Daily Papers

Deep generative models are a class of techniques that train deep neural networks to model the distribution of training samples. Research has fragmented into various interconnected approaches, each of which make trade-offs including run-time, diversity, and architectural restrictions. In particular, this compendium covers energy-based models, variational autoencoders, generative adversarial networks, autoregressive models, normalizing flows, in addition to numerous hybrid approaches. These techniques are compared and contrasted, explaining the premises behind each and how they are interrelated, while reviewing current state-of-the-art advances and implementations.

Protein design, a grand challenge of the day, involves optimization on a fitness landscape, and leading methods adopt a model-based approach where a model is trained on a training set (protein sequences and fitness) and proposes candidates to explore next. These methods are challenged by sparsity of high-fitness samples in the training set, a problem that has been in the literature. A less recognized but equally important problem stems from the distribution of training samples in the design space: leading methods are not designed for scenarios where the desired optimum is in a region that is not only poorly represented in training data, but also relatively far from the highly represented low-fitness regions. We show that this problem of "separation" in the design space is a significant bottleneck in existing model-based optimization tools and propose a new approach that uses a novel VAE as its search model to overcome the problem. We demonstrate its advantage over prior methods in robustly finding improved samples, regardless of the imbalance and separation between low- and high-fitness training samples. Our comprehensive benchmark on real and semi-synthetic protein datasets as well as solution design for physics-informed neural networks, showcases the generality of our approach in discrete and continuous design spaces. Our implementation is available at https://github.com/sabagh1994/PGVAE.

In this paper we study generative modeling via autoencoders while using the elegant geometric properties of the optimal transport (OT) problem and the Wasserstein distances. We introduce Sliced-Wasserstein Autoencoders (SWAE), which are generative models that enable one to shape the distribution of the latent space into any samplable probability distribution without the need for training an adversarial network or defining a closed-form for the distribution. In short, we regularize the autoencoder loss with the sliced-Wasserstein distance between the distribution of the encoded training samples and a predefined samplable distribution. We show that the proposed formulation has an efficient numerical solution that provides similar capabilities to Wasserstein Autoencoders (WAE) and Variational Autoencoders (VAE), while benefiting from an embarrassingly simple implementation.

Data plays a fundamental role in the training of Large Language Models (LLMs). While attention has been paid to the collection and composition of datasets, determining the data sampling strategy in training remains an open question. Most LLMs are trained with a simple strategy, random sampling. However, this sampling strategy ignores the unbalanced nature of training data distribution, which can be sub-optimal. In this paper, we propose ClusterClip Sampling to balance the text distribution of training data for better model training. Specifically, ClusterClip Sampling utilizes data clustering to reflect the data distribution of the training set and balances the common samples and rare samples during training based on the cluster results. A repetition clip operation is introduced to mitigate the overfitting issue led by samples from certain clusters. Extensive experiments validate the effectiveness of ClusterClip Sampling, which outperforms random sampling and other cluster-based sampling variants under various training datasets and large language models.

Progress on object detection is enabled by datasets that focus the research community's attention on open challenges. This process led us from simple images to complex scenes and from bounding boxes to segmentation masks. In this work, we introduce LVIS (pronounced `el-vis'): a new dataset for Large Vocabulary Instance Segmentation. We plan to collect ~2 million high-quality instance segmentation masks for over 1000 entry-level object categories in 164k images. Due to the Zipfian distribution of categories in natural images, LVIS naturally has a long tail of categories with few training samples. Given that state-of-the-art deep learning methods for object detection perform poorly in the low-sample regime, we believe that our dataset poses an important and exciting new scientific challenge. LVIS is available at http://www.lvisdataset.org.

Anomaly detection (AD) is a crucial machine learning task that aims to learn patterns from a set of normal training samples to identify abnormal samples in test data. Most existing AD studies assume that the training and test data are drawn from the same data distribution, but the test data can have large distribution shifts arising in many real-world applications due to different natural variations such as new lighting conditions, object poses, or background appearances, rendering existing AD methods ineffective in such cases. In this paper, we consider the problem of anomaly detection under distribution shift and establish performance benchmarks on three widely-used AD and out-of-distribution (OOD) generalization datasets. We demonstrate that simple adaptation of state-of-the-art OOD generalization methods to AD settings fails to work effectively due to the lack of labeled anomaly data. We further introduce a novel robust AD approach to diverse distribution shifts by minimizing the distribution gap between in-distribution and OOD normal samples in both the training and inference stages in an unsupervised way. Our extensive empirical results on the three datasets show that our approach substantially outperforms state-of-the-art AD methods and OOD generalization methods on data with various distribution shifts, while maintaining the detection accuracy on in-distribution data.

It is believed that in knowledge distillation (KD), the role of the teacher is to provide an estimate for the unknown Bayes conditional probability distribution (BCPD) to be used in the student training process. Conventionally, this estimate is obtained by training the teacher using maximum log-likelihood (MLL) method. To improve this estimate for KD, in this paper we introduce the concept of conditional mutual information (CMI) into the estimation of BCPD and propose a novel estimator called the maximum CMI (MCMI) method. Specifically, in MCMI estimation, both the log-likelihood and CMI of the teacher are simultaneously maximized when the teacher is trained. Through Eigen-CAM, it is further shown that maximizing the teacher's CMI value allows the teacher to capture more contextual information in an image cluster. Via conducting a thorough set of experiments, we show that by employing a teacher trained via MCMI estimation rather than one trained via MLL estimation in various state-of-the-art KD frameworks, the student's classification accuracy consistently increases, with the gain of up to 3.32\%. This suggests that the teacher's BCPD estimate provided by MCMI method is more accurate than that provided by MLL method. In addition, we show that such improvements in the student's accuracy are more drastic in zero-shot and few-shot settings. Notably, the student's accuracy increases with the gain of up to 5.72\% when 5\% of the training samples are available to the student (few-shot), and increases from 0\% to as high as 84\% for an omitted class (zero-shot). The code is available at https://github.com/iclr2024mcmi/ICLRMCMI.

The robust generalization of models to rare, in-distribution (ID) samples drawn from the long tail of the training distribution and to out-of-training-distribution (OOD) samples is one of the major challenges of current deep learning methods. For image classification, this manifests in the existence of adversarial attacks, the performance drops on distorted images, and a lack of generalization to concepts such as sketches. The current understanding of generalization in neural networks is very limited, but some biases that differentiate models from human vision have been identified and might be causing these limitations. Consequently, several attempts with varying success have been made to reduce these biases during training to improve generalization. We take a step back and sanity-check these attempts. Fixing the architecture to the well-established ResNet-50, we perform a large-scale study on 48 ImageNet models obtained via different training methods to understand how and if these biases - including shape bias, spectral biases, and critical bands - interact with generalization. Our extensive study results reveal that contrary to previous findings, these biases are insufficient to accurately predict the generalization of a model holistically. We provide access to all checkpoints and evaluation code at https://github.com/paulgavrikov/biases_vs_generalization

The usage of deep neural networks in safety-critical systems is limited by our ability to guarantee their correct behavior. Runtime monitors are components aiming to identify unsafe predictions and discard them before they can lead to catastrophic consequences. Several recent works on runtime monitoring have focused on out-of-distribution (OOD) detection, i.e., identifying inputs that are different from the training data. In this work, we argue that OOD detection is not a well-suited framework to design efficient runtime monitors and that it is more relevant to evaluate monitors based on their ability to discard incorrect predictions. We call this setting out-ofmodel-scope detection and discuss the conceptual differences with OOD. We also conduct extensive experiments on popular datasets from the literature to show that studying monitors in the OOD setting can be misleading: 1. very good OOD results can give a false impression of safety, 2. comparison under the OOD setting does not allow identifying the best monitor to detect errors. Finally, we also show that removing erroneous training data samples helps to train better monitors.

Network calibration aims to accurately estimate the level of confidences, which is particularly important for employing deep neural networks in real-world systems. Recent approaches leverage mixup to calibrate the network's predictions during training. However, they do not consider the problem that mixtures of labels in mixup may not accurately represent the actual distribution of augmented samples. In this paper, we present RankMixup, a novel mixup-based framework alleviating the problem of the mixture of labels for network calibration. To this end, we propose to use an ordinal ranking relationship between raw and mixup-augmented samples as an alternative supervisory signal to the label mixtures for network calibration. We hypothesize that the network should estimate a higher level of confidence for the raw samples than the augmented ones (Fig.1). To implement this idea, we introduce a mixup-based ranking loss (MRL) that encourages lower confidences for augmented samples compared to raw ones, maintaining the ranking relationship. We also propose to leverage the ranking relationship among multiple mixup-augmented samples to further improve the calibration capability. Augmented samples with larger mixing coefficients are expected to have higher confidences and vice versa (Fig.1). That is, the order of confidences should be aligned with that of mixing coefficients. To this end, we introduce a novel loss, M-NDCG, in order to reduce the number of misaligned pairs of the coefficients and confidences. Extensive experimental results on standard benchmarks for network calibration demonstrate the effectiveness of RankMixup.

The unsupervised 3D object detection is to accurately detect objects in unstructured environments with no explicit supervisory signals. This task, given sparse LiDAR point clouds, often results in compromised performance for detecting distant or small objects due to the inherent sparsity and limited spatial resolution. In this paper, we are among the early attempts to integrate LiDAR data with 2D images for unsupervised 3D detection and introduce a new method, dubbed LiDAR-2D Self-paced Learning (LiSe). We argue that RGB images serve as a valuable complement to LiDAR data, offering precise 2D localization cues, particularly when scarce LiDAR points are available for certain objects. Considering the unique characteristics of both modalities, our framework devises a self-paced learning pipeline that incorporates adaptive sampling and weak model aggregation strategies. The adaptive sampling strategy dynamically tunes the distribution of pseudo labels during training, countering the tendency of models to overfit easily detected samples, such as nearby and large-sized objects. By doing so, it ensures a balanced learning trajectory across varying object scales and distances. The weak model aggregation component consolidates the strengths of models trained under different pseudo label distributions, culminating in a robust and powerful final model. Experimental evaluations validate the efficacy of our proposed LiSe method, manifesting significant improvements of +7.1% AP_{BEV} and +3.4% AP_{3D} on nuScenes, and +8.3% AP_{BEV} and +7.4% AP_{3D} on Lyft compared to existing techniques.

The costly and time-consuming annotation process to produce large training sets for modelling semantic LiDAR segmentation methods has motivated the development of semi-supervised learning (SSL) methods. However, such SSL approaches often concentrate on employing consistency learning only for individual LiDAR representations. This narrow focus results in limited perturbations that generally fail to enable effective consistency learning. Additionally, these SSL approaches employ contrastive learning based on the sampling from a limited set of positive and negative embedding samples. This paper introduces a novel semi-supervised LiDAR semantic segmentation framework called ItTakesTwo (IT2). IT2 is designed to ensure consistent predictions from peer LiDAR representations, thereby improving the perturbation effectiveness in consistency learning. Furthermore, our contrastive learning employs informative samples drawn from a distribution of positive and negative embeddings learned from the entire training set. Results on public benchmarks show that our approach achieves remarkable improvements over the previous state-of-the-art (SOTA) methods in the field. The code is available at: https://github.com/yyliu01/IT2.

Deep neural networks can be exploited using natural adversarial samples, which do not impact human perception. Current approaches often rely on deep neural networks' white-box nature to generate these adversarial samples or synthetically alter the distribution of adversarial samples compared to the training distribution. In contrast, we propose EvoSeed, a novel evolutionary strategy-based algorithmic framework for generating photo-realistic natural adversarial samples. Our EvoSeed framework uses auxiliary Conditional Diffusion and Classifier models to operate in a black-box setting. We employ CMA-ES to optimize the search for an initial seed vector, which, when processed by the Conditional Diffusion Model, results in the natural adversarial sample misclassified by the Classifier Model. Experiments show that generated adversarial images are of high image quality, raising concerns about generating harmful content bypassing safety classifiers. Our research opens new avenues to understanding the limitations of current safety mechanisms and the risk of plausible attacks against classifier systems using image generation. Project Website can be accessed at: https://shashankkotyan.github.io/EvoSeed.

Detecting test samples drawn sufficiently far away from the training distribution statistically or adversarially is a fundamental requirement for deploying a good classifier in many real-world machine learning applications. However, deep neural networks with the softmax classifier are known to produce highly overconfident posterior distributions even for such abnormal samples. In this paper, we propose a simple yet effective method for detecting any abnormal samples, which is applicable to any pre-trained softmax neural classifier. We obtain the class conditional Gaussian distributions with respect to (low- and upper-level) features of the deep models under Gaussian discriminant analysis, which result in a confidence score based on the Mahalanobis distance. While most prior methods have been evaluated for detecting either out-of-distribution or adversarial samples, but not both, the proposed method achieves the state-of-the-art performances for both cases in our experiments. Moreover, we found that our proposed method is more robust in harsh cases, e.g., when the training dataset has noisy labels or small number of samples. Finally, we show that the proposed method enjoys broader usage by applying it to class-incremental learning: whenever out-of-distribution samples are detected, our classification rule can incorporate new classes well without further training deep models.

Diffusion models have achieved great success in image generation tasks through iterative noise estimation. However, the heavy denoising process and complex neural networks hinder their low-latency applications in real-world scenarios. Quantization can effectively reduce model complexity, and post-training quantization (PTQ), which does not require fine-tuning, is highly promising in accelerating the denoising process. Unfortunately, we find that due to the highly dynamic distribution of activations in different denoising steps, existing PTQ methods for diffusion models suffer from distribution mismatch issues at both calibration sample level and reconstruction output level, which makes the performance far from satisfactory, especially in low-bit cases. In this paper, we propose Enhanced Distribution Alignment for Post-Training Quantization of Diffusion Models (EDA-DM) to address the above issues. Specifically, at the calibration sample level, we select calibration samples based on the density and diversity in the latent space, thus facilitating the alignment of their distribution with the overall samples; and at the reconstruction output level, we propose Fine-grained Block Reconstruction, which can align the outputs of the quantized model and the full-precision model at different network granularity. Extensive experiments demonstrate that EDA-DM outperforms the existing post-training quantization frameworks in both unconditional and conditional generation scenarios. At low-bit precision, the quantized models with our method even outperform the full-precision models on most datasets.

Out-of-distribution (OOD) detection aims to detect testing samples far away from the in-distribution (ID) training data, which is crucial for the safe deployment of machine learning models in the real world. Distance-based OOD detection methods have emerged with enhanced deep representation learning. They identify unseen OOD samples by measuring their distances from ID class centroids or prototypes. However, existing approaches learn the representation relying on oversimplified data assumptions, e.g, modeling ID data of each class with one centroid class prototype or using loss functions not designed for OOD detection, which overlook the natural diversities within the data. Naively enforcing data samples of each class to be compact around only one prototype leads to inadequate modeling of realistic data and limited performance. To tackle these issues, we propose PrototypicAl Learning with a Mixture of prototypes (PALM) which models each class with multiple prototypes to capture the sample diversities, and learns more faithful and compact samples embeddings to enhance OOD detection. Our method automatically identifies and dynamically updates prototypes, assigning each sample to a subset of prototypes via reciprocal neighbor soft assignment weights. PALM optimizes a maximum likelihood estimation (MLE) loss to encourage the sample embeddings to be compact around the associated prototypes, as well as a contrastive loss on all prototypes to enhance intra-class compactness and inter-class discrimination at the prototype level. Moreover, the automatic estimation of prototypes enables our approach to be extended to the challenging OOD detection task with unlabelled ID data. Extensive experiments demonstrate the superiority of PALM, achieving state-of-the-art average AUROC performance of 93.82 on the challenging CIFAR-100 benchmark. Code is available at https://github.com/jeff024/PALM.

We expect the generalization error to improve with more samples from a similar task, and to deteriorate with more samples from an out-of-distribution (OOD) task. In this work, we show a counter-intuitive phenomenon: the generalization error of a task can be a non-monotonic function of the number of OOD samples. As the number of OOD samples increases, the generalization error on the target task improves before deteriorating beyond a threshold. In other words, there is value in training on small amounts of OOD data. We use Fisher's Linear Discriminant on synthetic datasets and deep networks on computer vision benchmarks such as MNIST, CIFAR-10, CINIC-10, PACS and DomainNet to demonstrate and analyze this phenomenon. In the idealistic setting where we know which samples are OOD, we show that these non-monotonic trends can be exploited using an appropriately weighted objective of the target and OOD empirical risk. While its practical utility is limited, this does suggest that if we can detect OOD samples, then there may be ways to benefit from them. When we do not know which samples are OOD, we show how a number of go-to strategies such as data-augmentation, hyper-parameter optimization, and pre-training are not enough to ensure that the target generalization error does not deteriorate with the number of OOD samples in the dataset.

As deep neural networks become adopted in high-stakes domains, it is crucial to be able to identify when inference inputs are Out-of-Distribution (OOD) so that users can be alerted of likely drops in performance and calibration despite high confidence. Among many others, existing methods use the following two scores to do so without training on any apriori OOD examples: a learned temperature and an energy score. In this paper we introduce Ablated Learned Temperature Energy (or "AbeT" for short), a method which combines these prior methods in novel ways with effective modifications. Due to these contributions, AbeT lowers the False Positive Rate at 95% True Positive Rate (FPR@95) by 35.39% in classification (averaged across all ID and OOD datasets measured) compared to state of the art without training networks in multiple stages or requiring hyperparameters or test-time backward passes. We additionally provide empirical insights as to how our model learns to distinguish between In-Distribution (ID) and OOD samples while only being explicitly trained on ID samples via exposure to misclassified ID examples at training time. Lastly, we show the efficacy of our method in identifying predicted bounding boxes and pixels corresponding to OOD objects in object detection and semantic segmentation, respectively - with an AUROC increase of 5.15% in object detection and both a decrease in FPR@95 of 41.48% and an increase in AUPRC of 34.20% on average in semantic segmentation compared to previous state of the art.

Real-world classifiers can benefit from the option of abstaining from predicting on samples where they have low confidence. Such abstention is particularly useful on samples which are close to the learned decision boundary, or which are outliers with respect to the training sample. These settings have been the subject of extensive but disjoint study in the selective classification (SC) and out-of-distribution (OOD) detection literature. Recent work on selective classification with OOD detection (SCOD) has argued for the unified study of these problems; however, the formal underpinnings of this problem are still nascent, and existing techniques are heuristic in nature. In this paper, we propose new plugin estimators for SCOD that are theoretically grounded, effective, and generalise existing approaches from the SC and OOD detection literature. In the course of our analysis, we formally explicate how na\"{i}ve use of existing SC and OOD detection baselines may be inadequate for SCOD. We empirically demonstrate that our approaches yields competitive SC and OOD detection performance compared to baselines from both literatures.

Many real-world scenarios in which DNN-based recognition systems are deployed have inherently fine-grained attributes (e.g., bird-species recognition, medical image classification). In addition to achieving reliable accuracy, a critical subtask for these models is to detect Out-of-distribution (OOD) inputs. Given the nature of the deployment environment, one may expect such OOD inputs to also be fine-grained w.r.t. the known classes (e.g., a novel bird species), which are thus extremely difficult to identify. Unfortunately, OOD detection in fine-grained scenarios remains largely underexplored. In this work, we aim to fill this gap by first carefully constructing four large-scale fine-grained test environments, in which existing methods are shown to have difficulties. Particularly, we find that even explicitly incorporating a diverse set of auxiliary outlier data during training does not provide sufficient coverage over the broad region where fine-grained OOD samples locate. We then propose Mixture Outlier Exposure (MixOE), which mixes ID data and training outliers to expand the coverage of different OOD granularities, and trains the model such that the prediction confidence linearly decays as the input transitions from ID to OOD. Extensive experiments and analyses demonstrate the effectiveness of MixOE for building up OOD detector in fine-grained environments. The code is available at https://github.com/zjysteven/MixOE.

Semantic segmentation methods have advanced significantly. Still, their robustness to real-world perturbations and object types not seen during training remains a challenge, particularly in safety-critical applications. We propose a novel approach to improve the robustness of semantic segmentation techniques by leveraging the synergy between label-to-image generators and image-to-label segmentation models. Specifically, we design Robusta, a novel robust conditional generative adversarial network to generate realistic and plausible perturbed images that can be used to train reliable segmentation models. We conduct in-depth studies of the proposed generative model, assess the performance and robustness of the downstream segmentation network, and demonstrate that our approach can significantly enhance the robustness in the face of real-world perturbations, distribution shifts, and out-of-distribution samples. Our results suggest that this approach could be valuable in safety-critical applications, where the reliability of perception modules such as semantic segmentation is of utmost importance and comes with a limited computational budget in inference. We release our code at https://github.com/ENSTA-U2IS/robusta.

The correlation between the vision and text is essential for video moment retrieval (VMR), however, existing methods heavily rely on separate pre-training feature extractors for visual and textual understanding. Without sufficient temporal boundary annotations, it is non-trivial to learn universal video-text alignments. In this work, we explore multi-modal correlations derived from large-scale image-text data to facilitate generalisable VMR. To address the limitations of image-text pre-training models on capturing the video changes, we propose a generic method, referred to as Visual-Dynamic Injection (VDI), to empower the model's understanding of video moments. Whilst existing VMR methods are focusing on building temporal-aware video features, being aware of the text descriptions about the temporal changes is also critical but originally overlooked in pre-training by matching static images with sentences. Therefore, we extract visual context and spatial dynamic information from video frames and explicitly enforce their alignments with the phrases describing video changes (e.g. verb). By doing so, the potentially relevant visual and motion patterns in videos are encoded in the corresponding text embeddings (injected) so to enable more accurate video-text alignments. We conduct extensive experiments on two VMR benchmark datasets (Charades-STA and ActivityNet-Captions) and achieve state-of-the-art performances. Especially, VDI yields notable advantages when being tested on the out-of-distribution splits where the testing samples involve novel scenes and vocabulary.

Diffusion models have emerged as a pivotal advancement in generative models, setting new standards to the quality of the generated instances. In the current paper we aim to underscore a discrepancy between conventional training methods and the desired conditional sampling behavior of these models. While the prevalent classifier-free guidance technique works well, it's not without flaws. At higher values for the guidance scale parameter w, we often get out of distribution samples and mode collapse, whereas at lower values for w we may not get the desired specificity. To address these challenges, we introduce an updated loss function that better aligns training objectives with sampling behaviors. Experimental validation with FID scores on CIFAR-10 elucidates our method's ability to produce higher quality samples with fewer sampling timesteps, and be more robust to the choice of guidance scale w. We also experiment with fine-tuning Stable Diffusion on the proposed loss, to provide early evidence that large diffusion models may also benefit from this refined loss function.

Out-of-distribution (OOD) object detection is a challenging task due to the absence of open-set OOD data. Inspired by recent advancements in text-to-image generative models, such as Stable Diffusion, we study the potential of generative models trained on large-scale open-set data to synthesize OOD samples, thereby enhancing OOD object detection. We introduce SyncOOD, a simple data curation method that capitalizes on the capabilities of large foundation models to automatically extract meaningful OOD data from text-to-image generative models. This offers the model access to open-world knowledge encapsulated within off-the-shelf foundation models. The synthetic OOD samples are then employed to augment the training of a lightweight, plug-and-play OOD detector, thus effectively optimizing the in-distribution (ID)/OOD decision boundaries. Extensive experiments across multiple benchmarks demonstrate that SyncOOD significantly outperforms existing methods, establishing new state-of-the-art performance with minimal synthetic data usage.

A crucial requirement for reliable deployment of deep learning models for safety-critical applications is the ability to identify out-of-distribution (OOD) data points, samples which differ from the training data and on which a model might underperform. Previous work has attempted to tackle this problem using uncertainty estimation techniques. However, there is empirical evidence that a large family of these techniques do not detect OOD reliably in classification tasks. This paper gives a theoretical explanation for said experimental findings and illustrates it on synthetic data. We prove that such techniques are not able to reliably identify OOD samples in a classification setting, since their level of confidence is generalized to unseen areas of the feature space. This result stems from the interplay between the representation of ReLU networks as piece-wise affine transformations, the saturating nature of activation functions like softmax, and the most widely-used uncertainty metrics.

We present TraDE, a self-attention-based architecture for auto-regressive density estimation with continuous and discrete valued data. Our model is trained using a penalized maximum likelihood objective, which ensures that samples from the density estimate resemble the training data distribution. The use of self-attention means that the model need not retain conditional sufficient statistics during the auto-regressive process beyond what is needed for each covariate. On standard tabular and image data benchmarks, TraDE produces significantly better density estimates than existing approaches such as normalizing flow estimators and recurrent auto-regressive models. However log-likelihood on held-out data only partially reflects how useful these estimates are in real-world applications. In order to systematically evaluate density estimators, we present a suite of tasks such as regression using generated samples, out-of-distribution detection, and robustness to noise in the training data and demonstrate that TraDE works well in these scenarios.

We present SURE-Score: an approach for learning score-based generative models using training samples corrupted by additive Gaussian noise. When a large training set of clean samples is available, solving inverse problems via score-based (diffusion) generative models trained on the underlying fully-sampled data distribution has recently been shown to outperform end-to-end supervised deep learning. In practice, such a large collection of training data may be prohibitively expensive to acquire in the first place. In this work, we present an approach for approximately learning a score-based generative model of the clean distribution, from noisy training data. We formulate and justify a novel loss function that leverages Stein's unbiased risk estimate to jointly denoise the data and learn the score function via denoising score matching, while using only the noisy samples. We demonstrate the generality of SURE-Score by learning priors and applying posterior sampling to ill-posed inverse problems in two practical applications from different domains: compressive wireless multiple-input multiple-output channel estimation and accelerated 2D multi-coil magnetic resonance imaging reconstruction, where we demonstrate competitive reconstruction performance when learning at signal-to-noise ratio values of 0 and 10 dB, respectively.

Colloquially speaking, image generation models based upon diffusion processes are frequently said to exhibit "hallucinations," samples that could never occur in the training data. But where do such hallucinations come from? In this paper, we study a particular failure mode in diffusion models, which we term mode interpolation. Specifically, we find that diffusion models smoothly "interpolate" between nearby data modes in the training set, to generate samples that are completely outside the support of the original training distribution; this phenomenon leads diffusion models to generate artifacts that never existed in real data (i.e., hallucinations). We systematically study the reasons for, and the manifestation of this phenomenon. Through experiments on 1D and 2D Gaussians, we show how a discontinuous loss landscape in the diffusion model's decoder leads to a region where any smooth approximation will cause such hallucinations. Through experiments on artificial datasets with various shapes, we show how hallucination leads to the generation of combinations of shapes that never existed. Finally, we show that diffusion models in fact know when they go out of support and hallucinate. This is captured by the high variance in the trajectory of the generated sample towards the final few backward sampling process. Using a simple metric to capture this variance, we can remove over 95% of hallucinations at generation time while retaining 96% of in-support samples. We conclude our exploration by showing the implications of such hallucination (and its removal) on the collapse (and stabilization) of recursive training on synthetic data with experiments on MNIST and 2D Gaussians dataset. We release our code at https://github.com/locuslab/diffusion-model-hallucination.

Conditional sound separation in multi-source audio mixtures without having access to single source sound data during training is a long standing challenge. Existing mix-and-separate based methods suffer from significant performance drop with multi-source training mixtures due to the lack of supervision signal for single source separation cases during training. However, in the case of language-conditional audio separation, we do have access to corresponding text descriptions for each audio mixture in our training data, which can be seen as (rough) representations of the audio samples in the language modality. To this end, in this paper, we propose a generic bi-modal separation framework which can enhance the existing unsupervised frameworks to separate single-source signals in a target modality (i.e., audio) using the easily separable corresponding signals in the conditioning modality (i.e., language), without having access to single-source samples in the target modality during training. We empirically show that this is well within reach if we have access to a pretrained joint embedding model between the two modalities (i.e., CLAP). Furthermore, we propose to incorporate our framework into two fundamental scenarios to enhance separation performance. First, we show that our proposed methodology significantly improves the performance of purely unsupervised baselines by reducing the distribution shift between training and test samples. In particular, we show that our framework can achieve 71% boost in terms of Signal-to-Distortion Ratio (SDR) over the baseline, reaching 97.5% of the supervised learning performance. Second, we show that we can further improve the performance of the supervised learning itself by 17% if we augment it by our proposed weakly-supervised framework, that enables a powerful semi-supervised framework for audio separation.

Training a generative model with limited number of samples is a challenging task. Current methods primarily rely on few-shot model adaption to train the network. However, in scenarios where data is extremely limited (less than 10), the generative network tends to overfit and suffers from content degradation. To address these problems, we propose a novel phasic content fusing few-shot diffusion model with directional distribution consistency loss, which targets different learning objectives at distinct training stages of the diffusion model. Specifically, we design a phasic training strategy with phasic content fusion to help our model learn content and style information when t is large, and learn local details of target domain when t is small, leading to an improvement in the capture of content, style and local details. Furthermore, we introduce a novel directional distribution consistency loss that ensures the consistency between the generated and source distributions more efficiently and stably than the prior methods, preventing our model from overfitting. Finally, we propose a cross-domain structure guidance strategy that enhances structure consistency during domain adaptation. Theoretical analysis, qualitative and quantitative experiments demonstrate the superiority of our approach in few-shot generative model adaption tasks compared to state-of-the-art methods. The source code is available at: https://github.com/sjtuplayer/few-shot-diffusion.

Since real-world training datasets cannot properly sample the long tail of the underlying data distribution, corner cases and rare out-of-domain samples can severely hinder the performance of state-of-the-art models. This problem becomes even more severe for dense tasks, such as 3D semantic segmentation, where points of non-standard objects can be confidently associated to the wrong class. In this work, we focus on improving the generalization to out-of-domain data. We achieve this by augmenting the training set with adversarial examples. First, we learn a set of vectors that deform the objects in an adversarial fashion. To prevent the adversarial examples from being too far from the existing data distribution, we preserve their plausibility through a series of constraints, ensuring sensor-awareness and shapes smoothness. Then, we perform adversarial augmentation by applying the learned sample-independent vectors to the available objects when training a model. We conduct extensive experiments across a variety of scenarios on data from KITTI, Waymo, and CrashD for 3D object detection, and on data from SemanticKITTI, Waymo, and nuScenes for 3D semantic segmentation. Despite training on a standard single dataset, our approach substantially improves the robustness and generalization of both 3D object detection and 3D semantic segmentation methods to out-of-domain data.

Data pruning aims to obtain lossless performances with less overall cost. A common approach is to filter out samples that make less contribution to the training. This could lead to gradient expectation bias compared to the original data. To solve this problem, we propose InfoBatch, a novel framework aiming to achieve lossless training acceleration by unbiased dynamic data pruning. Specifically, InfoBatch randomly prunes a portion of less informative samples based on the loss distribution and rescales the gradients of the remaining samples to approximate the original gradient. As a plug-and-play and architecture-agnostic framework, InfoBatch consistently obtains lossless training results on classification, semantic segmentation, vision pertaining, and instruction fine-tuning tasks. On CIFAR10/100, ImageNet-1K, and ADE20K, InfoBatch losslessly saves 40\% overall cost. For pertaining MAE and diffusion model, InfoBatch can respectively save 24.8\% and 27\% cost. For LLaMA instruction fine-tuning, InfoBatch is also able to save 20\% cost and is compatible with coreset selection methods. The code is publicly available at https://github.com/henryqin1997/InfoBatch{github.com/NUS-HPC-AI-Lab/InfoBatch}.

Datasets scraped from the internet have been critical to the successes of large-scale machine learning. Yet, this very success puts the utility of future internet-derived datasets at potential risk, as model outputs begin to replace human annotations as a source of supervision. In this work, we first formalize a system where interactions with one model are recorded as history and scraped as training data in the future. We then analyze its stability over time by tracking changes to a test-time bias statistic (e.g. gender bias of model predictions). We find that the degree of bias amplification is closely linked to whether the model's outputs behave like samples from the training distribution, a behavior which we characterize and define as consistent calibration. Experiments in three conditional prediction scenarios - image classification, visual role-labeling, and language generation - demonstrate that models that exhibit a sampling-like behavior are more calibrated and thus more stable. Based on this insight, we propose an intervention to help calibrate and stabilize unstable feedback systems. Code is available at https://github.com/rtaori/data_feedback.

Skin lesion datasets consist predominantly of normal samples with only a small percentage of abnormal ones, giving rise to the class imbalance problem. Also, skin lesion images are largely similar in overall appearance owing to the low inter-class variability. In this paper, we propose a two-stage framework for automatic classification of skin lesion images using adversarial training and transfer learning toward melanoma detection. In the first stage, we leverage the inter-class variation of the data distribution for the task of conditional image synthesis by learning the inter-class mapping and synthesizing under-represented class samples from the over-represented ones using unpaired image-to-image translation. In the second stage, we train a deep convolutional neural network for skin lesion classification using the original training set combined with the newly synthesized under-represented class samples. The training of this classifier is carried out by minimizing the focal loss function, which assists the model in learning from hard examples, while down-weighting the easy ones. Experiments conducted on a dermatology image benchmark demonstrate the superiority of our proposed approach over several standard baseline methods, achieving significant performance improvements. Interestingly, we show through feature visualization and analysis that our method leads to context based lesion assessment that can reach an expert dermatologist level.

Despite the impressive performance of deep networks in vision, language, and healthcare, unpredictable behaviors on samples from the distribution different than the training distribution cause severe problems in deployment. For better reliability of neural-network-based classifiers, we define a new task, natural attribute-based shift (NAS) detection, to detect the samples shifted from the training distribution by some natural attribute such as age of subjects or brightness of images. Using the natural attributes present in existing datasets, we introduce benchmark datasets in vision, language, and medical for NAS detection. Further, we conduct an extensive evaluation of prior representative out-of-distribution (OOD) detection methods on NAS datasets and observe an inconsistency in their performance. To understand this, we provide an analysis on the relationship between the location of NAS samples in the feature space and the performance of distance- and confidence-based OOD detection methods. Based on the analysis, we split NAS samples into three categories and further suggest a simple modification to the training objective to obtain an improved OOD detection method that is capable of detecting samples from all NAS categories.

Generative adversarial network (GAN) models can synthesize highquality audio signals while ensuring fast sample generation. However, they are difficult to train and are prone to several issues including mode collapse and divergence. In this paper, we introduce SpecDiff-GAN, a neural vocoder based on HiFi-GAN, which was initially devised for speech synthesis from mel spectrogram. In our model, the training stability is enhanced by means of a forward diffusion process which consists in injecting noise from a Gaussian distribution to both real and fake samples before inputting them to the discriminator. We further improve the model by exploiting a spectrally-shaped noise distribution with the aim to make the discriminator's task more challenging. We then show the merits of our proposed model for speech and music synthesis on several datasets. Our experiments confirm that our model compares favorably in audio quality and efficiency compared to several baselines.

Training state-of-the-art vision models has become prohibitively expensive for researchers and practitioners. For the sake of accessibility and resource reuse, it is important to focus on adapting these models to a variety of downstream scenarios. An interesting and practical paradigm is online test-time adaptation, according to which training data is inaccessible, no labelled data from the test distribution is available, and adaptation can only happen at test time and on a handful of samples. In this paper, we investigate how test-time adaptation methods fare for a number of pre-trained models on a variety of real-world scenarios, significantly extending the way they have been originally evaluated. We show that they perform well only in narrowly-defined experimental setups and sometimes fail catastrophically when their hyperparameters are not selected for the same scenario in which they are being tested. Motivated by the inherent uncertainty around the conditions that will ultimately be encountered at test time, we propose a particularly "conservative" approach, which addresses the problem with a Laplacian Adjusted Maximum-likelihood Estimation (LAME) objective. By adapting the model's output (not its parameters), and solving our objective with an efficient concave-convex procedure, our approach exhibits a much higher average accuracy across scenarios than existing methods, while being notably faster and have a much lower memory footprint. The code is available at https://github.com/fiveai/LAME.

Synthetic image datasets offer unmatched advantages for designing and evaluating deep neural networks: they make it possible to (i) render as many data samples as needed, (ii) precisely control each scene and yield granular ground truth labels (and captions), (iii) precisely control distribution shifts between training and testing to isolate variables of interest for sound experimentation. Despite such promise, the use of synthetic image data is still limited -- and often played down -- mainly due to their lack of realism. Most works therefore rely on datasets of real images, which have often been scraped from public images on the internet, and may have issues with regards to privacy, bias, and copyright, while offering little control over how objects precisely appear. In this work, we present a path to democratize the use of photorealistic synthetic data: we develop a new generation of interactive environments for representation learning research, that offer both controllability and realism. We use the Unreal Engine, a powerful game engine well known in the entertainment industry, to produce PUG (Photorealistic Unreal Graphics) environments and datasets for representation learning. In this paper, we demonstrate the potential of PUG to enable more rigorous evaluations of vision models.

Scene Graph Generation (SGG) aims to detect all the visual relation triplets <sub, pred, obj> in a given image. With the emergence of various advanced techniques for better utilizing both the intrinsic and extrinsic information in each relation triplet, SGG has achieved great progress over the recent years. However, due to the ubiquitous long-tailed predicate distributions, today's SGG models are still easily biased to the head predicates. Currently, the most prevalent debiasing solutions for SGG are re-balancing methods, e.g., changing the distributions of original training samples. In this paper, we argue that all existing re-balancing strategies fail to increase the diversity of the relation triplet features of each predicate, which is critical for robust SGG. To this end, we propose a novel Compositional Feature Augmentation (CFA) strategy, which is the first unbiased SGG work to mitigate the bias issue from the perspective of increasing the diversity of triplet features. Specifically, we first decompose each relation triplet feature into two components: intrinsic feature and extrinsic feature, which correspond to the intrinsic characteristics and extrinsic contexts of a relation triplet, respectively. Then, we design two different feature augmentation modules to enrich the feature diversity of original relation triplets by replacing or mixing up either their intrinsic or extrinsic features from other samples. Due to its model-agnostic nature, CFA can be seamlessly incorporated into various SGG frameworks. Extensive ablations have shown that CFA achieves a new state-of-the-art performance on the trade-off between different metrics.

Supervised learning is often affected by a covariate shift in which the marginal distributions of instances (covariates x) of training and testing samples p_tr(x) and p_te(x) are different but the label conditionals coincide. Existing approaches address such covariate shift by either using the ratio p_te(x)/p_tr(x) to weight training samples (reweighted methods) or using the ratio p_tr(x)/p_te(x) to weight testing samples (robust methods). However, the performance of such approaches can be poor under support mismatch or when the above ratios take large values. We propose a minimax risk classification (MRC) approach for covariate shift adaptation that avoids such limitations by weighting both training and testing samples. In addition, we develop effective techniques that obtain both sets of weights and generalize the conventional kernel mean matching method. We provide novel generalization bounds for our method that show a significant increase in the effective sample size compared with reweighted methods. The proposed method also achieves enhanced classification performance in both synthetic and empirical experiments.

Generating novel molecules with higher properties than the training space, namely the out-of-distribution generation, is important for {de~novo} drug design. However, it is not easy for distribution learning-based models, for example diffusion models, to solve this challenge as these methods are designed to fit the distribution of training data as close as possible. In this paper, we show that Bayesian flow network is capable of effortlessly generating high quality out-of-distribution samples that meet several scenarios. We introduce a semi-autoregressive training/sampling method that helps to enhance the model performance and surpass the state-of-the-art models.

The focus of this study is to evaluate the effectiveness of Machine Learning (ML) methods for two-sample testing with right-censored observations. To achieve this, we develop several ML-based methods with varying architectures and implement them as two-sample tests. Each method is an ensemble (stacking) that combines predictions from classical two-sample tests. This paper presents the results of training the proposed ML methods, examines their statistical power compared to classical two-sample tests, analyzes the distribution of test statistics for the proposed methods when the null hypothesis is true, and evaluates the significance of the features incorporated into the proposed methods. All results from numerical experiments were obtained from a synthetic dataset generated using the Smirnov transform (Inverse Transform Sampling) and replicated multiple times through Monte Carlo simulation. To test the two-sample problem with right-censored observations, one can use the proposed two-sample methods. All necessary materials (source code, example scripts, dataset, and samples) are available on GitHub and Hugging Face.

Recent empirical studies have demonstrated that diffusion models can effectively learn the image distribution and generate new samples. Remarkably, these models can achieve this even with a small number of training samples despite a large image dimension, circumventing the curse of dimensionality. In this work, we provide theoretical insights into this phenomenon by leveraging key empirical observations: (i) the low intrinsic dimensionality of image data, (ii) a union of manifold structure of image data, and (iii) the low-rank property of the denoising autoencoder in trained diffusion models. These observations motivate us to assume the underlying data distribution of image data as a mixture of low-rank Gaussians and to parameterize the denoising autoencoder as a low-rank model according to the score function of the assumed distribution. With these setups, we rigorously show that optimizing the training loss of diffusion models is equivalent to solving the canonical subspace clustering problem over the training samples. Based on this equivalence, we further show that the minimal number of samples required to learn the underlying distribution scales linearly with the intrinsic dimensions under the above data and model assumptions. This insight sheds light on why diffusion models can break the curse of dimensionality and exhibit the phase transition in learning distributions. Moreover, we empirically establish a correspondence between the subspaces and the semantic representations of image data, facilitating image editing. We validate these results with corroborated experimental results on both simulated distributions and image datasets.

Facial expression recognition (FER) remains a challenging task due to the ambiguity of expressions. The derived noisy labels significantly harm the performance in real-world scenarios. To address this issue, we present a new FER model named Landmark-Aware Net~(LA-Net), which leverages facial landmarks to mitigate the impact of label noise from two perspectives. Firstly, LA-Net uses landmark information to suppress the uncertainty in expression space and constructs the label distribution of each sample by neighborhood aggregation, which in turn improves the quality of training supervision. Secondly, the model incorporates landmark information into expression representations using the devised expression-landmark contrastive loss. The enhanced expression feature extractor can be less susceptible to label noise. Our method can be integrated with any deep neural network for better training supervision without introducing extra inference costs. We conduct extensive experiments on both in-the-wild datasets and synthetic noisy datasets and demonstrate that LA-Net achieves state-of-the-art performance.

Recently, partial Bayesian neural networks (pBNNs), which only consider a subset of the parameters to be stochastic, were shown to perform competitively with full Bayesian neural networks. However, pBNNs are often multi-modal in the latent-variable space and thus challenging to approximate with parametric models. To address this problem, we propose an efficient sampling-based training strategy, wherein the training of a pBNN is formulated as simulating a Feynman--Kac model. We then describe variations of sequential Monte Carlo samplers that allow us to simultaneously estimate the parameters and the latent posterior distribution of this model at a tractable computational cost. We show on various synthetic and real-world datasets that our proposed training scheme outperforms the state of the art in terms of predictive performance.

Data-free quantization (DFQ) recovers the performance of quantized network (Q) without the original data, but generates the fake sample via a generator (G) by learning from full-precision network (P), which, however, is totally independent of Q, overlooking the adaptability of the knowledge from generated samples, i.e., informative or not to the learning process of Q, resulting into the overflow of generalization error. Building on this, several critical questions -- how to measure the sample adaptability to Q under varied bit-width scenarios? whether the largest adaptability is the best? how to generate the samples with adaptive adaptability to improve Q's generalization? To answer the above questions, in this paper, we propose an Adaptive Data-Free Quantization (AdaDFQ) method, which revisits DFQ from a zero-sum game perspective upon the sample adaptability between two players -- a generator and a quantized network. Following this viewpoint, we further define the disagreement and agreement samples to form two boundaries, where the margin is optimized to adaptively regulate the adaptability of generated samples to Q, so as to address the over-and-under fitting issues. Our AdaDFQ reveals: 1) the largest adaptability is NOT the best for sample generation to benefit Q's generalization; 2) the knowledge of the generated sample should not be informative to Q only, but also related to the category and distribution information of the training data for P. The theoretical and empirical analysis validate the advantages of AdaDFQ over the state-of-the-arts. Our code is available at https://github.com/hfutqian/AdaDFQ.

Generalized Zero-Shot Learning (GZSL) is a challenging topic that has promising prospects in many realistic scenarios. Using a gating mechanism that discriminates the unseen samples from the seen samples can decompose the GZSL problem to a conventional Zero-Shot Learning (ZSL) problem and a supervised classification problem. However, training the gate is usually challenging due to the lack of data in the unseen domain. To resolve this problem, in this paper, we propose a boundary based Out-of-Distribution (OOD) classifier which classifies the unseen and seen domains by only using seen samples for training. First, we learn a shared latent space on a unit hyper-sphere where the latent distributions of visual features and semantic attributes are aligned class-wisely. Then we find the boundary and the center of the manifold for each class. By leveraging the class centers and boundaries, the unseen samples can be separated from the seen samples. After that, we use two experts to classify the seen and unseen samples separately. We extensively validate our approach on five popular benchmark datasets including AWA1, AWA2, CUB, FLO and SUN. The experimental results demonstrate the advantages of our approach over state-of-the-art methods.

Large pre-trained language models achieve impressive results across many tasks. However, recent works point out that pre-trained language models may memorize a considerable fraction of their training data, leading to the privacy risk of information leakage. In this paper, we propose a method named Ethicist for targeted training data extraction through loss smoothed soft prompting and calibrated confidence estimation, investigating how to recover the suffix in the training data when given a prefix. To elicit memorization in the attacked model, we tune soft prompt embeddings while keeping the model fixed. We further propose a smoothing loss that smooths the loss distribution of the suffix tokens to make it easier to sample the correct suffix. In order to select the most probable suffix from a collection of sampled suffixes and estimate the prediction confidence, we propose a calibrated confidence estimation method, which normalizes the confidence of the generated suffixes with a local estimation. We show that Ethicist significantly improves the extraction performance on a recently proposed public benchmark. We also investigate several factors influencing the data extraction performance, including decoding strategy, model scale, prefix length, and suffix length. Our code is available at https://github.com/thu-coai/Targeted-Data-Extraction.

We study the problem of training diffusion models to sample from a distribution with a given unnormalized density or energy function. We benchmark several diffusion-structured inference methods, including simulation-based variational approaches and off-policy methods (continuous generative flow networks). Our results shed light on the relative advantages of existing algorithms while bringing into question some claims from past work. We also propose a novel exploration strategy for off-policy methods, based on local search in the target space with the use of a replay buffer, and show that it improves the quality of samples on a variety of target distributions. Our code for the sampling methods and benchmarks studied is made public at https://github.com/GFNOrg/gfn-diffusion as a base for future work on diffusion models for amortized inference.

In contrastive learning, two views of an original image, generated by different augmentations, are considered a positive pair, and their similarity is required to be high. Similarly, two views of distinct images form a negative pair, with encouraged low similarity. Typically, a single similarity measure, provided by a lone projection head, evaluates positive and negative sample pairs. However, due to diverse augmentation strategies and varying intra-sample similarity, views from the same image may not always be similar. Additionally, owing to inter-sample similarity, views from different images may be more akin than those from the same image. Consequently, enforcing high similarity for positive pairs and low similarity for negative pairs may be unattainable, and in some cases, such enforcement could detrimentally impact performance. To address this challenge, we propose using multiple projection heads, each producing a distinct set of features. Our pre-training loss function emerges from a solution to the maximum likelihood estimation over head-wise posterior distributions of positive samples given observations. This loss incorporates the similarity measure over positive and negative pairs, each re-weighted by an individual adaptive temperature, regulated to prevent ill solutions. Our approach, Adaptive Multi-Head Contrastive Learning (AMCL), can be applied to and experimentally enhances several popular contrastive learning methods such as SimCLR, MoCo, and Barlow Twins. The improvement remains consistent across various backbones and linear probing epochs, and becomes more significant when employing multiple augmentation methods.

The capacity of a modern deep learning system to determine if a sample falls within its realm of knowledge is fundamental and important. In this paper, we offer insights and analyses of recent state-of-the-art out-of-distribution (OOD) detection methods - extremely simple activation shaping (ASH). We demonstrate that activation pruning has a detrimental effect on OOD detection, while activation scaling enhances it. Moreover, we propose SCALE, a simple yet effective post-hoc network enhancement method for OOD detection, which attains state-of-the-art OOD detection performance without compromising in-distribution (ID) accuracy. By integrating scaling concepts into the training process to capture a sample's ID characteristics, we propose Intermediate Tensor SHaping (ISH), a lightweight method for training time OOD detection enhancement. We achieve AUROC scores of +1.85\% for near-OOD and +0.74\% for far-OOD datasets on the OpenOOD v1.5 ImageNet-1K benchmark. Our code and models are available at https://github.com/kai422/SCALE.

Generative Flow Networks or GFlowNets are related to Monte-Carlo Markov chain methods (as they sample from a distribution specified by an energy function), reinforcement learning (as they learn a policy to sample composed objects through a sequence of steps), generative models (as they learn to represent and sample from a distribution) and amortized variational methods (as they can be used to learn to approximate and sample from an otherwise intractable posterior, given a prior and a likelihood). They are trained to generate an object x through a sequence of steps with probability proportional to some reward function R(x) (or exp(-E(x)) with E(x) denoting the energy function), given at the end of the generative trajectory. Like for other RL settings where the reward is only given at the end, the efficiency of training and credit assignment may suffer when those trajectories are longer. With previous GFlowNet work, no learning was possible from incomplete trajectories (lacking a terminal state and the computation of the associated reward). In this paper, we consider the case where the energy function can be applied not just to terminal states but also to intermediate states. This is for example achieved when the energy function is additive, with terms available along the trajectory. We show how to reparameterize the GFlowNet state flow function to take advantage of the partial reward already accrued at each state. This enables a training objective that can be applied to update parameters even with incomplete trajectories. Even when complete trajectories are available, being able to obtain more localized credit and gradients is found to speed up training convergence, as demonstrated across many simulations.

Recent domain generalization (DG) approaches typically use the hypothesis learned on source domains for inference on the unseen target domain. However, such a hypothesis can be arbitrarily far from the optimal one for the target domain, induced by a gap termed ``adaptivity gap''. Without exploiting the domain information from the unseen test samples, adaptivity gap estimation and minimization are intractable, which hinders us to robustify a model to any unknown distribution. In this paper, we first establish a generalization bound that explicitly considers the adaptivity gap. Our bound motivates two strategies to reduce the gap: the first one is ensembling multiple classifiers to enrich the hypothesis space, then we propose effective gap estimation methods for guiding the selection of a better hypothesis for the target. The other method is minimizing the gap directly by adapting model parameters using online target samples. We thus propose Domain-specific Risk Minimization (DRM). During training, DRM models the distributions of different source domains separately; for inference, DRM performs online model steering using the source hypothesis for each arriving target sample. Extensive experiments demonstrate the effectiveness of the proposed DRM for domain generalization with the following advantages: 1) it significantly outperforms competitive baselines on different distributional shift settings; 2) it achieves either comparable or superior accuracies on all source domains compared to vanilla empirical risk minimization; 3) it remains simple and efficient during training, and 4) it is complementary to invariant learning approaches.

We investigate how pair-wise data augmentation techniques like Mixup affect the sample complexity of finding optimal decision boundaries in a binary linear classification problem. For a family of data distributions with a separability constant kappa, we analyze how well the optimal classifier in terms of training loss aligns with the optimal one in test accuracy (i.e., Bayes optimal classifier). For vanilla training without augmentation, we uncover an interesting phenomenon named the curse of separability. As we increase kappa to make the data distribution more separable, the sample complexity of vanilla training increases exponentially in kappa; perhaps surprisingly, the task of finding optimal decision boundaries becomes harder for more separable distributions. For Mixup training, we show that Mixup mitigates this problem by significantly reducing the sample complexity. To this end, we develop new concentration results applicable to n^2 pair-wise augmented data points constructed from n independent data, by carefully dealing with dependencies between overlapping pairs. Lastly, we study other masking-based Mixup-style techniques and show that they can distort the training loss and make its minimizer converge to a suboptimal classifier in terms of test accuracy.

Existing studies on question answering on knowledge bases (KBQA) mainly operate with the standard i.i.d assumption, i.e., training distribution over questions is the same as the test distribution. However, i.i.d may be neither reasonably achievable nor desirable on large-scale KBs because 1) true user distribution is hard to capture and 2) randomly sample training examples from the enormous space would be highly data-inefficient. Instead, we suggest that KBQA models should have three levels of built-in generalization: i.i.d, compositional, and zero-shot. To facilitate the development of KBQA models with stronger generalization, we construct and release a new large-scale, high-quality dataset with 64,331 questions, GrailQA, and provide evaluation settings for all three levels of generalization. In addition, we propose a novel BERT-based KBQA model. The combination of our dataset and model enables us to thoroughly examine and demonstrate, for the first time, the key role of pre-trained contextual embeddings like BERT in the generalization of KBQA.

Out-of-distribution (OOD) problems in few-shot classification (FSC) occur when novel classes sampled from testing distributions differ from base classes drawn from training distributions, which considerably degrades the performance of deep learning models deployed in real-world applications. Recent studies suggest that the OOD problems in FSC mainly including: (a) cross-domain few-shot classification (CD-FSC) and (b) spurious-correlation few-shot classification (SC-FSC). Specifically, CD-FSC occurs when a classifier learns transferring knowledge from base classes drawn from seen training distributions but recognizes novel classes sampled from unseen testing distributions. In contrast, SC-FSC arises when a classifier relies on non-causal features (or contexts) that happen to be correlated with the labels (or concepts) in base classes but such relationships no longer hold during the model deployment. Despite CD-FSC has been extensively studied, SC-FSC remains understudied due to lack of the corresponding evaluation benchmarks. To this end, we present Meta Concept Context (MetaCoCo), a benchmark with spurious-correlation shifts collected from real-world scenarios. Moreover, to quantify the extent of spurious-correlation shifts of the presented MetaCoCo, we further propose a metric by using CLIP as a pre-trained vision-language model. Extensive experiments on the proposed benchmark are performed to evaluate the state-of-the-art methods in FSC, cross-domain shifts, and self-supervised learning. The experimental results show that the performance of the existing methods degrades significantly in the presence of spurious-correlation shifts. We open-source all codes of our benchmark and hope that the proposed MetaCoCo can facilitate future research on spurious-correlation shifts problems in FSC. The code is available at: https://github.com/remiMZ/MetaCoCo-ICLR24.

This study explores the emerging area of continual panoptic segmentation, highlighting three key balances. First, we introduce past-class backtrace distillation to balance the stability of existing knowledge with the adaptability to new information. This technique retraces the features associated with past classes based on the final label assignment results, performing knowledge distillation targeting these specific features from the previous model while allowing other features to flexibly adapt to new information. Additionally, we introduce a class-proportional memory strategy, which aligns the class distribution in the replay sample set with that of the historical training data. This strategy maintains a balanced class representation during replay, enhancing the utility of the limited-capacity replay sample set in recalling prior classes. Moreover, recognizing that replay samples are annotated only for the classes of their original step, we devise balanced anti-misguidance losses, which combat the impact of incomplete annotations without incurring classification bias. Building upon these innovations, we present a new method named Balanced Continual Panoptic Segmentation (BalConpas). Our evaluation on the challenging ADE20K dataset demonstrates its superior performance compared to existing state-of-the-art methods. The official code is available at https://github.com/jinpeng0528/BalConpas.

Deploying deep visual models can lead to performance drops due to the discrepancies between source and target distributions. Several approaches leverage labeled source data to estimate target domain accuracy, but accessing labeled source data is often prohibitively difficult due to data confidentiality or resource limitations on serving devices. Our work proposes a new framework to estimate model accuracy on unlabeled target data without access to source data. We investigate the feasibility of using pseudo-labels for accuracy estimation and evolve this idea into adopting recent advances in source-free domain adaptation algorithms. Our approach measures the disagreement rate between the source hypothesis and the target pseudo-labeling function, adapted from the source hypothesis. We mitigate the impact of erroneous pseudo-labels that may arise due to a high ideal joint hypothesis risk by employing adaptive adversarial perturbation on the input of the target model. Our proposed source-free framework effectively addresses the challenging distribution shift scenarios and outperforms existing methods requiring source data and labels for training.

Dense-to-sparse gating mixture of experts (MoE) has recently become an effective alternative to a well-known sparse MoE. Rather than fixing the number of activated experts as in the latter model, which could limit the investigation of potential experts, the former model utilizes the temperature to control the softmax weight distribution and the sparsity of the MoE during training in order to stabilize the expert specialization. Nevertheless, while there are previous attempts to theoretically comprehend the sparse MoE, a comprehensive analysis of the dense-to-sparse gating MoE has remained elusive. Therefore, we aim to explore the impacts of the dense-to-sparse gate on the maximum likelihood estimation under the Gaussian MoE in this paper. We demonstrate that due to interactions between the temperature and other model parameters via some partial differential equations, the convergence rates of parameter estimations are slower than any polynomial rates, and could be as slow as O(1/log(n)), where n denotes the sample size. To address this issue, we propose using a novel activation dense-to-sparse gate, which routes the output of a linear layer to an activation function before delivering them to the softmax function. By imposing linearly independence conditions on the activation function and its derivatives, we show that the parameter estimation rates are significantly improved to polynomial rates.

Generalization to novel compound tasks under distribution shift is important for deploying transformer-based language models (LMs). This work investigates Chain-of-Thought (CoT) reasoning as a means to enhance OOD generalization. Through controlled experiments across several compound tasks, we reveal three key insights: (1) While QA-trained models achieve near-perfect in-distribution accuracy, their OOD performance degrades catastrophically, even with 10000k+ training examples; (2) the granularity of CoT data strongly correlates with generalization performance; finer-grained CoT data leads to better generalization; (3) CoT exhibits remarkable sample efficiency, matching QA performance with much less (even 80%) data. Theoretically, we demonstrate that compound tasks inherently permit shortcuts in Q-A data that misalign with true reasoning principles, while CoT forces internalization of valid dependency structures, and thus can achieve better generalization. Further, we show that transformer positional embeddings can amplify generalization by emphasizing subtask condition recurrence in long CoT sequences. Our combined theoretical and empirical analysis provides compelling evidence for CoT reasoning as a crucial training paradigm for enabling LM generalization under real-world distributional shifts for compound tasks.

Recent approaches have shown promises distilling diffusion models into efficient one-step generators. Among them, Distribution Matching Distillation (DMD) produces one-step generators that match their teacher in distribution, without enforcing a one-to-one correspondence with the sampling trajectories of their teachers. However, to ensure stable training, DMD requires an additional regression loss computed using a large set of noise-image pairs generated by the teacher with many steps of a deterministic sampler. This is costly for large-scale text-to-image synthesis and limits the student's quality, tying it too closely to the teacher's original sampling paths. We introduce DMD2, a set of techniques that lift this limitation and improve DMD training. First, we eliminate the regression loss and the need for expensive dataset construction. We show that the resulting instability is due to the fake critic not estimating the distribution of generated samples accurately and propose a two time-scale update rule as a remedy. Second, we integrate a GAN loss into the distillation procedure, discriminating between generated samples and real images. This lets us train the student model on real data, mitigating the imperfect real score estimation from the teacher model, and enhancing quality. Lastly, we modify the training procedure to enable multi-step sampling. We identify and address the training-inference input mismatch problem in this setting, by simulating inference-time generator samples during training time. Taken together, our improvements set new benchmarks in one-step image generation, with FID scores of 1.28 on ImageNet-64x64 and 8.35 on zero-shot COCO 2014, surpassing the original teacher despite a 500X reduction in inference cost. Further, we show our approach can generate megapixel images by distilling SDXL, demonstrating exceptional visual quality among few-step methods.

Deep generative models are routinely used in generating samples from complex, high-dimensional distributions. Despite their apparent successes, their statistical properties are not well understood. A common assumption is that with enough training data and sufficiently large neural networks, deep generative model samples will have arbitrarily small errors in sampling from any continuous target distribution. We set up a unifying framework that debunks this belief. We demonstrate that broad classes of deep generative models, including variational autoencoders and generative adversarial networks, are not universal generators. Under the predominant case of Gaussian latent variables, these models can only generate concentrated samples that exhibit light tails. Using tools from concentration of measure and convex geometry, we give analogous results for more general log-concave and strongly log-concave latent variable distributions. We extend our results to diffusion models via a reduction argument. We use the Gromov--Levy inequality to give similar guarantees when the latent variables lie on manifolds with positive Ricci curvature. These results shed light on the limited capacity of common deep generative models to handle heavy tails. We illustrate the empirical relevance of our work with simulations and financial data.

In this paper, we propose SimLM (Similarity matching with Language Model pre-training), a simple yet effective pre-training method for dense passage retrieval. It employs a simple bottleneck architecture that learns to compress the passage information into a dense vector through self-supervised pre-training. We use a replaced language modeling objective, which is inspired by ELECTRA, to improve the sample efficiency and reduce the mismatch of the input distribution between pre-training and fine-tuning. SimLM only requires access to unlabeled corpus, and is more broadly applicable when there are no labeled data or queries. We conduct experiments on several large-scale passage retrieval datasets, and show substantial improvements over strong baselines under various settings. Remarkably, SimLM even outperforms multi-vector approaches such as ColBERTv2 which incurs significantly more storage cost.

Deep neural networks have enabled improved image quality and fast inference times for various inverse problems, including accelerated magnetic resonance imaging (MRI) reconstruction. However, such models require a large number of fully-sampled ground truth datasets, which are difficult to curate, and are sensitive to distribution drifts. In this work, we propose applying physics-driven data augmentations for consistency training that leverage our domain knowledge of the forward MRI data acquisition process and MRI physics to achieve improved label efficiency and robustness to clinically-relevant distribution drifts. Our approach, termed VORTEX, (1) demonstrates strong improvements over supervised baselines with and without data augmentation in robustness to signal-to-noise ratio change and motion corruption in data-limited regimes; (2) considerably outperforms state-of-the-art purely image-based data augmentation techniques and self-supervised reconstruction methods on both in-distribution and out-of-distribution data; and (3) enables composing heterogeneous image-based and physics-driven data augmentations. Our code is available at https://github.com/ad12/meddlr.

Recent works have shown that supervised models often exploit data artifacts to achieve good test scores while their performance severely degrades on samples outside their training distribution. Contrast sets (Gardneret al., 2020) quantify this phenomenon by perturbing test samples in a minimal way such that the output label is modified. While most contrast sets were created manually, requiring intensive annotation effort, we present a novel method which leverages rich semantic input representation to automatically generate contrast sets for the visual question answering task. Our method computes the answer of perturbed questions, thus vastly reducing annotation cost and enabling thorough evaluation of models' performance on various semantic aspects (e.g., spatial or relational reasoning). We demonstrate the effectiveness of our approach on the GQA dataset and its semantic scene graph image representation. We find that, despite GQA's compositionality and carefully balanced label distribution, two high-performing models drop 13-17% in accuracy compared to the original test set. Finally, we show that our automatic perturbation can be applied to the training set to mitigate the degradation in performance, opening the door to more robust models.

Language models have become the backbone of today's AI systems. However, their predominant left-to-right generation limits the use of bidirectional context, which is essential for tasks that involve filling text in the middle. We propose the Fill-in Language Model (FiLM), a new language modeling approach that allows for flexible generation at any position without adhering to a specific generation order. Its training extends the masked language modeling objective by adopting varying mask probabilities sampled from the Beta distribution to enhance the generative capabilities of FiLM. During inference, FiLM can seamlessly insert missing phrases, sentences, or paragraphs, ensuring that the outputs are fluent and are coherent with the surrounding context. In both automatic and human evaluations, FiLM outperforms existing infilling methods that rely on left-to-right language models trained on rearranged text segments. FiLM is easy to implement and can be either trained from scratch or fine-tuned from a left-to-right language model. Notably, as the model size grows, FiLM's perplexity approaches that of strong left-to-right language models of similar sizes, indicating FiLM's scalability and potential as a large language model.

Transfer learning is a popular method for tuning pretrained (upstream) models for different downstream tasks using limited data and computational resources. We study how an adversary with control over an upstream model used in transfer learning can conduct property inference attacks on a victim's tuned downstream model. For example, to infer the presence of images of a specific individual in the downstream training set. We demonstrate attacks in which an adversary can manipulate the upstream model to conduct highly effective and specific property inference attacks (AUC score > 0.9), without incurring significant performance loss on the main task. The main idea of the manipulation is to make the upstream model generate activations (intermediate features) with different distributions for samples with and without a target property, thus enabling the adversary to distinguish easily between downstream models trained with and without training examples that have the target property. Our code is available at https://github.com/yulongt23/Transfer-Inference.

Deep Neural Networks (DNNs) can be represented as graphs whose links and vertices iteratively process data and solve tasks sub-optimally. Complex Network Theory (CNT), merging statistical physics with graph theory, provides a method for interpreting neural networks by analysing their weights and neuron structures. However, classic works adapt CNT metrics that only permit a topological analysis as they do not account for the effect of the input data. In addition, CNT metrics have been applied to a limited range of architectures, mainly including Fully Connected neural networks. In this work, we extend the existing CNT metrics with measures that sample from the DNNs' training distribution, shifting from a purely topological analysis to one that connects with the interpretability of deep learning. For the novel metrics, in addition to the existing ones, we provide a mathematical formalisation for Fully Connected, AutoEncoder, Convolutional and Recurrent neural networks, of which we vary the activation functions and the number of hidden layers. We show that these metrics differentiate DNNs based on the architecture, the number of hidden layers, and the activation function. Our contribution provides a method rooted in physics for interpreting DNNs that offers insights beyond the traditional input-output relationship and the CNT topological analysis.

Synthetic data is emerging as one of the most promising solutions to share individual-level data while safeguarding privacy. While membership inference attacks (MIAs), based on shadow modeling, have become the standard to evaluate the privacy of synthetic data, they currently assume the attacker to have access to an auxiliary dataset sampled from a similar distribution as the training dataset. This is often seen as a very strong assumption in practice, especially as the proposed main use cases for synthetic tabular data (e.g. medical data, financial transactions) are very specific and don't have any reference datasets directly available. We here show how this assumption can be removed, allowing for MIAs to be performed using only the synthetic data. Specifically, we developed three different scenarios: (S1) Black-box access to the generator, (S2) only access to the released synthetic dataset and (S3) a theoretical setup as upper bound for the attack performance using only synthetic data. Our results show that MIAs are still successful, across two real-world datasets and two synthetic data generators. These results show how the strong hypothesis made when auditing synthetic data releases - access to an auxiliary dataset - can be relaxed, making the attacks more realistic in practice.

Despite substantial advances in scaling test-time compute, an ongoing debate in the community is how it should be scaled up to enable continued and efficient improvements with scaling. There are largely two approaches: first, distilling successful search or thinking traces; and second, using verification (e.g., 0/1 outcome rewards, reward models, or verifiers) to guide reinforcement learning (RL) and search algorithms. In this paper, we prove that finetuning LLMs with verifier-based (VB) methods based on RL or search is far superior to verifier-free (VF) approaches based on distilling or cloning search traces, given a fixed amount of compute/data budget. Further, we show that as we scale test-time compute (measured as the output token length) and training data, suboptimality of VF methods scales poorly compared to VB when the base pre-trained LLM presents a heterogeneous distribution over correct solution traces (e.g., different lengths, styles, etc.) and admits a non-sharp distribution over rewards on traces sampled from it. We formalize this condition using anti-concentration [Erdos, 1945]. This implies a stronger result that VB methods scale better asymptotically, with the performance gap between VB and VF methods widening as test-time budget grows. We corroborate our theory empirically on both didactic and math reasoning problems with 3/8/32B-sized pre-trained LLMs, where we find verification is crucial for scaling test-time compute.

Typical neural network trainings have substantial variance in test-set performance between repeated runs, impeding hyperparameter comparison and training reproducibility. We present the following results towards understanding this variation. (1) Despite having significant variance on their test-sets, we demonstrate that standard CIFAR-10 and ImageNet trainings have very little variance in their performance on the test-distributions from which those test-sets are sampled, suggesting that variance is less of a practical issue than previously thought. (2) We present a simplifying statistical assumption which closely approximates the structure of the test-set accuracy distribution. (3) We argue that test-set variance is inevitable in the following two senses. First, we show that variance is largely caused by high sensitivity of the training process to initial conditions, rather than by specific sources of randomness like the data order and augmentations. Second, we prove that variance is unavoidable given the observation that ensembles of trained networks are well-calibrated. (4) We conduct preliminary studies of distribution-shift, fine-tuning, data augmentation and learning rate through the lens of variance between runs.

Latent variable models (LVMs) with discrete compositional latents are an important but challenging setting due to a combinatorially large number of possible configurations of the latents. A key tradeoff in modeling the posteriors over latents is between expressivity and tractable optimization. For algorithms based on expectation-maximization (EM), the E-step is often intractable without restrictive approximations to the posterior. We propose the use of GFlowNets, algorithms for sampling from an unnormalized density by learning a stochastic policy for sequential construction of samples, for this intractable E-step. By training GFlowNets to sample from the posterior over latents, we take advantage of their strengths as amortized variational inference algorithms for complex distributions over discrete structures. Our approach, GFlowNet-EM, enables the training of expressive LVMs with discrete compositional latents, as shown by experiments on non-context-free grammar induction and on images using discrete variational autoencoders (VAEs) without conditional independence enforced in the encoder.

Existing pretraining data mixing methods for large language models (LLMs) typically follow a domain-wise methodology, a top-down process that first determines domain weights and then performs uniform data sampling across each domain. However, these approaches neglect significant inter-domain overlaps and commonalities, failing to control the global diversity of the constructed training dataset. Further, uniform sampling within domains ignores fine-grained sample-specific features, potentially leading to suboptimal data distribution. To address these shortcomings, we propose a novel sample-wise data mixture approach based on a bottom-up paradigm. This method performs global cross-domain sampling by systematically evaluating the quality and diversity of each sample, thereby dynamically determining the optimal domain distribution. Comprehensive experiments across multiple downstream tasks and perplexity assessments demonstrate that SampleMix surpasses existing domain-based methods. Meanwhile, SampleMix requires 1.4x to 2.1x training steps to achieves the baselines' performance, highlighting the substantial potential of SampleMix to optimize pre-training data.

Dataset distillation aims to synthesize small datasets with little information loss from original large-scale ones for reducing storage and training costs. Recent state-of-the-art methods mainly constrain the sample synthesis process by matching synthetic images and the original ones regarding gradients, embedding distributions, or training trajectories. Although there are various matching objectives, currently the strategy for selecting original images is limited to naive random sampling. We argue that random sampling overlooks the evenness of the selected sample distribution, which may result in noisy or biased matching targets. Besides, the sample diversity is also not constrained by random sampling. These factors together lead to optimization instability in the distilling process and degrade the training efficiency. Accordingly, we propose a novel matching strategy named as Dataset distillation by REpresentAtive Matching (DREAM), where only representative original images are selected for matching. DREAM is able to be easily plugged into popular dataset distillation frameworks and reduce the distilling iterations by more than 8 times without performance drop. Given sufficient training time, DREAM further provides significant improvements and achieves state-of-the-art performances.

The ability to automatically estimate the quality and coverage of the samples produced by a generative model is a vital requirement for driving algorithm research. We present an evaluation metric that can separately and reliably measure both of these aspects in image generation tasks by forming explicit, non-parametric representations of the manifolds of real and generated data. We demonstrate the effectiveness of our metric in StyleGAN and BigGAN by providing several illustrative examples where existing metrics yield uninformative or contradictory results. Furthermore, we analyze multiple design variants of StyleGAN to better understand the relationships between the model architecture, training methods, and the properties of the resulting sample distribution. In the process, we identify new variants that improve the state-of-the-art. We also perform the first principled analysis of truncation methods and identify an improved method. Finally, we extend our metric to estimate the perceptual quality of individual samples, and use this to study latent space interpolations.

The predictions of small transformers, trained to calculate the greatest common divisor (GCD) of two positive integers, can be fully characterized by looking at model inputs and outputs. As training proceeds, the model learns a list mathcal D of integers, products of divisors of the base used to represent integers and small primes, and predicts the largest element of mathcal D that divides both inputs. Training distributions impact performance. Models trained from uniform operands only learn a handful of GCD (up to 38 GCD leq100). Log-uniform operands boost performance to 73 GCD leq 100, and a log-uniform distribution of outcomes (i.e. GCD) to 91. However, training from uniform (balanced) GCD breaks explainability.

Distribution shifts -- where the training distribution differs from the test distribution -- can substantially degrade the accuracy of machine learning (ML) systems deployed in the wild. Despite their ubiquity in the real-world deployments, these distribution shifts are under-represented in the datasets widely used in the ML community today. To address this gap, we present WILDS, a curated benchmark of 10 datasets reflecting a diverse range of distribution shifts that naturally arise in real-world applications, such as shifts across hospitals for tumor identification; across camera traps for wildlife monitoring; and across time and location in satellite imaging and poverty mapping. On each dataset, we show that standard training yields substantially lower out-of-distribution than in-distribution performance. This gap remains even with models trained by existing methods for tackling distribution shifts, underscoring the need for new methods for training models that are more robust to the types of distribution shifts that arise in practice. To facilitate method development, we provide an open-source package that automates dataset loading, contains default model architectures and hyperparameters, and standardizes evaluations. Code and leaderboards are available at https://wilds.stanford.edu.

The training of large language models (LLMs) is expensive. In this paper, we study data-efficient approaches for pre-training LLMs, i.e., techniques that aim to optimize the Pareto frontier of model quality and training resource/data consumption. We seek to understand the tradeoffs associated with data selection routines based on (i) expensive-to-compute data-quality estimates, and (ii) maximization of coverage and diversity-based measures in the feature space. Our first technique, Ask-LLM, leverages the zero-shot reasoning capabilities of instruction-tuned LLMs to directly assess the quality of a training example. To target coverage, we propose Density sampling, which models the data distribution to select a diverse sample. In our comparison of 19 samplers, involving hundreds of evaluation tasks and pre-training runs, we find that Ask-LLM and Density are the best methods in their respective categories. Coverage sampling can recover the performance of the full data, while models trained on Ask-LLM data consistently outperform full-data training -- even when we reject 90% of the original dataset, while converging up to 70% faster.

Sampling is ubiquitous in machine learning methodologies. Due to the growth of large datasets and model complexity, we want to learn and adapt the sampling process while training a representation. Towards achieving this grand goal, a variety of sampling techniques have been proposed. However, most of them either use a fixed sampling scheme or adjust the sampling scheme based on simple heuristics. They cannot choose the best sample for model training in different stages. Inspired by "Think, Fast and Slow" (System 1 and System 2) in cognitive science, we propose a reward-guided sampling strategy called Adaptive Sample with Reward (ASR) to tackle this challenge. To the best of our knowledge, this is the first work utilizing reinforcement learning (RL) to address the sampling problem in representation learning. Our approach optimally adjusts the sampling process to achieve optimal performance. We explore geographical relationships among samples by distance-based sampling to maximize overall cumulative reward. We apply ASR to the long-standing sampling problems in similarity-based loss functions. Empirical results in information retrieval and clustering demonstrate ASR's superb performance across different datasets. We also discuss an engrossing phenomenon which we name as "ASR gravity well" in experiments.

Web-crawled datasets have enabled remarkable generalization capabilities in recent image-text models such as CLIP (Contrastive Language-Image pre-training) or Flamingo, but little is known about the dataset creation processes. In this work, we introduce a testbed of six publicly available data sources - YFCC, LAION, Conceptual Captions, WIT, RedCaps, Shutterstock - to investigate how pre-training distributions induce robustness in CLIP. We find that the performance of the pre-training data varies substantially across distribution shifts, with no single data source dominating. Moreover, we systematically study the interactions between these data sources and find that combining multiple sources does not necessarily yield better models, but rather dilutes the robustness of the best individual data source. We complement our empirical findings with theoretical insights from a simple setting, where combining the training data also results in diluted robustness. In addition, our theoretical model provides a candidate explanation for the success of the CLIP-based data filtering technique recently employed in the LAION dataset. Overall our results demonstrate that simply gathering a large amount of data from the web is not the most effective way to build a pre-training dataset for robust generalization, necessitating further study into dataset design. Code is available at https://github.com/mlfoundations/clip_quality_not_quantity.

We introduce Filter Like You Test (FLYT), a method for curating large-scale vision-language datasets that learns the usefulness of each data point as a pretraining example. FLYT trains a scoring model that learns to weigh each example using gradient signals from downstream tasks training sets. Using the same training methodology, we develop Mixing-FLYT (M-FLYT), which takes the per-example scores generated by different scoring methods and learns to unify them into a single score. Our training methodology naturally produces a distribution over the training examples, which we leverage through Soft Cap Sampling (SCS), a strategy for obtaining a filtered pretraining dataset from per-example probabilities that samples examples while preventing over-representation through a repetition penalty. Using all three methods, we achieve 40.1% ImageNet zero-shot accuracy on the DataComp medium scale filtering benchmark, a 1.9% absolute accuracy increase over all previous results and a 5.5% increase over results that -- like us -- use only public resources.

In this paper, we propose Test-Time Training, a general approach for improving the performance of predictive models when training and test data come from different distributions. We turn a single unlabeled test sample into a self-supervised learning problem, on which we update the model parameters before making a prediction. This also extends naturally to data in an online stream. Our simple approach leads to improvements on diverse image classification benchmarks aimed at evaluating robustness to distribution shifts.

Meta-learning has emerged as an effective methodology to model several real-world tasks and problems due to its extraordinary effectiveness in the low-data regime. There are many scenarios ranging from the classification of rare diseases to language modelling of uncommon languages where the availability of large datasets is rare. Similarly, for more broader scenarios like self-driving, an autonomous vehicle needs to be trained to handle every situation well. This requires training the ML model on a variety of tasks with good quality data. But often times, we find that the data distribution across various tasks is skewed, i.e.the data follows a long-tail distribution. This leads to the model performing well on some tasks and not performing so well on others leading to model robustness issues. Meta-learning has recently emerged as a potential learning paradigm which can effectively learn from one task and generalize that learning to unseen tasks. In this study, we aim to exploit external knowledge of task relations to improve training stability via effective mini-batching of tasks. We hypothesize that selecting a diverse set of tasks in a mini-batch will lead to a better estimate of the full gradient and hence will lead to a reduction of noise in training.

In recent years, active learning has been successfully applied to an array of NLP tasks. However, prior work often assumes that training and test data are drawn from the same distribution. This is problematic, as in real-life settings data may stem from several sources of varying relevance and quality. We show that four popular active learning schemes fail to outperform random selection when applied to unlabelled pools comprised of multiple data sources on the task of natural language inference. We reveal that uncertainty-based strategies perform poorly due to the acquisition of collective outliers, i.e., hard-to-learn instances that hamper learning and generalization. When outliers are removed, strategies are found to recover and outperform random baselines. In further analysis, we find that collective outliers vary in form between sources, and show that hard-to-learn data is not always categorically harmful. Lastly, we leverage dataset cartography to introduce difficulty-stratified testing and find that different strategies are affected differently by example learnability and difficulty.

Large transformer-based models are able to perform in-context few-shot learning, without being explicitly trained for it. This observation raises the question: what aspects of the training regime lead to this emergent behavior? Here, we show that this behavior is driven by the distributions of the training data itself. In-context learning emerges when the training data exhibits particular distributional properties such as burstiness (items appear in clusters rather than being uniformly distributed over time) and having large numbers of rarely occurring classes. In-context learning also emerges more strongly when item meanings or interpretations are dynamic rather than fixed. These properties are exemplified by natural language, but are also inherent to naturalistic data in a wide range of other domains. They also depart significantly from the uniform, i.i.d. training distributions typically used for standard supervised learning. In our initial experiments, we found that in-context learning traded off against more conventional weight-based learning, and models were unable to achieve both simultaneously. However, our later experiments uncovered that the two modes of learning could co-exist in a single model when it was trained on data following a skewed Zipfian distribution -- another common property of naturalistic data, including language. In further experiments, we found that naturalistic data distributions were only able to elicit in-context learning in transformers, and not in recurrent models. In sum, our findings indicate how the transformer architecture works together with particular properties of the training data to drive the intriguing emergent in-context learning behaviour of large language models, and how future work might encourage both in-context and in-weights learning in domains beyond language.

We develop techniques to quantify the degree to which a given (training or testing) example is an outlier in the underlying distribution. We evaluate five methods to score examples in a dataset by how well-represented the examples are, for different plausible definitions of "well-represented", and apply these to four common datasets: MNIST, Fashion-MNIST, CIFAR-10, and ImageNet. Despite being independent approaches, we find all five are highly correlated, suggesting that the notion of being well-represented can be quantified. Among other uses, we find these methods can be combined to identify (a) prototypical examples (that match human expectations); (b) memorized training examples; and, (c) uncommon submodes of the dataset. Further, we show how we can utilize our metrics to determine an improved ordering for curriculum learning, and impact adversarial robustness. We release all metric values on training and test sets we studied.

In modern recommendation systems, the standard pipeline involves training machine learning models on historical data to predict user behaviors and improve recommendations continuously. However, these data training loops can introduce interference in A/B tests, where data generated by control and treatment algorithms, potentially with different distributions, are combined. To address these challenges, we introduce a novel approach called weighted training. This approach entails training a model to predict the probability of each data point appearing in either the treatment or control data and subsequently applying weighted losses during model training. We demonstrate that this approach achieves the least variance among all estimators without causing shifts in the training distributions. Through simulation studies, we demonstrate the lower bias and variance of our approach compared to other methods.

Large language models (LLMs) have revolutionized the role of AI, yet also pose potential risks of propagating unethical content. Alignment technologies have been introduced to steer LLMs towards human preference, gaining increasing attention. Despite notable breakthroughs in this direction, existing methods heavily rely on high-quality positive-negative training pairs, suffering from noisy labels and the marginal distinction between preferred and dispreferred response data. Given recent LLMs' proficiency in generating helpful responses, this work pivots towards a new research focus: achieving alignment using solely human-annotated negative samples, preserving helpfulness while reducing harmfulness. For this purpose, we propose Distributional Dispreference Optimization (D^2O), which maximizes the discrepancy between the generated responses and the dispreferred ones to effectively eschew harmful information. We theoretically demonstrate that D^2O is equivalent to learning a distributional instead of instance-level preference model reflecting human dispreference against the distribution of negative responses. Besides, D^2O integrates an implicit Jeffrey Divergence regularization to balance the exploitation and exploration of reference policies and converges to a non-negative one during training. Extensive experiments demonstrate that our method achieves comparable generation quality and surpasses the latest baselines in producing less harmful and more informative responses with better training stability and faster convergence.

Abstractive summarization models are commonly trained using maximum likelihood estimation, which assumes a deterministic (one-point) target distribution in which an ideal model will assign all the probability mass to the reference summary. This assumption may lead to performance degradation during inference, where the model needs to compare several system-generated (candidate) summaries that have deviated from the reference summary. To address this problem, we propose a novel training paradigm which assumes a non-deterministic distribution so that different candidate summaries are assigned probability mass according to their quality. Our method achieves a new state-of-the-art result on the CNN/DailyMail (47.78 ROUGE-1) and XSum (49.07 ROUGE-1) datasets. Further analysis also shows that our model can estimate probabilities of candidate summaries that are more correlated with their level of quality.

Methods for carefully selecting or generating a small set of training data to learn from, i.e., data pruning, coreset selection, and data distillation, have been shown to be effective in reducing the ever-increasing cost of training neural networks. Behind this success are rigorously designed strategies for identifying informative training examples out of large datasets. However, these strategies come with additional computational costs associated with subset selection or data distillation before training begins, and furthermore, many are shown to even under-perform random sampling in high data compression regimes. As such, many data pruning, coreset selection, or distillation methods may not reduce 'time-to-accuracy', which has become a critical efficiency measure of training deep neural networks over large datasets. In this work, we revisit a powerful yet overlooked random sampling strategy to address these challenges and introduce an approach called Repeated Sampling of Random Subsets (RSRS or RS2), where we randomly sample the subset of training data for each epoch of model training. We test RS2 against thirty state-of-the-art data pruning and data distillation methods across four datasets including ImageNet. Our results demonstrate that RS2 significantly reduces time-to-accuracy compared to existing techniques. For example, when training on ImageNet in the high-compression regime (using less than 10% of the dataset each epoch), RS2 yields accuracy improvements up to 29% compared to competing pruning methods while offering a runtime reduction of 7x. Beyond the above meta-study, we provide a convergence analysis for RS2 and discuss its generalization capability. The primary goal of our work is to establish RS2 as a competitive baseline for future data selection or distillation techniques aimed at efficient training.

The distribution of subpopulations is an important property hidden within a dataset. Uncovering and analyzing the subpopulation distribution within datasets provides a comprehensive understanding of the datasets, standing as a powerful tool beneficial to various downstream tasks, including Dataset Subpopulation Organization, Subpopulation Shift, and Slice Discovery. Despite its importance, there has been no work that systematically explores the subpopulation distribution of datasets to our knowledge. To address the limitation and solve all the mentioned tasks in a unified way, we introduce a novel concept of subpopulation structures to represent, analyze, and utilize subpopulation distributions within datasets. To characterize the structures in an interpretable manner, we propose the Subpopulation Structure Discovery with Large Language Models (SSD-LLM) framework, which employs world knowledge and instruction-following capabilities of Large Language Models (LLMs) to linguistically analyze informative image captions and summarize the structures. Furthermore, we propose complete workflows to address downstream tasks, named Task-specific Tuning, showcasing the application of the discovered structure to a spectrum of subpopulation-related tasks, including dataset subpopulation organization, subpopulation shift, and slice discovery. Furthermore, we propose complete workflows to address downstream tasks, named Task-specific Tuning, showcasing the application of the discovered structure to a spectrum of subpopulation-related tasks, including dataset subpopulation organization, subpopulation shift, and slice discovery.

In domains ranging from computer vision to natural language processing, machine learning models have been shown to exhibit stark disparities, often performing worse for members of traditionally underserved groups. One factor contributing to these performance gaps is a lack of representation in the data the models are trained on. It is often unclear, however, how to operationalize representativeness in specific applications. Here we formalize the problem of creating equitable training datasets, and propose a statistical framework for addressing this problem. We consider a setting where a model builder must decide how to allocate a fixed data collection budget to gather training data from different subgroups. We then frame dataset creation as a constrained optimization problem, in which one maximizes a function of group-specific performance metrics based on (estimated) group-specific learning rates and costs per sample. This flexible approach incorporates preferences of model-builders and other stakeholders, as well as the statistical properties of the learning task. When data collection decisions are made sequentially, we show that under certain conditions this optimization problem can be efficiently solved even without prior knowledge of the learning rates. To illustrate our approach, we conduct a simulation study of polygenic risk scores on synthetic genomic data -- an application domain that often suffers from non-representative data collection. We find that our adaptive sampling strategy outperforms several common data collection heuristics, including equal and proportional sampling, demonstrating the value of strategic dataset design for building equitable models.

While scaling laws provide a reliable methodology for predicting train loss across compute scales for a single data distribution, less is known about how these predictions should change as we change the distribution. In this paper, we derive a strategy for predicting one loss from another and apply it to predict across different pre-training datasets and from pre-training data to downstream task data. Our predictions extrapolate well even at 20x the largest FLOP budget used to fit the curves. More precisely, we find that there are simple shifted power law relationships between (1) the train losses of two models trained on two separate datasets when the models are paired by training compute (train-to-train), (2) the train loss and the test loss on any downstream distribution for a single model (train-to-test), and (3) the test losses of two models trained on two separate train datasets (test-to-test). The results hold up for pre-training datasets that differ substantially (some are entirely code and others have no code at all) and across a variety of downstream tasks. Finally, we find that in some settings these shifted power law relationships can yield more accurate predictions than extrapolating single-dataset scaling laws.

Does the dominant approach to learn representations (as a side effect of optimizing an expected cost for a single training distribution) remain a good approach when we are dealing with multiple distributions? Our thesis is that such scenarios are better served by representations that are richer than those obtained with a single optimization episode. We support this thesis with simple theoretical arguments and with experiments utilizing an apparently na\"{\i}ve ensembling technique: concatenating the representations obtained from multiple training episodes using the same data, model, algorithm, and hyper-parameters, but different random seeds. These independently trained networks perform similarly. Yet, in a number of scenarios involving new distributions, the concatenated representation performs substantially better than an equivalently sized network trained with a single training run. This proves that the representations constructed by multiple training episodes are in fact different. Although their concatenation carries little additional information about the training task under the training distribution, it becomes substantially more informative when tasks or distributions change. Meanwhile, a single training episode is unlikely to yield such a redundant representation because the optimization process has no reason to accumulate features that do not incrementally improve the training performance.

We show that feedforward neural networks with ReLU activation generalize on low complexity data, suitably defined. Given i.i.d. data generated from a simple programming language, the minimum description length (MDL) feedforward neural network which interpolates the data generalizes with high probability. We define this simple programming language, along with a notion of description length of such networks. We provide several examples on basic computational tasks, such as checking primality of a natural number, and more. For primality testing, our theorem shows the following. Suppose that we draw an i.i.d. sample of Theta(N^{delta}ln N) numbers uniformly at random from 1 to N, where deltain (0,1). For each number x_i, let y_i = 1 if x_i is a prime and 0 if it is not. Then with high probability, the MDL network fitted to this data accurately answers whether a newly drawn number between 1 and N is a prime or not, with test error leq O(N^{-delta}). Note that the network is not designed to detect primes; minimum description learning discovers a network which does so.

For learning with noisy labels, the transition matrix, which explicitly models the relation between noisy label distribution and clean label distribution, has been utilized to achieve the statistical consistency of either the classifier or the risk. Previous researches have focused more on how to estimate this transition matrix well, rather than how to utilize it. We propose good utilization of the transition matrix is crucial and suggest a new utilization method based on resampling, coined RENT. Specifically, we first demonstrate current utilizations can have potential limitations for implementation. As an extension to Reweighting, we suggest the Dirichlet distribution-based per-sample Weight Sampling (DWS) framework, and compare reweighting and resampling under DWS framework. With the analyses from DWS, we propose RENT, a REsampling method with Noise Transition matrix. Empirically, RENT consistently outperforms existing transition matrix utilization methods, which includes reweighting, on various benchmark datasets. Our code is available at https://github.com/BaeHeeSun/RENT.

Supervised learning datasets may contain multiple cues that explain the training set equally well, i.e., learning any of them would lead to the correct predictions on the training data. However, many of them can be spurious, i.e., lose their predictive power under a distribution shift and consequently fail to generalize to out-of-distribution (OOD) data. Recently developed "diversification" methods (Lee et al., 2023; Pagliardini et al., 2023) approach this problem by finding multiple diverse hypotheses that rely on different features. This paper aims to study this class of methods and identify the key components contributing to their OOD generalization abilities. We show that (1) diversification methods are highly sensitive to the distribution of the unlabeled data used for diversification and can underperform significantly when away from a method-specific sweet spot. (2) Diversification alone is insufficient for OOD generalization. The choice of the used learning algorithm, e.g., the model's architecture and pretraining, is crucial. In standard experiments (classification on Waterbirds and Office-Home datasets), using the second-best choice leads to an up to 20\% absolute drop in accuracy. (3) The optimal choice of learning algorithm depends on the unlabeled data and vice versa i.e. they are co-dependent. (4) Finally, we show that, in practice, the above pitfalls cannot be alleviated by increasing the number of diverse hypotheses, the major feature of diversification methods. These findings provide a clearer understanding of the critical design factors influencing the OOD generalization abilities of diversification methods. They can guide practitioners in how to use the existing methods best and guide researchers in developing new, better ones.

A growing body of research has demonstrated the inability of NLP models to generalize compositionally and has tried to alleviate it through specialized architectures, training schemes, and data augmentation, among other approaches. In this work, we study a different approach: training on instances with diverse structures. We propose a model-agnostic algorithm for subsampling such sets of instances from a labeled instance pool with structured outputs. Evaluating on both compositional template splits and traditional IID splits of 5 semantic parsing datasets of varying complexity, we show that structurally diverse training using our algorithm leads to comparable or better generalization than prior algorithms in 9 out of 10 dataset-split type pairs. In general, we find structural diversity to consistently improve sample efficiency compared to random train sets. Moreover, we show that structurally diverse sampling yields comprehensive test sets that are a lot more challenging than IID test sets. Finally, we provide two explanations for improved generalization from diverse train sets: 1) improved coverage of output substructures, and 2) a reduction in spurious correlations between these substructures.

It is impossible today to pretend that the practice of machine learning is compatible with the idea that training and testing data follow the same distribution. Several authors have recently used ensemble techniques to show how scenarios involving multiple data distributions are best served by representations that are both richer than those obtained by regularizing for the best in-distribution performance, and richer than those obtained under the influence of the implicit sparsity bias of common stochastic gradient procedures. This contribution investigates the use of very high dropout rates instead of ensembles to obtain such rich representations. Although training a deep network from scratch using such dropout rates is virtually impossible, fine-tuning a large pre-trained model under such conditions is not only possible but also achieves out-of-distribution performances that exceed those of both ensembles and weight averaging methods such as model soups. This result has practical significance because the importance of the fine-tuning scenario has considerably grown in recent years. This result also provides interesting insights on the nature of rich representations and on the intrinsically linear nature of fine-tuning a large network using a comparatively small dataset.

Understanding how machine learning models respond to distributional shifts is a key research challenge. Mazes serve as an excellent testbed due to varied generation algorithms offering a nuanced platform to simulate both subtle and pronounced distributional shifts. To enable systematic investigations of model behavior on out-of-distribution data, we present maze-dataset, a comprehensive library for generating, processing, and visualizing datasets consisting of maze-solving tasks. With this library, researchers can easily create datasets, having extensive control over the generation algorithm used, the parameters fed to the algorithm of choice, and the filters that generated mazes must satisfy. Furthermore, it supports multiple output formats, including rasterized and text-based, catering to convolutional neural networks and autoregressive transformer models. These formats, along with tools for visualizing and converting between them, ensure versatility and adaptability in research applications.

Denoising Diffusion Probabilistic Models have shown an impressive generation quality, although their long sampling chain leads to high computational costs. In this paper, we observe that a long sampling chain also leads to an error accumulation phenomenon, which is similar to the exposure bias problem in autoregressive text generation. Specifically, we note that there is a discrepancy between training and testing, since the former is conditioned on the ground truth samples, while the latter is conditioned on the previously generated results. To alleviate this problem, we propose a very simple but effective training regularization, consisting in perturbing the ground truth samples to simulate the inference time prediction errors. We empirically show that, without affecting the recall and precision, the proposed input perturbation leads to a significant improvement in the sample quality while reducing both the training and the inference times. For instance, on CelebA 64times64, we achieve a new state-of-the-art FID score of 1.27, while saving 37.5% of the training time. The code is publicly available at https://github.com/forever208/DDPM-IP

Large datasets have become commonplace in NLP research. However, the increased emphasis on data quantity has made it challenging to assess the quality of data. We introduce Data Maps---a model-based tool to characterize and diagnose datasets. We leverage a largely ignored source of information: the behavior of the model on individual instances during training (training dynamics) for building data maps. This yields two intuitive measures for each example---the model's confidence in the true class, and the variability of this confidence across epochs---obtained in a single run of training. Experiments across four datasets show that these model-dependent measures reveal three distinct regions in the data map, each with pronounced characteristics. First, our data maps show the presence of "ambiguous" regions with respect to the model, which contribute the most towards out-of-distribution generalization. Second, the most populous regions in the data are "easy to learn" for the model, and play an important role in model optimization. Finally, data maps uncover a region with instances that the model finds "hard to learn"; these often correspond to labeling errors. Our results indicate that a shift in focus from quantity to quality of data could lead to robust models and improved out-of-distribution generalization.

Finetuning large language models on instruction data is crucial for enhancing pre-trained knowledge and improving instruction-following capabilities. As instruction datasets proliferate, selecting optimal data for effective training becomes increasingly important. This work addresses the question: How can we determine the optimal subset of data for effective training? While existing research often emphasizes local criteria like instance quality for subset selection, we argue that a global approach focused on data diversity is more critical. Our method employs k-means clustering to ensure the selected subset effectively represents the full dataset. We propose an iterative refinement method inspired by active learning techniques to resample instances from clusters, reassessing each cluster's importance and sampling weight in every training iteration. This approach reduces the effect of outliers and automatically filters out clusters containing low-quality data. Through extensive evaluation across natural language reasoning, general world knowledge, code and math reasoning tasks, and by fine-tuning models from various families, we observe consistent improvements, achieving a 7% increase over random selection and a 3.8% improvement over state-of-the-art sampling methods. Our work highlights the significance of diversity-first sampling when finetuning LLMs to enhance performance across a broad array of evaluation tasks. Our code is available at https://github.com/for-ai/iterative-data-selection.

Instruction-tuning language models has become a crucial step in aligning them for general use. Typically, this process involves extensive training on large datasets, incurring high training costs. In this paper, we introduce a novel training data selection based on the learning percentage of the samples. We assert that current language models possess the capability to autonomously select high-quality training data, leading to comparable or improved performance compared to training on the entire dataset. Our experiments span different-sized models, revealing that this characteristic holds for models ranging from 1B (small) to 13B (large) in size. Moreover, we demonstrate an interesting finding that the data hardness transfers across model sizes, and a smaller 350M model can effectively curate high-quality training data with hard samples for a larger 13B model, resulting in an equally or superior instruction-tuned model compared to training on the complete dataset. Utilizing open-sourced OPT and Llama-2 models up to 13B in size, two publicly available instruction-tuning training datasets and evaluated by both automatic metrics & humans, our paper introduces a novel approach to training data selection, showcasing a more efficient alternative.

This work focuses on leveraging and selecting from vast, unlabeled, open data to pre-fine-tune a pre-trained language model. The goal is to minimize the need for costly domain-specific data for subsequent fine-tuning while achieving desired performance levels. While many data selection algorithms have been designed for small-scale applications, rendering them unsuitable for our context, some emerging methods do cater to language data scales. However, they often prioritize data that aligns with the target distribution. While this strategy may be effective when training a model from scratch, it can yield limited results when the model has already been pre-trained on a different distribution. Differing from prior work, our key idea is to select data that nudges the pre-training distribution closer to the target distribution. We show the optimality of this approach for fine-tuning tasks under certain conditions. We demonstrate the efficacy of our methodology across a diverse array of tasks (NLU, NLG, zero-shot) with models up to 2.7B, showing that it consistently surpasses other selection methods. Moreover, our proposed method is significantly faster than existing techniques, scaling to millions of samples within a single GPU hour. Our code is open-sourced (Code repository: https://anonymous.4open.science/r/DV4LLM-D761/ ). While fine-tuning offers significant potential for enhancing performance across diverse tasks, its associated costs often limit its widespread adoption; with this work, we hope to lay the groundwork for cost-effective fine-tuning, making its benefits more accessible.

Not all data in a typical training set help with generalization; some samples can be overly ambiguous or outrightly mislabeled. This paper introduces a new method to identify such samples and mitigate their impact when training neural networks. At the heart of our algorithm is the Area Under the Margin (AUM) statistic, which exploits differences in the training dynamics of clean and mislabeled samples. A simple procedure - adding an extra class populated with purposefully mislabeled threshold samples - learns a AUM upper bound that isolates mislabeled data. This approach consistently improves upon prior work on synthetic and real-world datasets. On the WebVision50 classification task our method removes 17% of training data, yielding a 1.6% (absolute) improvement in test error. On CIFAR100 removing 13% of the data leads to a 1.2% drop in error.

We investigate the extent to which offline demonstration data can improve online learning. It is natural to expect some improvement, but the question is how, and by how much? We show that the degree of improvement must depend on the quality of the demonstration data. To generate portable insights, we focus on Thompson sampling (TS) applied to a multi-armed bandit as a prototypical online learning algorithm and model. The demonstration data is generated by an expert with a given competence level, a notion we introduce. We propose an informed TS algorithm that utilizes the demonstration data in a coherent way through Bayes' rule and derive a prior-dependent Bayesian regret bound. This offers insight into how pretraining can greatly improve online performance and how the degree of improvement increases with the expert's competence level. We also develop a practical, approximate informed TS algorithm through Bayesian bootstrapping and show substantial empirical regret reduction through experiments.

Data availability across domains often follows a long-tail distribution: a few domains have abundant data, while most face dat . a scarcity. This imbalance poses challenges in training language models uniformly across all domains. In our study, we focus on multilingual settings, where data sizes vary significantly between high- and low-resource languages. Common strategies to address this include upsampling low-resource languages (Temperature Sampling) or upweighting their loss (Scalarization). Although often considered equivalent, this assumption has not been proven, which motivates our study. Through both theoretical and empirical analysis, we identify the conditions under which these approaches are equivalent and when they diverge. Specifically, we demonstrate that these two methods are equivalent under full gradient descent, but this equivalence breaks down with stochastic gradient descent. Empirically, we observe that Temperature Sampling converges more quickly but is prone to overfitting. We argue that this faster convergence is likely due to the lower variance in gradient estimations, as shown theoretically. Based on these insights, we propose Cooldown, a strategy that reduces sampling temperature during training, accelerating convergence without overfitting to low-resource languages. Our method is competitive with existing data re-weighting and offers computational efficiency.

Direct Preference Optimization (DPO) has emerged as a de-facto approach for aligning language models with human preferences. Recent work has shown DPO's effectiveness relies on training data quality. In particular, clear quality differences between preferred and rejected responses enhance learning performance. Current methods for identifying and obtaining such high-quality samples demand additional resources or external models. We discover that reference model probability space naturally detects high-quality training samples. Using this insight, we present a sampling strategy that achieves consistent improvements (+0.1 to +0.4) on MT-Bench while using less than half (30-50%) of the training data. We observe substantial improvements (+0.4 to +0.98) for technical tasks (coding, math, and reasoning) across multiple models and hyperparameter settings.

Given an algorithmic predictor that is accurate on some source population consisting of strategic human decision subjects, will it remain accurate if the population respond to it? In our setting, an agent or a user corresponds to a sample (X,Y) drawn from a distribution D and will face a model h and its classification result h(X). Agents can modify X to adapt to h, which will incur a distribution shift on (X,Y). Our formulation is motivated by applications where the deployed machine learning models are subjected to human agents, and will ultimately face responsive and interactive data distributions. We formalize the discussions of the transferability of a model by studying how the performance of the model trained on the available source distribution (data) would translate to the performance on its induced domain. We provide both upper bounds for the performance gap due to the induced domain shift, as well as lower bounds for the trade-offs that a classifier has to suffer on either the source training distribution or the induced target distribution. We provide further instantiated analysis for two popular domain adaptation settings, including covariate shift and target shift.

While modern Text-to-Speech (TTS) systems can produce speech rated highly in terms of subjective evaluation, the distance between real and synthetic speech distributions remains understudied, where we use the term distribution to mean the sample space of all possible real speech recordings from a given set of speakers; or of the synthetic samples that could be generated for the same set of speakers. We evaluate the distance of real and synthetic speech distributions along the dimensions of the acoustic environment, speaker characteristics and prosody using a range of speech processing measures and the respective Wasserstein distances of their distributions. We reduce these distribution distances along said dimensions by providing utterance-level information derived from the measures to the model and show they can be generated at inference time. The improvements to the dimensions translate to overall distribution distance reduction approximated using Automatic Speech Recognition (ASR) by evaluating the fitness of the synthetic data as training data.

Machine learning (ML) holds great potential for accurately forecasting treatment outcomes over time, which could ultimately enable the adoption of more individualized treatment strategies in many practical applications. However, a significant challenge that has been largely overlooked by the ML literature on this topic is the presence of informative sampling in observational data. When instances are observed irregularly over time, sampling times are typically not random, but rather informative -- depending on the instance's characteristics, past outcomes, and administered treatments. In this work, we formalize informative sampling as a covariate shift problem and show that it can prohibit accurate estimation of treatment outcomes if not properly accounted for. To overcome this challenge, we present a general framework for learning treatment outcomes in the presence of informative sampling using inverse intensity-weighting, and propose a novel method, TESAR-CDE, that instantiates this framework using Neural CDEs. Using a simulation environment based on a clinical use case, we demonstrate the effectiveness of our approach in learning under informative sampling.

Real-world machine learning deployments are characterized by mismatches between the source (training) and target (test) distributions that may cause performance drops. In this work, we investigate methods for predicting the target domain accuracy using only labeled source data and unlabeled target data. We propose Average Thresholded Confidence (ATC), a practical method that learns a threshold on the model's confidence, predicting accuracy as the fraction of unlabeled examples for which model confidence exceeds that threshold. ATC outperforms previous methods across several model architectures, types of distribution shifts (e.g., due to synthetic corruptions, dataset reproduction, or novel subpopulations), and datasets (Wilds, ImageNet, Breeds, CIFAR, and MNIST). In our experiments, ATC estimates target performance 2-4times more accurately than prior methods. We also explore the theoretical foundations of the problem, proving that, in general, identifying the accuracy is just as hard as identifying the optimal predictor and thus, the efficacy of any method rests upon (perhaps unstated) assumptions on the nature of the shift. Finally, analyzing our method on some toy distributions, we provide insights concerning when it works. Code is available at https://github.com/saurabhgarg1996/ATC_code/.

We give the first efficient algorithm for learning halfspaces in the testable learning model recently defined by Rubinfeld and Vasilyan (2023). In this model, a learner certifies that the accuracy of its output hypothesis is near optimal whenever the training set passes an associated test, and training sets drawn from some target distribution -- e.g., the Gaussian -- must pass the test. This model is more challenging than distribution-specific agnostic or Massart noise models where the learner is allowed to fail arbitrarily if the distributional assumption does not hold. We consider the setting where the target distribution is Gaussian (or more generally any strongly log-concave distribution) in d dimensions and the noise model is either Massart or adversarial (agnostic). For Massart noise, our tester-learner runs in polynomial time and outputs a hypothesis with (information-theoretically optimal) error opt + epsilon for any strongly log-concave target distribution. For adversarial noise, our tester-learner obtains error O(opt) + epsilon in polynomial time when the target distribution is Gaussian; for strongly log-concave distributions, we obtain O(opt) + epsilon in quasipolynomial time. Prior work on testable learning ignores the labels in the training set and checks that the empirical moments of the covariates are close to the moments of the base distribution. Here we develop new tests of independent interest that make critical use of the labels and combine them with the moment-matching approach of Gollakota et al. (2023). This enables us to simulate a variant of the algorithm of Diakonikolas et al. (2020) for learning noisy halfspaces using nonconvex SGD but in the testable learning setting.

Large language models show great potential in generating and optimizing code. Widely used sampling methods such as Nucleus Sampling increase the diversity of generation but often produce repeated samples for low temperatures and incoherent samples for high temperatures. Furthermore, the temperature coefficient has to be tuned for each task, limiting its usability. We present Priority Sampling, a simple and deterministic sampling technique that produces unique samples ordered by the model's confidence. Each new sample expands the unexpanded token with the highest probability in the augmented search tree. Additionally, Priority Sampling supports generation based on regular expression that provides a controllable and structured exploration process. Priority Sampling outperforms Nucleus Sampling for any number of samples, boosting the performance of the original model from 2.87% to 5% improvement over -Oz. Moreover, it outperforms the autotuner used for the generation of labels for the training of the original model in just 30 samples.

We introduce a boosting algorithm to pre-process data for fairness. Starting from an initial fair but inaccurate distribution, our approach shifts towards better data fitting while still ensuring a minimal fairness guarantee. To do so, it learns the sufficient statistics of an exponential family with boosting-compliant convergence. Importantly, we are able to theoretically prove that the learned distribution will have a representation rate and statistical rate data fairness guarantee. Unlike recent optimization based pre-processing methods, our approach can be easily adapted for continuous domain features. Furthermore, when the weak learners are specified to be decision trees, the sufficient statistics of the learned distribution can be examined to provide clues on sources of (un)fairness. Empirical results are present to display the quality of result on real-world data.

We propose an alternate approach to quantifying how well language models learn natural language: we ask how well they match the statistical tendencies of natural language. To answer this question, we analyze whether text generated from language models exhibits the statistical tendencies present in the human-generated text on which they were trained. We provide a framework--paired with significance tests--for evaluating the fit of language models to these trends. We find that neural language models appear to learn only a subset of the tendencies considered, but align much more closely with empirical trends than proposed theoretical distributions (when present). Further, the fit to different distributions is highly-dependent on both model architecture and generation strategy. As concrete examples, text generated under the nucleus sampling scheme adheres more closely to the type--token relationship of natural language than text produced using standard ancestral sampling; text from LSTMs reflects the natural language distributions over length, stopwords, and symbols surprisingly well.

An oft-cited open problem of federated learning is the existence of data heterogeneity at the clients. One pathway to understanding the drastic accuracy drop in federated learning is by scrutinizing the behavior of the clients' deep models on data with different levels of "difficulty", which has been left unaddressed. In this paper, we investigate a different and rarely studied dimension of FL: ordered learning. Specifically, we aim to investigate how ordered learning principles can contribute to alleviating the heterogeneity effects in FL. We present theoretical analysis and conduct extensive empirical studies on the efficacy of orderings spanning three kinds of learning: curriculum, anti-curriculum, and random curriculum. We find that curriculum learning largely alleviates non-IIDness. Interestingly, the more disparate the data distributions across clients the more they benefit from ordered learning. We provide analysis explaining this phenomenon, specifically indicating how curriculum training appears to make the objective landscape progressively less convex, suggesting fast converging iterations at the beginning of the training procedure. We derive quantitative results of convergence for both convex and nonconvex objectives by modeling the curriculum training on federated devices as local SGD with locally biased stochastic gradients. Also, inspired by ordered learning, we propose a novel client selection technique that benefits from the real-world disparity in the clients. Our proposed approach to client selection has a synergic effect when applied together with ordered learning in FL.

Collections of probability distributions arise in a variety of applications ranging from user activity pattern analysis to brain connectomics. In practice these distributions can be defined over diverse domain types including finite intervals, circles, cylinders, spheres, other manifolds, and graphs. This paper introduces an approach for detecting differences between two collections of distributions over such general domains. To this end, we propose the intrinsic slicing construction that yields a novel class of Wasserstein distances on manifolds and graphs. These distances are Hilbert embeddable, allowing us to reduce the distribution collection comparison problem to a more familiar mean testing problem in a Hilbert space. We provide two testing procedures one based on resampling and another on combining p-values from coordinate-wise tests. Our experiments in various synthetic and real data settings show that the resulting tests are powerful and the p-values are well-calibrated.

Generative Flow Networks (GFlowNets) are amortized sampling methods that learn a distribution over discrete objects proportional to their rewards. GFlowNets exhibit a remarkable ability to generate diverse samples, yet occasionally struggle to consistently produce samples with high rewards due to over-exploration on wide sample space. This paper proposes to train GFlowNets with local search, which focuses on exploiting high-rewarded sample space to resolve this issue. Our main idea is to explore the local neighborhood via backtracking and reconstruction guided by backward and forward policies, respectively. This allows biasing the samples toward high-reward solutions, which is not possible for a typical GFlowNet solution generation scheme, which uses the forward policy to generate the solution from scratch. Extensive experiments demonstrate a remarkable performance improvement in several biochemical tasks. Source code is available: https://github.com/dbsxodud-11/ls_gfn.

The proliferation of pretrained models, as a result of advancements in pretraining techniques, has led to the emergence of a vast zoo of publicly available models. Effectively utilizing these resources to obtain models with robust out-of-distribution generalization capabilities for downstream tasks has become a crucial area of research. Previous research has primarily focused on identifying the most powerful models within the model zoo, neglecting to fully leverage the diverse inductive biases contained within. This paper argues that the knowledge contained in weaker models is valuable and presents a method for leveraging the diversity within the model zoo to improve out-of-distribution generalization capabilities. Specifically, we investigate the behaviors of various pretrained models across different domains of downstream tasks by characterizing the variations in their encoded representations in terms of two dimensions: diversity shift and correlation shift. This characterization enables us to propose a new algorithm for integrating diverse pretrained models, not limited to the strongest models, in order to achieve enhanced out-of-distribution generalization performance. Our proposed method demonstrates state-of-the-art empirical results on a variety of datasets, thus validating the benefits of utilizing diverse knowledge.

We build four new test sets for the Stanford Question Answering Dataset (SQuAD) and evaluate the ability of question-answering systems to generalize to new data. Our first test set is from the original Wikipedia domain and measures the extent to which existing systems overfit the original test set. Despite several years of heavy test set re-use, we find no evidence of adaptive overfitting. The remaining three test sets are constructed from New York Times articles, Reddit posts, and Amazon product reviews and measure robustness to natural distribution shifts. Across a broad range of models, we observe average performance drops of 3.8, 14.0, and 17.4 F1 points, respectively. In contrast, a strong human baseline matches or exceeds the performance of SQuAD models on the original domain and exhibits little to no drop in new domains. Taken together, our results confirm the surprising resilience of the holdout method and emphasize the need to move towards evaluation metrics that incorporate robustness to natural distribution shifts.

Pretraining datasets for large language models (LLMs) have grown to trillions of tokens composed of large amounts of CommonCrawl (CC) web scrape along with smaller, domain-specific datasets. It is expensive to understand the impact of these domain-specific datasets on model capabilities as training at large FLOP scales is required to reveal significant changes to difficult and emergent benchmarks. Given the increasing cost of experimenting with pretraining data, how does one determine the optimal balance between the diversity in general web scrapes and the information density of domain specific data? In this work, we show how to leverage the smaller domain specific datasets by upsampling them relative to CC at the end of training to drive performance improvements on difficult benchmarks. This simple technique allows us to improve up to 6.90 pp on MMLU, 8.26 pp on GSM8K, and 6.17 pp on HumanEval relative to the base data mix for a 7B model trained for 1 trillion (T) tokens, thus rivaling Llama-2 (7B)x2014a model trained for twice as long. We experiment with ablating the duration of domain upsampling from 5% to 30% of training and find that 10% to 20% percent is optimal for navigating the tradeoff between general language modeling capabilities and targeted benchmarks. We also use domain upsampling to characterize at scale the utility of individual datasets for improving various benchmarks by removing them during this final phase of training. This tool opens up the ability to experiment with the impact of different pretraining datasets at scale, but at an order of magnitude lower cost compared to full pretraining runs.

Popular approaches for quantifying predictive uncertainty in deep neural networks often involve distributions over weights or multiple models, for instance via Markov Chain sampling, ensembling, or Monte Carlo dropout. These techniques usually incur overhead by having to train multiple model instances or do not produce very diverse predictions. This comprehensive and extensive survey aims to familiarize the reader with an alternative class of models based on the concept of Evidential Deep Learning: For unfamiliar data, they aim to admit "what they don't know", and fall back onto a prior belief. Furthermore, they allow uncertainty estimation in a single model and forward pass by parameterizing distributions over distributions. This survey recapitulates existing works, focusing on the implementation in a classification setting, before surveying the application of the same paradigm to regression. We also reflect on the strengths and weaknesses compared to other existing methods and provide the most fundamental derivations using a unified notation to aid future research.

Machine learning especially deep neural networks have achieved great success but many of them often rely on a number of labeled samples for supervision. As sufficient labeled training data are not always ready due to e.g., continuously emerging prediction targets and costly sample annotation in real world applications, machine learning with sample shortage is now being widely investigated. Among all these studies, many prefer to utilize auxiliary information including those in the form of Knowledge Graph (KG) to reduce the reliance on labeled samples. In this survey, we have comprehensively reviewed over 90 papers about KG-aware research for two major sample shortage settings -- zero-shot learning (ZSL) where some classes to be predicted have no labeled samples, and few-shot learning (FSL) where some classes to be predicted have only a small number of labeled samples that are available. We first introduce KGs used in ZSL and FSL as well as their construction methods, and then systematically categorize and summarize KG-aware ZSL and FSL methods, dividing them into different paradigms such as the mapping-based, the data augmentation, the propagation-based and the optimization-based. We next present different applications, including not only KG augmented prediction tasks such as image classification, question answering, text classification and knowledge extraction, but also KG completion tasks, and some typical evaluation resources for each task. We eventually discuss some challenges and open problems from different perspectives.

The popularization of Text-to-Image (T2I) diffusion models enables the generation of high-quality images from text descriptions. However, generating diverse customized images with reference visual attributes remains challenging. This work focuses on personalizing T2I diffusion models at a more abstract concept or category level, adapting commonalities from a set of reference images while creating new instances with sufficient variations. We introduce a solution that allows a pretrained T2I diffusion model to learn a set of soft prompts, enabling the generation of novel images by sampling prompts from the learned distribution. These prompts offer text-guided editing capabilities and additional flexibility in controlling variation and mixing between multiple distributions. We also show the adaptability of the learned prompt distribution to other tasks, such as text-to-3D. Finally we demonstrate effectiveness of our approach through quantitative analysis including automatic evaluation and human assessment. Project website: https://briannlongzhao.github.io/DreamDistribution

How do large language models (LLMs) develop and evolve over the course of training? How do these patterns change as models scale? To answer these questions, we introduce Pythia, a suite of 16 LLMs all trained on public data seen in the exact same order and ranging in size from 70M to 12B parameters. We provide public access to 154 checkpoints for each one of the 16 models, alongside tools to download and reconstruct their exact training dataloaders for further study. We intend Pythia to facilitate research in many areas, and we present several case studies including novel results in memorization, term frequency effects on few-shot performance, and reducing gender bias. We demonstrate that this highly controlled setup can be used to yield novel insights toward LLMs and their training dynamics. Trained models, analysis code, training code, and training data can be found at https://github.com/EleutherAI/pythia.

We propose an approach to estimate the number of samples required for a model to reach a target performance. We find that the power law, the de facto principle to estimate model performance, leads to large error when using a small dataset (e.g., 5 samples per class) for extrapolation. This is because the log-performance error against the log-dataset size follows a nonlinear progression in the few-shot regime followed by a linear progression in the high-shot regime. We introduce a novel piecewise power law (PPL) that handles the two data regimes differently. To estimate the parameters of the PPL, we introduce a random forest regressor trained via meta learning that generalizes across classification/detection tasks, ResNet/ViT based architectures, and random/pre-trained initializations. The PPL improves the performance estimation on average by 37% across 16 classification and 33% across 10 detection datasets, compared to the power law. We further extend the PPL to provide a confidence bound and use it to limit the prediction horizon that reduces over-estimation of data by 76% on classification and 91% on detection datasets.

Feature attribution methods identify which features of an input most influence a model's output. Most widely-used feature attribution methods (such as SHAP, LIME, and Grad-CAM) are "class-dependent" methods in that they generate a feature attribution vector as a function of class. In this work, we demonstrate that class-dependent methods can "leak" information about the selected class, making that class appear more likely than it is. Thus, an end user runs the risk of drawing false conclusions when interpreting an explanation generated by a class-dependent method. In contrast, we introduce "distribution-aware" methods, which favor explanations that keep the label's distribution close to its distribution given all features of the input. We introduce SHAP-KL and FastSHAP-KL, two baseline distribution-aware methods that compute Shapley values. Finally, we perform a comprehensive evaluation of seven class-dependent and three distribution-aware methods on three clinical datasets of different high-dimensional data types: images, biosignals, and text.

Recent studies indicate that NLU models are prone to rely on shortcut features for prediction, without achieving true language understanding. As a result, these models fail to generalize to real-world out-of-distribution data. In this work, we show that the words in the NLU training set can be modeled as a long-tailed distribution. There are two findings: 1) NLU models have strong preference for features located at the head of the long-tailed distribution, and 2) Shortcut features are picked up during very early few iterations of the model training. These two observations are further employed to formulate a measurement which can quantify the shortcut degree of each training sample. Based on this shortcut measurement, we propose a shortcut mitigation framework LTGR, to suppress the model from making overconfident predictions for samples with large shortcut degree. Experimental results on three NLU benchmarks demonstrate that our long-tailed distribution explanation accurately reflects the shortcut learning behavior of NLU models. Experimental analysis further indicates that LTGR can improve the generalization accuracy on OOD data, while preserving the accuracy on in-distribution data.

Knowledge distillation aims to learn a lightweight student network from a pre-trained teacher network. In practice, existing knowledge distillation methods are usually infeasible when the original training data is unavailable due to some privacy issues and data management considerations. Therefore, data-free knowledge distillation approaches proposed to collect training instances from the Internet. However, most of them have ignored the common distribution shift between the instances from original training data and webly collected data, affecting the reliability of the trained student network. To solve this problem, we propose a novel method dubbed ``Knowledge Distillation between Different Distributions" (KD^{3}), which consists of three components. Specifically, we first dynamically select useful training instances from the webly collected data according to the combined predictions of teacher network and student network. Subsequently, we align both the weighted features and classifier parameters of the two networks for knowledge memorization. Meanwhile, we also build a new contrastive learning block called MixDistribution to generate perturbed data with a new distribution for instance alignment, so that the student network can further learn a distribution-invariant representation. Intensive experiments on various benchmark datasets demonstrate that our proposed KD^{3} can outperform the state-of-the-art data-free knowledge distillation approaches.

This paper introduces a new testbed CLIFT (Clinical Shift) for the clinical domain Question-answering task. The testbed includes 7.5k high-quality question answering samples to provide a diverse and reliable benchmark. We performed a comprehensive experimental study and evaluated several QA deep-learning models under the proposed testbed. Despite impressive results on the original test set, the performance degrades when applied to new test sets, which shows the distribution shift. Our findings emphasize the need for and the potential for increasing the robustness of clinical domain models under distributional shifts. The testbed offers one way to track progress in that direction. It also highlights the necessity of adopting evaluation metrics that consider robustness to natural distribution shifts. We plan to expand the corpus by adding more samples and model results. The full paper and the updated benchmark are available at github.com/openlifescience-ai/clift

In large scale machine learning, random sampling is a popular way to approximate datasets by a small representative subset of examples. In particular, sensitivity sampling is an intensely studied technique which provides provable guarantees on the quality of approximation, while reducing the number of examples to the product of the VC dimension d and the total sensitivity mathfrak S in remarkably general settings. However, guarantees going beyond this general bound of mathfrak S d are known in perhaps only one setting, for ell_2 subspace embeddings, despite intense study of sensitivity sampling in prior work. In this work, we show the first bounds for sensitivity sampling for ell_p subspace embeddings for pneq 2 that improve over the general mathfrak S d bound, achieving a bound of roughly mathfrak S^{2/p} for 1leq p<2 and mathfrak S^{2-2/p} for 2<p<infty. For 1leq p<2, we show that this bound is tight, in the sense that there exist matrices for which mathfrak S^{2/p} samples is necessary. Furthermore, our techniques yield further new results in the study of sampling algorithms, showing that the root leverage score sampling algorithm achieves a bound of roughly d for 1leq p<2, and that a combination of leverage score and sensitivity sampling achieves an improved bound of roughly d^{2/p}mathfrak S^{2-4/p} for 2<p<infty. Our sensitivity sampling results yield the best known sample complexity for a wide class of structured matrices that have small ell_p sensitivity.

The rapid progress in generative models has resulted in impressive leaps in generation quality, blurring the lines between synthetic and real data. Web-scale datasets are now prone to the inevitable contamination by synthetic data, directly impacting the training of future generated models. Already, some theoretical results on self-consuming generative models (a.k.a., iterative retraining) have emerged in the literature, showcasing that either model collapse or stability could be possible depending on the fraction of generated data used at each retraining step. However, in practice, synthetic data is often subject to human feedback and curated by users before being used and uploaded online. For instance, many interfaces of popular text-to-image generative models, such as Stable Diffusion or Midjourney, produce several variations of an image for a given query which can eventually be curated by the users. In this paper, we theoretically study the impact of data curation on iterated retraining of generative models and show that it can be seen as an implicit preference optimization mechanism. However, unlike standard preference optimization, the generative model does not have access to the reward function or negative samples needed for pairwise comparisons. Moreover, our study doesn't require access to the density function, only to samples. We prove that, if the data is curated according to a reward model, then the expected reward of the iterative retraining procedure is maximized. We further provide theoretical results on the stability of the retraining loop when using a positive fraction of real data at each step. Finally, we conduct illustrative experiments on both synthetic datasets and on CIFAR10 showing that such a procedure amplifies biases of the reward model.

Language model training in distributed settings is limited by the communication cost of gradient exchanges. In this short note, we extend recent work from Malladi et al. (2023), using shared randomness to perform distributed fine-tuning with low bandwidth. The method is a natural decentralized extension of memory-efficient Simultaneous Perturbation Stochastic Approximation (SPSA). Each iteration, each machine seeds a Random Number Generator (RNG) to perform local reproducible perturbations on model weights and calculate and exchange scalar projected gradients, which are then used to update each model. By using a (machine, sample) identifier as the random seed, each model can regenerate one another's perturbations. As machines only exchange single-byte projected gradients, this is highly communication efficient. There are also potential privacy benefits, as projected gradients may be calculated on different training data, and models never access the other's data. Our approach not only drastically reduces communication bandwidth requirements but also accommodates dynamic addition or removal of machines during the training process and retains the memory-efficient and inference-only advantages of recent work. We perform proof-of-concept experiments to demonstrate the potential usefulness of this method, building off of rich literature on distributed optimization and memory-efficient training.

State-of-the-art results on image recognition tasks are achieved using over-parameterized learning algorithms that (nearly) perfectly fit the training set and are known to fit well even random labels. This tendency to memorize the labels of the training data is not explained by existing theoretical analyses. Memorization of the training data also presents significant privacy risks when the training data contains sensitive personal information and thus it is important to understand whether such memorization is necessary for accurate learning. We provide the first conceptual explanation and a theoretical model for this phenomenon. Specifically, we demonstrate that for natural data distributions memorization of labels is necessary for achieving close-to-optimal generalization error. Crucially, even labels of outliers and noisy labels need to be memorized. The model is motivated and supported by the results of several recent empirical works. In our model, data is sampled from a mixture of subpopulations and our results show that memorization is necessary whenever the distribution of subpopulation frequencies is long-tailed. Image and text data is known to be long-tailed and therefore our results establish a formal link between these empirical phenomena. Our results allow to quantify the cost of limiting memorization in learning and explain the disparate effects that privacy and model compression have on different subgroups.

Pretraining data of large language models composes multiple domains (e.g., web texts, academic papers, codes), whose mixture proportions crucially impact the competence of outcome models. While existing endeavors rely on heuristics or qualitative strategies to tune the proportions, we discover the quantitative predictability of model performance regarding the mixture proportions in function forms, which we refer to as the data mixing laws. Fitting such functions on sample mixtures unveils model performance on unseen mixtures before actual runs, thus guiding the selection of an ideal data mixture. Furthermore, we propose nested use of the scaling laws of training steps, model sizes, and our data mixing law to enable predicting the performance of large models trained on massive data under various mixtures with only small-scale training. Moreover, experimental results verify that our method effectively optimizes the training mixture of a 1B model trained for 100B tokens in RedPajama, reaching a performance comparable to the one trained for 48% more steps on the default mixture. Extending the application of data mixing laws to continual training accurately predicts the critical mixture proportion that avoids catastrophic forgetting and outlooks the potential for dynamic data schedules

In open-ended natural-language generation, existing text decoding methods typically struggle to produce text which is both diverse and high-quality. Greedy and beam search are known to suffer from text degeneration and linguistic diversity issues, while temperature, top-k, and nucleus sampling often yield diverse but low-quality outputs. In this work, we present crowd sampling, a family of decoding methods based on Bayesian risk minimization, to address this diversity-quality trade-off. Inspired by the principle of "the wisdom of the crowd," crowd sampling seeks to select a candidate from a pool of candidates that has the least expected risk (i.e., highest expected reward) under a generative model according to a given utility function. Crowd sampling can be seen as a generalization of numerous existing methods, including majority voting, and in practice, it can be used as a drop-in replacement for existing sampling methods. Extensive experiments show that crowd sampling delivers improvements of 3-7 ROUGE and BLEU points across a wide range of tasks, including summarization, data-to-text, translation, and textual style transfer, while achieving new state-of-the-art results on WebNLG and WMT'16.

The quality of training data impacts the performance of pre-trained large language models (LMs). Given a fixed budget of tokens, we study how to best select data that leads to good downstream model performance across tasks. We develop a new framework based on a simple hypothesis: just as humans acquire interdependent skills in a deliberate order, language models also follow a natural order when learning a set of skills from their training data. If such an order exists, it can be utilized for improved understanding of LMs and for data-efficient training. Using this intuition, our framework formalizes the notion of a skill and of an ordered set of skills in terms of the associated data. First, using both synthetic and real data, we demonstrate that these ordered skill sets exist, and that their existence enables more advanced skills to be learned with less data when we train on their prerequisite skills. Second, using our proposed framework, we introduce an online data sampling algorithm, Skill-It, over mixtures of skills for both continual pre-training and fine-tuning regimes, where the objective is to efficiently learn multiple skills in the former and an individual skill in the latter. On the LEGO synthetic in the continual pre-training setting, Skill-It obtains 36.5 points higher accuracy than random sampling. On the Natural Instructions dataset in the fine-tuning setting, Skill-It reduces the validation loss on the target skill by 13.6% versus training on data associated with the target skill itself. We apply our skills framework on the recent RedPajama dataset to continually pre-train a 3B-parameter LM, achieving higher accuracy on the LM Evaluation Harness with 1B tokens than the baseline approach of sampling uniformly over data sources with 3B tokens.

We begin the study of list-decodable linear regression using batches. In this setting only an alpha in (0,1] fraction of the batches are genuine. Each genuine batch contains ge n i.i.d. samples from a common unknown distribution and the remaining batches may contain arbitrary or even adversarial samples. We derive a polynomial time algorithm that for any nge tilde Omega(1/alpha) returns a list of size mathcal O(1/alpha^2) such that one of the items in the list is close to the true regression parameter. The algorithm requires only mathcal{O}(d/alpha^2) genuine batches and works under fairly general assumptions on the distribution. The results demonstrate the utility of batch structure, which allows for the first polynomial time algorithm for list-decodable regression, which may be impossible for the non-batch setting, as suggested by a recent SQ lower bound diakonikolas2021statistical for the non-batch setting.

The ability for a machine learning model to cope with differences in training and deployment conditions--e.g. in the presence of distribution shift or the generalization to new classes altogether--is crucial for real-world use cases. However, most empirical work in this area has focused on the image domain with artificial benchmarks constructed to measure individual aspects of generalization. We present BIRB, a complex benchmark centered on the retrieval of bird vocalizations from passively-recorded datasets given focal recordings from a large citizen science corpus available for training. We propose a baseline system for this collection of tasks using representation learning and a nearest-centroid search. Our thorough empirical evaluation and analysis surfaces open research directions, suggesting that BIRB fills the need for a more realistic and complex benchmark to drive progress on robustness to distribution shifts and generalization of ML models.

We consider a scenario where we have access to the target domain, but cannot afford on-the-fly training data annotation, and instead would like to construct an alternative training set from a large-scale data pool such that a competitive model can be obtained. We propose a search and pruning (SnP) solution to this training data search problem, tailored to object re-identification (re-ID), an application aiming to match the same object captured by different cameras. Specifically, the search stage identifies and merges clusters of source identities which exhibit similar distributions with the target domain. The second stage, subject to a budget, then selects identities and their images from the Stage I output, to control the size of the resulting training set for efficient training. The two steps provide us with training sets 80\% smaller than the source pool while achieving a similar or even higher re-ID accuracy. These training sets are also shown to be superior to a few existing search methods such as random sampling and greedy sampling under the same budget on training data size. If we release the budget, training sets resulting from the first stage alone allow even higher re-ID accuracy. We provide interesting discussions on the specificity of our method to the re-ID problem and particularly its role in bridging the re-ID domain gap. The code is available at https://github.com/yorkeyao/SnP.

We develop a method to generate predictive regions that cover a multivariate response variable with a user-specified probability. Our work is composed of two components. First, we use a deep generative model to learn a representation of the response that has a unimodal distribution. Existing multiple-output quantile regression approaches are effective in such cases, so we apply them on the learned representation, and then transform the solution to the original space of the response. This process results in a flexible and informative region that can have an arbitrary shape, a property that existing methods lack. Second, we propose an extension of conformal prediction to the multivariate response setting that modifies any method to return sets with a pre-specified coverage level. The desired coverage is theoretically guaranteed in the finite-sample case for any distribution. Experiments conducted on both real and synthetic data show that our method constructs regions that are significantly smaller compared to existing techniques.

We propose a novel framework for incorporating unlabeled data into semi-supervised classification problems, where scenarios involving the minimization of either i) adversarially robust or ii) non-robust loss functions have been considered. Notably, we allow the unlabeled samples to deviate slightly (in total variation sense) from the in-domain distribution. The core idea behind our framework is to combine Distributionally Robust Optimization (DRO) with self-supervised training. As a result, we also leverage efficient polynomial-time algorithms for the training stage. From a theoretical standpoint, we apply our framework on the classification problem of a mixture of two Gaussians in R^d, where in addition to the m independent and labeled samples from the true distribution, a set of n (usually with ngg m) out of domain and unlabeled samples are given as well. Using only the labeled data, it is known that the generalization error can be bounded by proptoleft(d/mright)^{1/2}. However, using our method on both isotropic and non-isotropic Gaussian mixture models, one can derive a new set of analytically explicit and non-asymptotic bounds which show substantial improvement on the generalization error compared to ERM. Our results underscore two significant insights: 1) out-of-domain samples, even when unlabeled, can be harnessed to narrow the generalization gap, provided that the true data distribution adheres to a form of the ``cluster assumption", and 2) the semi-supervised learning paradigm can be regarded as a special case of our framework when there are no distributional shifts. We validate our claims through experiments conducted on a variety of synthetic and real-world datasets.

Given a sample of size N, it is often useful to select a subsample of smaller size n<N to be used for statistical estimation or learning. Such a data selection step is useful to reduce the requirements of data labeling and the computational complexity of learning. We assume to be given N unlabeled samples {{boldsymbol x}_i}_{ile N}, and to be given access to a `surrogate model' that can predict labels y_i better than random guessing. Our goal is to select a subset of the samples, to be denoted by {{boldsymbol x}_i}_{iin G}, of size |G|=n<N. We then acquire labels for this set and we use them to train a model via regularized empirical risk minimization. By using a mixture of numerical experiments on real and synthetic data, and mathematical derivations under low- and high- dimensional asymptotics, we show that: (i)~Data selection can be very effective, in particular beating training on the full sample in some cases; (ii)~Certain popular choices in data selection methods (e.g. unbiased reweighted subsampling, or influence function-based subsampling) can be substantially suboptimal.

Machine learning is now used in many applications thanks to its ability to predict, generate, or discover patterns from large quantities of data. However, the process of collecting and transforming data for practical use is intricate. Even in today's digital era, where substantial data is generated daily, it is uncommon for it to be readily usable; most often, it necessitates meticulous manual data preparation. The haste in developing new models can frequently result in various shortcomings, potentially posing risks when deployed in real-world scenarios (eg social discrimination, critical failures), leading to the failure or substantial escalation of costs in AI-based projects. This chapter provides a comprehensive overview of established methodological tools, enriched by our practical experience, in the development of datasets for machine learning. Initially, we develop the tasks involved in dataset development and offer insights into their effective management (including requirements, design, implementation, evaluation, distribution, and maintenance). Then, we provide more details about the implementation process which includes data collection, transformation, and quality evaluation. Finally, we address practical considerations regarding dataset distribution and maintenance.

We study the performance of transformers as a function of the number of repetitions of training examples with algorithmically generated datasets. On three problems of mathematics: the greatest common divisor, modular multiplication, and matrix eigenvalues, we show that for a fixed number of training steps, models trained on smaller sets of repeated examples outperform models trained on larger sets of single-use examples. We also demonstrate that two-set training - repeated use of a small random subset of examples, along normal sampling on the rest of the training set - provides for faster learning and better performance. This highlights that the benefits of repetition can outweigh those of data diversity. These datasets and problems provide a controlled setting to shed light on the still poorly understood interplay between generalization and memorization in deep learning.

Scaling the amount of compute used to train language models has dramatically improved their capabilities. However, when it comes to inference, we often limit the amount of compute to only one attempt per problem. Here, we explore inference compute as another axis for scaling by increasing the number of generated samples. Across multiple tasks and models, we observe that coverage - the fraction of problems solved by any attempt - scales with the number of samples over four orders of magnitude. In domains like coding and formal proofs, where all answers can be automatically verified, these increases in coverage directly translate into improved performance. When we apply repeated sampling to SWE-bench Lite, the fraction of issues solved with DeepSeek-V2-Coder-Instruct increases from 15.9% with one sample to 56% with 250 samples, outperforming the single-attempt state-of-the-art of 43% which uses more capable frontier models. Moreover, using current API pricing, amplifying the cheaper DeepSeek model with five samples is more cost-effective and solves more issues than paying a premium for one sample from GPT-4o or Claude 3.5 Sonnet. Interestingly, the relationship between coverage and the number of samples is often log-linear and can be modelled with an exponentiated power law, suggesting the existence of inference-time scaling laws. Finally, we find that identifying correct samples out of many generations remains an important direction for future research in domains without automatic verifiers. When solving math word problems from GSM8K and MATH, coverage with Llama-3 models grows to over 95% with 10,000 samples. However, common methods to pick correct solutions from a sample collection, such as majority voting or reward models, plateau beyond several hundred samples and fail to fully scale with the sample budget.

Language models are often trained to maximize the likelihood of the next token given past tokens in the training dataset. However, during inference time, they are utilized differently, generating text sequentially and auto-regressively by using previously generated tokens as input to predict the next one. Marginal differences in predictions at each step can cascade over successive steps, resulting in different distributions from what the models were trained for and potentially leading to unpredictable behavior. This paper proposes two simple approaches based on model own generation to address this discrepancy between the training and inference time. Our first approach is Batch-Scheduled Sampling, where, during training, we stochastically choose between the ground-truth token from the dataset and the model's own generated token as input to predict the next token. This is done in an offline manner, modifying the context window by interleaving ground-truth tokens with those generated by the model. Our second approach is Reference-Answer-based Correction, where we explicitly incorporate a self-correction capability into the model during training. This enables the model to effectively self-correct the gaps between the generated sequences and the ground truth data without relying on an external oracle model. By incorporating our proposed strategies during training, we have observed an overall improvement in performance compared to baseline methods, as demonstrated by our extensive experiments using summarization, general question-answering, and math question-answering tasks.

Consistency models are a nascent family of generative models that can sample high quality data in one step without the need for adversarial training. Current consistency models achieve optimal sample quality by distilling from pre-trained diffusion models and employing learned metrics such as LPIPS. However, distillation limits the quality of consistency models to that of the pre-trained diffusion model, and LPIPS causes undesirable bias in evaluation. To tackle these challenges, we present improved techniques for consistency training, where consistency models learn directly from data without distillation. We delve into the theory behind consistency training and identify a previously overlooked flaw, which we address by eliminating Exponential Moving Average from the teacher consistency model. To replace learned metrics like LPIPS, we adopt Pseudo-Huber losses from robust statistics. Additionally, we introduce a lognormal noise schedule for the consistency training objective, and propose to double total discretization steps every set number of training iterations. Combined with better hyperparameter tuning, these modifications enable consistency models to achieve FID scores of 2.51 and 3.25 on CIFAR-10 and ImageNet 64times 64 respectively in a single sampling step. These scores mark a 3.5times and 4times improvement compared to prior consistency training approaches. Through two-step sampling, we further reduce FID scores to 2.24 and 2.77 on these two datasets, surpassing those obtained via distillation in both one-step and two-step settings, while narrowing the gap between consistency models and other state-of-the-art generative models.

We present the task description of the Detection and Classification of Acoustic Scenes and Events (DCASE) 2023 Challenge Task 2: ``First-shot unsupervised anomalous sound detection (ASD) for machine condition monitoring''. The main goal is to enable rapid deployment of ASD systems for new kinds of machines without the need for hyperparameter tuning. In the past ASD tasks, developed methods tuned hyperparameters for each machine type, as the development and evaluation datasets had the same machine types. However, collecting normal and anomalous data as the development dataset can be infeasible in practice. In 2023 Task 2, we focus on solving the first-shot problem, which is the challenge of training a model on a completely novel machine type. Specifically, (i) each machine type has only one section (a subset of machine type) and (ii) machine types in the development and evaluation datasets are completely different. Analysis of 86 submissions from 23 teams revealed that the keys to outperform baselines were: 1) sampling techniques for dealing with class imbalances across different domains and attributes, 2) generation of synthetic samples for robust detection, and 3) use of multiple large pre-trained models to extract meaningful embeddings for the anomaly detector.

While score-based generative models are the model of choice across diverse domains, there are limited tools available for controlling inference-time behavior in a principled manner, e.g. for composing multiple pretrained models. Existing classifier-free guidance methods use a simple heuristic to mix conditional and unconditional scores to approximately sample from conditional distributions. However, such methods do not approximate the intermediate distributions, necessitating additional 'corrector' steps. In this work, we provide an efficient and principled method for sampling from a sequence of annealed, geometric-averaged, or product distributions derived from pretrained score-based models. We derive a weighted simulation scheme which we call Feynman-Kac Correctors (FKCs) based on the celebrated Feynman-Kac formula by carefully accounting for terms in the appropriate partial differential equations (PDEs). To simulate these PDEs, we propose Sequential Monte Carlo (SMC) resampling algorithms that leverage inference-time scaling to improve sampling quality. We empirically demonstrate the utility of our methods by proposing amortized sampling via inference-time temperature annealing, improving multi-objective molecule generation using pretrained models, and improving classifier-free guidance for text-to-image generation. Our code is available at https://github.com/martaskrt/fkc-diffusion.

Transfer learning with a small amount of target data is an effective and common approach to adapting a pre-trained model to distribution shifts. In some situations, target data labels may be expensive to obtain, so we may only have access to a limited number of target data points. To make the most of a very small target dataset, we propose a lightweight, sample-efficient approach that learns a diverse set of features and adapts to a target distribution by interpolating these features. Our approach, Project and Probe (Pro^2), first learns a linear projection that maps a pre-trained embedding onto orthogonal directions while being predictive of labels in the source dataset. The goal of this step is to learn a variety of predictive features, so that at least some of them remain useful after distribution shift. Pro^2 then learns a linear classifier on top of these projected features using a small target dataset. Theoretically, we find that Pro^2 results in more sample-efficient generalization by inducing a favorable bias-variance tradeoff. Our experiments on four datasets, with multiple distribution shift settings for each, show that Pro^2 improves performance by 5-15% when given limited target data compared to prior methods such as standard linear probing.

We consider the two related problems of detecting if an example is misclassified or out-of-distribution. We present a simple baseline that utilizes probabilities from softmax distributions. Correctly classified examples tend to have greater maximum softmax probabilities than erroneously classified and out-of-distribution examples, allowing for their detection. We assess performance by defining several tasks in computer vision, natural language processing, and automatic speech recognition, showing the effectiveness of this baseline across all. We then show the baseline can sometimes be surpassed, demonstrating the room for future research on these underexplored detection tasks.

For many evaluation metrics commonly used as benchmarks for unconditional image generation, trivially memorizing the training set attains a better score than models which are considered state-of-the-art; we consider this problematic. We clarify a necessary condition for an evaluation metric not to behave this way: estimating the function must require a large sample from the model. In search of such a metric, we turn to neural network divergences (NNDs), which are defined in terms of a neural network trained to distinguish between distributions. The resulting benchmarks cannot be "won" by training set memorization, while still being perceptually correlated and computable only from samples. We survey past work on using NNDs for evaluation and implement an example black-box metric based on these ideas. Through experimental validation we show that it can effectively measure diversity, sample quality, and generalization.

The presence of distribution shifts poses a significant challenge for deploying modern machine learning models in real-world applications. This work focuses on the target shift problem in a regression setting (Zhang et al., 2013; Nguyen et al., 2016). More specifically, the target variable y (also known as the response variable), which is continuous, has different marginal distributions in the training source and testing domain, while the conditional distribution of features x given y remains the same. While most literature focuses on classification tasks with finite target space, the regression problem has an infinite dimensional target space, which makes many of the existing methods inapplicable. In this work, we show that the continuous target shift problem can be addressed by estimating the importance weight function from an ill-posed integral equation. We propose a nonparametric regularized approach named ReTaSA to solve the ill-posed integral equation and provide theoretical justification for the estimated importance weight function. The effectiveness of the proposed method has been demonstrated with extensive numerical studies on synthetic and real-world datasets.

The word embedding space in neural models is skewed, and correcting this can improve task performance. We point out that most approaches for modeling, correcting, and measuring the symmetry of an embedding space implicitly assume that the word frequencies are uniform; in reality, word frequencies follow a highly non-uniform distribution, known as Zipf's law. Surprisingly, simply performing PCA whitening weighted by the empirical word frequency that follows Zipf's law significantly improves task performance, surpassing established baselines. From a theoretical perspective, both our approach and existing methods can be clearly categorized: word representations are distributed according to an exponential family with either uniform or Zipfian base measures. By adopting the latter approach, we can naturally emphasize informative low-frequency words in terms of their vector norm, which becomes evident from the information-geometric perspective, and in terms of the loss functions for imbalanced classification. Additionally, our theory corroborates that popular natural language processing methods, such as skip-gram negative sampling, WhiteningBERT, and headless language models, work well just because their word embeddings encode the empirical word frequency into the underlying probabilistic model.

Instance segmentation is data-hungry, and as model capacity increases, data scale becomes crucial for improving the accuracy. Most instance segmentation datasets today require costly manual annotation, limiting their data scale. Models trained on such data are prone to overfitting on the training set, especially for those rare categories. While recent works have delved into exploiting generative models to create synthetic datasets for data augmentation, these approaches do not efficiently harness the full potential of generative models. To address these issues, we introduce a more efficient strategy to construct generative datasets for data augmentation, termed DiverGen. Firstly, we provide an explanation of the role of generative data from the perspective of distribution discrepancy. We investigate the impact of different data on the distribution learned by the model. We argue that generative data can expand the data distribution that the model can learn, thus mitigating overfitting. Additionally, we find that the diversity of generative data is crucial for improving model performance and enhance it through various strategies, including category diversity, prompt diversity, and generative model diversity. With these strategies, we can scale the data to millions while maintaining the trend of model performance improvement. On the LVIS dataset, DiverGen significantly outperforms the strong model X-Paste, achieving +1.1 box AP and +1.1 mask AP across all categories, and +1.9 box AP and +2.5 mask AP for rare categories.

Large Language Models (LLMs) have advanced rapidly but face significant memory demands. While quantization has shown promise for LLMs, current methods typically require lengthy training to alleviate the performance degradation from quantization loss. However, deploying LLMs across diverse scenarios with different resource constraints, e.g., servers and personal computers, requires repeated training per application, which amplifies the lengthy training problem. Given that, it is advantageous to train a once-for-all (OFA) supernet capable of yielding diverse optimal subnets for downstream applications through one-shot training. Nonetheless, the scale of current language models impedes efficiency and amplifies interference from weight sharing between subnets. We make an initial attempt to extend the once-for-all framework to large language models. Specifically, we decouple shared weights to eliminate the interference and incorporate Low-Rank adapters for training efficiency. Furthermore, we observe the imbalance allocation of training resources from the traditional uniform sampling. A non-parametric scheduler is introduced to adjust the sampling rate for each quantization configuration, achieving a more balanced allocation among subnets with varying demands. We validate the approach on LLaMA2 families, and downstream evaluation confirms our ability to maintain high performance while significantly reducing deployment time faced with multiple scenarios.

Long samples of text from neural language models can be of poor quality. Truncation sampling algorithms--like top-p or top-k -- address this by setting some words' probabilities to zero at each step. This work provides framing for the aim of truncation, and an improved algorithm for that aim. We propose thinking of a neural language model as a mixture of a true distribution and a smoothing distribution that avoids infinite perplexity. In this light, truncation algorithms aim to perform desmoothing, estimating a subset of the support of the true distribution. Finding a good subset is crucial: we show that top-p unnecessarily truncates high-probability words, for example causing it to truncate all words but Trump for a document that starts with Donald. We introduce eta-sampling, which truncates words below an entropy-dependent probability threshold. Compared to previous algorithms, eta-sampling generates more plausible long English documents according to humans, is better at breaking out of repetition, and behaves more reasonably on a battery of test distributions.

Machine learning models frequently experience performance drops under distribution shifts. The underlying cause of such shifts may be multiple simultaneous factors such as changes in data quality, differences in specific covariate distributions, or changes in the relationship between label and features. When a model does fail during deployment, attributing performance change to these factors is critical for the model developer to identify the root cause and take mitigating actions. In this work, we introduce the problem of attributing performance differences between environments to distribution shifts in the underlying data generating mechanisms. We formulate the problem as a cooperative game where the players are distributions. We define the value of a set of distributions to be the change in model performance when only this set of distributions has changed between environments, and derive an importance weighting method for computing the value of an arbitrary set of distributions. The contribution of each distribution to the total performance change is then quantified as its Shapley value. We demonstrate the correctness and utility of our method on synthetic, semi-synthetic, and real-world case studies, showing its effectiveness in attributing performance changes to a wide range of distribution shifts.

A retrieval model should not only interpolate the training data but also extrapolate well to the queries that are different from the training data. While neural retrieval models have demonstrated impressive performance on ad-hoc search benchmarks, we still know little about how they perform in terms of interpolation and extrapolation. In this paper, we demonstrate the importance of separately evaluating the two capabilities of neural retrieval models. Firstly, we examine existing ad-hoc search benchmarks from the two perspectives. We investigate the distribution of training and test data and find a considerable overlap in query entities, query intent, and relevance labels. This finding implies that the evaluation on these test sets is biased toward interpolation and cannot accurately reflect the extrapolation capacity. Secondly, we propose a novel evaluation protocol to separately evaluate the interpolation and extrapolation performance on existing benchmark datasets. It resamples the training and test data based on query similarity and utilizes the resampled dataset for training and evaluation. Finally, we leverage the proposed evaluation protocol to comprehensively revisit a number of widely-adopted neural retrieval models. Results show models perform differently when moving from interpolation to extrapolation. For example, representation-based retrieval models perform almost as well as interaction-based retrieval models in terms of interpolation but not extrapolation. Therefore, it is necessary to separately evaluate both interpolation and extrapolation performance and the proposed resampling method serves as a simple yet effective evaluation tool for future IR studies.

Language models (LMs), like other neural networks, often favor shortcut heuristics based on surface-level patterns. Although LMs behave like n-gram models early in training, they must eventually learn hierarchical syntactic representations to correctly apply grammatical rules out-of-distribution (OOD). In this work, we use case studies of English grammar to explore how complex, diverse training data drives models to generalize OOD. We construct a framework that unifies our understanding of random variation with training dynamics, rule selection with memorization, and data diversity with complexity. We show that these factors are nuanced, and that intermediate levels of diversity and complexity lead to inconsistent behavior across random seeds and to unstable training dynamics. Our findings emphasize the critical role of training data in shaping generalization patterns and illuminate how competing model strategies lead to inconsistent generalization outcomes across random seeds. Code is available at https://github.com/sunnytqin/concept_comp.git.

Accelerating the sampling speed of diffusion models remains a significant challenge. Recent score distillation methods distill a heavy teacher model into an one-step student generator, which is optimized by calculating the difference between the two score functions on the samples generated by the student model. However, there is a score mismatch issue in the early stage of the distillation process, because existing methods mainly focus on using the endpoint of pre-trained diffusion models as teacher models, overlooking the importance of the convergence trajectory between the student generator and the teacher model. To address this issue, we extend the score distillation process by introducing the entire convergence trajectory of teacher models and propose Distribution Backtracking Distillation (DisBack) for distilling student generators. DisBask is composed of two stages: Degradation Recording and Distribution Backtracking. Degradation Recording is designed to obtain the convergence trajectory of teacher models, which records the degradation path from the trained teacher model to the untrained initial student generator. The degradation path implicitly represents the intermediate distributions of teacher models. Then Distribution Backtracking trains a student generator to backtrack the intermediate distributions for approximating the convergence trajectory of teacher models. Extensive experiments show that DisBack achieves faster and better convergence than the existing distillation method and accomplishes comparable generation performance. Notably, DisBack is easy to implement and can be generalized to existing distillation methods to boost performance. Our code is publicly available on https://github.com/SYZhang0805/DisBack.

Predicting simple function classes has been widely used as a testbed for developing theory and understanding of the trained Transformer's in-context learning (ICL) ability. In this paper, we revisit the training of Transformers on linear regression tasks, and different from all the existing literature, we consider a bi-objective prediction task of predicting both the conditional expectation E[Y|X] and the conditional variance Var(Y|X). This additional uncertainty quantification objective provides a handle to (i) better design out-of-distribution experiments to distinguish ICL from in-weight learning (IWL) and (ii) make a better separation between the algorithms with and without using the prior information of the training distribution. Theoretically, we show that the trained Transformer reaches near Bayes-optimum, suggesting the usage of the information of the training distribution. Our method can be extended to other cases. Specifically, with the Transformer's context window S, we prove a generalization bound of mathcal{O}(min{S, T/(n T)}) on n tasks with sequences of length T, providing sharper analysis compared to previous results of mathcal{O}(1/n). Empirically, we illustrate that while the trained Transformer behaves as the Bayes-optimal solution as a natural consequence of supervised training in distribution, it does not necessarily perform a Bayesian inference when facing task shifts, in contrast to the equivalence between these two proposed in many existing literature. We also demonstrate the trained Transformer's ICL ability over covariates shift and prompt-length shift and interpret them as a generalization over a meta distribution.

Large language models (LLMs) have demonstrated remarkable abilities in representation learning for program synthesis and understanding tasks. The quality of the learned representations appears to be dictated by the neural scaling laws as a function of the number of model parameters and observations, while imposing upper bounds on the model performance by the amount of available data and compute, which is costly. In this study, we attempt to render the training of LLMs for program synthesis more efficient by unifying four key components: (1) model architectures, (2) learning methods, (3) infill sampling, and, (4) data distributions. Specifically, for the model architecture, we attempt to unify encoder and decoder-based models into a single prefix-LM. For learning methods, (i) causal language modeling, (ii) span corruption, (iii) infilling are unified into a simple learning algorithm. For infill sampling, we explore the claim of a "free lunch" hypothesis. For data distributions, the effect of a mixture distribution of programming and natural languages on model performance is explored. We conduct a comprehensive series of empirical experiments on 1B LLMs, for which failures and successes of this exploration are distilled into four lessons. We will provide a final recipe for training and release CodeGen2 models in size 1B, 3.7B, 7B, and, 16B parameters, along with the training framework as open-source: https://github.com/salesforce/CodeGen2.

Language model (LM) decoding is based on the next-token prediction (NTP) probability distribution. For neural LMs (e.g., Transformer-based), NTP distribution is essentially a softmax-regularized dot product between an encoded input context (query) and fixed vocabulary representations (keys). In this paper, we study the effect of the key distribution on the NTP distribution, with a focus on whether the similarity between keys will trigger spurious correlations in NTP. Through knowledge-probing tasks, we show that in the NTP distribution, the few top-ranked tokens are typically accurate. However, the middle-ranked prediction is highly biased towards the tokens that are distributionally (not necessarily semantically) similar to these top ones. For instance, if "P" is predicted as the top-1 token, "A"-"Z" will all be ranked high in NTP, no matter whether they can lead to correct decoding results. This hurts the sampling diversity and makes the sampling of correct, long-tail results hopeless and noisy. We attempt to alleviate this issue via a novel in-context method that iteratively pushes the query representation away from explored regions. Specifically, we include the explored decoding results in the context and prompt the LM to generate something else, which encourages the LM to produce a query representation that has small dot products with explored keys. Experiments on knowledge-probing tasks show that our method leads to efficient navigation away from explored keys to correct new keys. We further extend our method to open-ended and chain-of-thought (for reasoning) generation. Experiment results show that ICN contributes to better generation diversity and improved self-consistency voting performance. Finally, we discuss potential training issues caused by the fixed key space together with the challenges and possible ways to address them in future research.

Polar slice sampling (Roberts & Rosenthal, 2002) is a Markov chain approach for approximate sampling of distributions that is difficult, if not impossible, to implement efficiently, but behaves provably well with respect to the dimension. By updating the directional and radial components of chain iterates separately, we obtain a family of samplers that mimic polar slice sampling, and yet can be implemented efficiently. Numerical experiments in a variety of settings indicate that our proposed algorithm outperforms the two most closely related approaches, elliptical slice sampling (Murray et al., 2010) and hit-and-run uniform slice sampling (MacKay, 2003). We prove the well-definedness and convergence of our methods under suitable assumptions on the target distribution.

We study the problem of estimating the distribution of the return of a policy using an offline dataset that is not generated from the policy, i.e., distributional offline policy evaluation (OPE). We propose an algorithm called Fitted Likelihood Estimation (FLE), which conducts a sequence of Maximum Likelihood Estimation (MLE) and has the flexibility of integrating any state-of-the-art probabilistic generative models as long as it can be trained via MLE. FLE can be used for both finite-horizon and infinite-horizon discounted settings where rewards can be multi-dimensional vectors. Our theoretical results show that for both finite-horizon and infinite-horizon discounted settings, FLE can learn distributions that are close to the ground truth under total variation distance and Wasserstein distance, respectively. Our theoretical results hold under the conditions that the offline data covers the test policy's traces and that the supervised learning MLE procedures succeed. Experimentally, we demonstrate the performance of FLE with two generative models, Gaussian mixture models and diffusion models. For the multi-dimensional reward setting, FLE with diffusion models is capable of estimating the complicated distribution of the return of a test policy.

This paper explores the scenarios under which an attacker can claim that 'Noise and access to the softmax layer of the model is all you need' to steal the weights of a convolutional neural network whose architecture is already known. We were able to achieve 96% test accuracy using the stolen MNIST model and 82% accuracy using the stolen KMNIST model learned using only i.i.d. Bernoulli noise inputs. We posit that this theft-susceptibility of the weights is indicative of the complexity of the dataset and propose a new metric that captures the same. The goal of this dissemination is to not just showcase how far knowing the architecture can take you in terms of model stealing, but to also draw attention to this rather idiosyncratic weight learnability aspects of CNNs spurred by i.i.d. noise input. We also disseminate some initial results obtained with using the Ising probability distribution in lieu of the i.i.d. Bernoulli distribution.

We initiate the study of proper losses for evaluating generative models in the discrete setting. Unlike traditional proper losses, we treat both the generative model and the target distribution as black-boxes, only assuming ability to draw i.i.d. samples. We define a loss to be black-box proper if the generative distribution that minimizes expected loss is equal to the target distribution. Using techniques from statistical estimation theory, we give a general construction and characterization of black-box proper losses: they must take a polynomial form, and the number of draws from the model and target distribution must exceed the degree of the polynomial. The characterization rules out a loss whose expectation is the cross-entropy between the target distribution and the model. By extending the construction to arbitrary sampling schemes such as Poisson sampling, however, we show that one can construct such a loss.

Modern neural networks are known to give overconfident prediction for out-of-distribution inputs when deployed in the open world. It is common practice to leverage a surrogate outlier dataset to regularize the model during training, and recent studies emphasize the role of uncertainty in designing the sampling strategy for outlier dataset. However, the OOD samples selected solely based on predictive uncertainty can be biased towards certain types, which may fail to capture the full outlier distribution. In this work, we empirically show that diversity is critical in sampling outliers for OOD detection performance. Motivated by the observation, we propose a straightforward and novel sampling strategy named DOS (Diverse Outlier Sampling) to select diverse and informative outliers. Specifically, we cluster the normalized features at each iteration, and the most informative outlier from each cluster is selected for model training with absent category loss. With DOS, the sampled outliers efficiently shape a globally compact decision boundary between ID and OOD data. Extensive experiments demonstrate the superiority of DOS, reducing the average FPR95 by up to 25.79% on CIFAR-100 with TI-300K.

This paper introduces a new multi-speaker English dataset for training text-to-speech models. The dataset is based on LibriVox audiobooks and Project Gutenberg texts, both in the public domain. The new dataset contains about 292 hours of speech from 10 speakers with at least 17 hours per speaker sampled at 44.1 kHz. To select speech samples with high quality, we considered audio recordings with a signal bandwidth of at least 13 kHz and a signal-to-noise ratio (SNR) of at least 32 dB. The dataset is publicly released at http://www.openslr.org/109/ .

Knowledge distillation methods have recently shown to be a promising direction to speedup the synthesis of large-scale diffusion models by requiring only a few inference steps. While several powerful distillation methods were recently proposed, the overall quality of student samples is typically lower compared to the teacher ones, which hinders their practical usage. In this work, we investigate the relative quality of samples produced by the teacher text-to-image diffusion model and its distilled student version. As our main empirical finding, we discover that a noticeable portion of student samples exhibit superior fidelity compared to the teacher ones, despite the ``approximate'' nature of the student. Based on this finding, we propose an adaptive collaboration between student and teacher diffusion models for effective text-to-image synthesis. Specifically, the distilled model produces the initial sample, and then an oracle decides whether it needs further improvements with a slow teacher model. Extensive experiments demonstrate that the designed pipeline surpasses state-of-the-art text-to-image alternatives for various inference budgets in terms of human preference. Furthermore, the proposed approach can be naturally used in popular applications such as text-guided image editing and controllable generation.

The recent trend towards Personalized Federated Learning (PFL) has garnered significant attention as it allows for the training of models that are tailored to each client while maintaining data privacy. However, current PFL techniques primarily focus on modeling the conditional distribution heterogeneity (i.e. concept shift), which can result in suboptimal performance when the distribution of input data across clients diverges (i.e. covariate shift). Additionally, these techniques often lack the ability to adapt to unseen data, further limiting their effectiveness in real-world scenarios. To address these limitations, we propose a novel approach, FedGMM, which utilizes Gaussian mixture models (GMM) to effectively fit the input data distributions across diverse clients. The model parameters are estimated by maximum likelihood estimation utilizing a federated Expectation-Maximization algorithm, which is solved in closed form and does not assume gradient similarity. Furthermore, FedGMM possesses an additional advantage of adapting to new clients with minimal overhead, and it also enables uncertainty quantification. Empirical evaluations on synthetic and benchmark datasets demonstrate the superior performance of our method in both PFL classification and novel sample detection.

The rapid progress in Large Language Models (LLMs) has prompted the creation of numerous benchmarks to evaluate their capabilities.This study focuses on the Comprehensive Medical Benchmark in Chinese (CMB), showcasing how dataset diversity and distribution in supervised fine-tuning (SFT) may enhance LLM performance.Remarkably, We successfully trained a smaller base model to achieve scores comparable to larger models, indicating that a diverse and well-distributed dataset can optimize performance regardless of model size.This study suggests that even smaller models may reach high performance levels with carefully curated and varied datasets.By integrating a wide range of instructional content, our approach addresses potential issues such as data quality inconsistencies. Our results imply that a broader spectrum of training data may enhance a model's ability to generalize and perform effectively across different medical scenarios, highlighting the importance of dataset quality and diversity in fine-tuning processes.

An important challenge in machine translation (MT) is to generate high-quality and diverse translations. Prior work has shown that the estimated likelihood from the MT model correlates poorly with translation quality. In contrast, quality evaluation metrics (such as COMET or BLEURT) exhibit high correlations with human judgments, which has motivated their use as rerankers (such as quality-aware and minimum Bayes risk decoding). However, relying on a single translation with high estimated quality increases the chances of "gaming the metric''. In this paper, we address the problem of sampling a set of high-quality and diverse translations. We provide a simple and effective way to avoid over-reliance on noisy quality estimates by using them as the energy function of a Gibbs distribution. Instead of looking for a mode in the distribution, we generate multiple samples from high-density areas through the Metropolis-Hastings algorithm, a simple Markov chain Monte Carlo approach. The results show that our proposed method leads to high-quality and diverse outputs across multiple language pairs (Englishleftrightarrow{German, Russian}) with two strong decoder-only LLMs (Alma-7b, Tower-7b).

Pre-training foundation models on large-scale datasets demonstrates exceptional performance. However, recent research questions this traditional notion, exploring whether an increase in pre-training data always leads to enhanced model performance. To address this issue, data-effective learning approaches have been introduced. However, current methods in this area lack a clear standard for sample selection. Our experiments reveal that by maximizing V-information, sample selection can be framed as an optimization problem, enabling effective improvement in model performance even with fewer samples. Under this guidance, we develop an optimal data-effective learning method (OptiDEL) to maximize V-information. The OptiDEL method generates hard samples to achieve or even exceed the performance of models trained on the full dataset while using substantially less data. We compare the OptiDEL method with state-of-the-art approaches finding that OptiDEL consistently outperforms existing approaches across different datasets, with foundation models trained on only 5% of the pre-training data surpassing the performance of those trained on the full dataset.

Scaling law principles indicate a power-law correlation between loss and variables such as model size, dataset size, and computational resources utilized during training. These principles play a vital role in optimizing various aspects of model pre-training, ultimately contributing to the success of large language models such as GPT-4, Llama and Gemini. However, the original scaling law paper by OpenAI did not disclose the complete details necessary to derive the precise scaling law formulas, and their conclusions are only based on models containing up to 1.5 billion parameters. Though some subsequent works attempt to unveil these details and scale to larger models, they often neglect the training dependency of important factors such as the learning rate, context length and batch size, leading to their failure to establish a reliable formula for predicting the test loss trajectory. In this technical report, we confirm that the scaling law formulations proposed in the original OpenAI paper remain valid when scaling the model size up to 33 billion, but the constant coefficients in these formulas vary significantly with the experiment setup. We meticulously identify influential factors and provide transparent, step-by-step instructions to estimate all constant terms in scaling-law formulas by training on models with only 1M~60M parameters. Using these estimated formulas, we showcase the capability to accurately predict various attributes for models with up to 33B parameters before their training, including (1) the minimum possible test loss; (2) the minimum required training steps and processed tokens to achieve a specific loss; (3) the critical batch size with an optimal time/computation trade-off at any loss value; and (4) the complete test loss trajectory with arbitrary batch size.

Image captioning models are typically trained by treating all samples equally, neglecting to account for mismatched or otherwise difficult data points. In contrast, recent work has shown the effectiveness of training models by scheduling the data using curriculum learning strategies. This paper contributes to this direction by actively curating difficult samples in datasets without increasing the total number of samples. We explore the effect of using three data curation methods within the training process: complete removal of an sample, caption replacement, or image replacement via a text-to-image generation model. Experiments on the Flickr30K and COCO datasets with the BLIP and BEiT-3 models demonstrate that these curation methods do indeed yield improved image captioning models, underscoring their efficacy.

In semi-supervised learning, unlabeled samples can be utilized through augmentation and consistency regularization. However, we observed certain samples, even undergoing strong augmentation, are still correctly classified with high confidence, resulting in a loss close to zero. It indicates that these samples have been already learned well and do not provide any additional optimization benefits to the model. We refer to these samples as ``naive samples". Unfortunately, existing SSL models overlook the characteristics of naive samples, and they just apply the same learning strategy to all samples. To further optimize the SSL model, we emphasize the importance of giving attention to naive samples and augmenting them in a more diverse manner. Sample adaptive augmentation (SAA) is proposed for this stated purpose and consists of two modules: 1) sample selection module; 2) sample augmentation module. Specifically, the sample selection module picks out {naive samples} based on historical training information at each epoch, then the naive samples will be augmented in a more diverse manner in the sample augmentation module. Thanks to the extreme ease of implementation of the above modules, SAA is advantageous for being simple and lightweight. We add SAA on top of FixMatch and FlexMatch respectively, and experiments demonstrate SAA can significantly improve the models. For example, SAA helped improve the accuracy of FixMatch from 92.50% to 94.76% and that of FlexMatch from 95.01% to 95.31% on CIFAR-10 with 40 labels.

Many machine learning algorithms are trained and evaluated by splitting data from a single source into training and test sets. While such focus on in-distribution learning scenarios has led to interesting advancement, it has not been able to tell if models are relying on dataset biases as shortcuts for successful prediction (e.g., using snow cues for recognising snowmobiles), resulting in biased models that fail to generalise when the bias shifts to a different class. The cross-bias generalisation problem has been addressed by de-biasing training data through augmentation or re-sampling, which are often prohibitive due to the data collection cost (e.g., collecting images of a snowmobile on a desert) and the difficulty of quantifying or expressing biases in the first place. In this work, we propose a novel framework to train a de-biased representation by encouraging it to be different from a set of representations that are biased by design. This tactic is feasible in many scenarios where it is much easier to define a set of biased representations than to define and quantify bias. We demonstrate the efficacy of our method across a variety of synthetic and real-world biases; our experiments show that the method discourages models from taking bias shortcuts, resulting in improved generalisation. Source code is available at https://github.com/clovaai/rebias.

We propose a new framework for estimating generative models via an adversarial process, in which we simultaneously train two models: a generative model G that captures the data distribution, and a discriminative model D that estimates the probability that a sample came from the training data rather than G. The training procedure for G is to maximize the probability of D making a mistake. This framework corresponds to a minimax two-player game. In the space of arbitrary functions G and D, a unique solution exists, with G recovering the training data distribution and D equal to 1/2 everywhere. In the case where G and D are defined by multilayer perceptrons, the entire system can be trained with backpropagation. There is no need for any Markov chains or unrolled approximate inference networks during either training or generation of samples. Experiments demonstrate the potential of the framework through qualitative and quantitative evaluation of the generated samples.

Federated Learning (FL) is an emerging distributed learning paradigm under privacy constraint. Data heterogeneity is one of the main challenges in FL, which results in slow convergence and degraded performance. Most existing approaches only tackle the heterogeneity challenge by restricting the local model update in client, ignoring the performance drop caused by direct global model aggregation. Instead, we propose a data-free knowledge distillation method to fine-tune the global model in the server (FedFTG), which relieves the issue of direct model aggregation. Concretely, FedFTG explores the input space of local models through a generator, and uses it to transfer the knowledge from local models to the global model. Besides, we propose a hard sample mining scheme to achieve effective knowledge distillation throughout the training. In addition, we develop customized label sampling and class-level ensemble to derive maximum utilization of knowledge, which implicitly mitigates the distribution discrepancy across clients. Extensive experiments show that our FedFTG significantly outperforms the state-of-the-art (SOTA) FL algorithms and can serve as a strong plugin for enhancing FedAvg, FedProx, FedDyn, and SCAFFOLD.

Understanding the performance of machine learning (ML) models across diverse data distributions is critically important for reliable applications. Despite recent empirical studies positing a near-perfect linear correlation between in-distribution (ID) and out-of-distribution (OOD) accuracies, we empirically demonstrate that this correlation is more nuanced under subpopulation shifts. Through rigorous experimentation and analysis across a variety of datasets, models, and training epochs, we demonstrate that OOD performance often has a nonlinear correlation with ID performance in subpopulation shifts. Our findings, which contrast previous studies that have posited a linear correlation in model performance during distribution shifts, reveal a "moon shape" correlation (parabolic uptrend curve) between the test performance on the majority subpopulation and the minority subpopulation. This non-trivial nonlinear correlation holds across model architectures, hyperparameters, training durations, and the imbalance between subpopulations. Furthermore, we found that the nonlinearity of this "moon shape" is causally influenced by the degree of spurious correlations in the training data. Our controlled experiments show that stronger spurious correlation in the training data creates more nonlinear performance correlation. We provide complementary experimental and theoretical analyses for this phenomenon, and discuss its implications for ML reliability and fairness. Our work highlights the importance of understanding the nonlinear effects of model improvement on performance in different subpopulations, and has the potential to inform the development of more equitable and responsible machine learning models.

A great deal of effort has been devoted to reducing the risk of spurious scientific discoveries, from the use of sophisticated validation techniques, to deep statistical methods for controlling the false discovery rate in multiple hypothesis testing. However, there is a fundamental disconnect between the theoretical results and the practice of data analysis: the theory of statistical inference assumes a fixed collection of hypotheses to be tested, or learning algorithms to be applied, selected non-adaptively before the data are gathered, whereas in practice data is shared and reused with hypotheses and new analyses being generated on the basis of data exploration and the outcomes of previous analyses. In this work we initiate a principled study of how to guarantee the validity of statistical inference in adaptive data analysis. As an instance of this problem, we propose and investigate the question of estimating the expectations of m adaptively chosen functions on an unknown distribution given n random samples. We show that, surprisingly, there is a way to estimate an exponential in n number of expectations accurately even if the functions are chosen adaptively. This gives an exponential improvement over standard empirical estimators that are limited to a linear number of estimates. Our result follows from a general technique that counter-intuitively involves actively perturbing and coordinating the estimates, using techniques developed for privacy preservation. We give additional applications of this technique to our question.

Distributional shift is a central challenge in the deployment of machine learning models as they can be ill-equipped for real-world data. This is particularly evident in text-to-audio generation where the encoded representations are easily undermined by unseen prompts, which leads to the degradation of generated audio -- the limited set of the text-audio pairs remains inadequate for conditional audio generation in the wild as user prompts are under-specified. In particular, we observe a consistent audio quality degradation in generated audio samples with user prompts, as opposed to training set prompts. To this end, we present a retrieval-based in-context prompt editing framework that leverages the training captions as demonstrative exemplars to revisit the user prompts. We show that the framework enhanced the audio quality across the set of collected user prompts, which were edited with reference to the training captions as exemplars.

As language models have scaled both their number of parameters and pretraining dataset sizes, the computational cost for pretraining has become intractable except for the most well-resourced teams. This increasing cost makes it ever more important to be able to reuse a model after it has completed pretraining; allowing for a model's abilities to further improve without needing to train from scratch. In this work, we detail a set of guidelines that cover how to design efficacious data distributions and learning rate schedules for continued pretraining of language models. When applying these findings within a continued pretraining run on top of a well-trained 15B parameter model, we show an improvement of 9\% in average model accuracy compared to the baseline of continued training on the pretraining set. The resulting recipe provides a practical starting point with which to begin developing language models through reuse rather than retraining.

Exploiting the recent advancements in artificial intelligence, showcased by ChatGPT and DALL-E, in real-world applications necessitates vast, domain-specific, and publicly accessible datasets. Unfortunately, the scarcity of such datasets poses a significant challenge for researchers aiming to apply these breakthroughs in engineering design. Synthetic datasets emerge as a viable alternative. However, practitioners are often uncertain about generating high-quality datasets that accurately represent real-world data and are suitable for the intended downstream applications. This study aims to fill this knowledge gap by proposing comprehensive guidelines for generating, annotating, and validating synthetic datasets. The trade-offs and methods associated with each of these aspects are elaborated upon. Further, the practical implications of these guidelines are illustrated through the creation of a turbo-compressors dataset. The study underscores the importance of thoughtful sampling methods to ensure the appropriate size, diversity, utility, and realism of a dataset. It also highlights that design diversity does not equate to performance diversity or realism. By employing test sets that represent uniform, real, or task-specific samples, the influence of sample size and sampling strategy is scrutinized. Overall, this paper offers valuable insights for researchers intending to create and publish synthetic datasets for engineering design, thereby paving the way for more effective applications of AI advancements in the field. The code and data for the dataset and methods are made publicly accessible at https://github.com/cyrilpic/radcomp .

Machine learning systems deployed in the wild are often trained on a source distribution but deployed on a different target distribution. Unlabeled data can be a powerful point of leverage for mitigating these distribution shifts, as it is frequently much more available than labeled data and can often be obtained from distributions beyond the source distribution as well. However, existing distribution shift benchmarks with unlabeled data do not reflect the breadth of scenarios that arise in real-world applications. In this work, we present the WILDS 2.0 update, which extends 8 of the 10 datasets in the WILDS benchmark of distribution shifts to include curated unlabeled data that would be realistically obtainable in deployment. These datasets span a wide range of applications (from histology to wildlife conservation), tasks (classification, regression, and detection), and modalities (photos, satellite images, microscope slides, text, molecular graphs). The update maintains consistency with the original WILDS benchmark by using identical labeled training, validation, and test sets, as well as the evaluation metrics. On these datasets, we systematically benchmark state-of-the-art methods that leverage unlabeled data, including domain-invariant, self-training, and self-supervised methods, and show that their success on WILDS is limited. To facilitate method development and evaluation, we provide an open-source package that automates data loading and contains all of the model architectures and methods used in this paper. Code and leaderboards are available at https://wilds.stanford.edu.

In machine learning, generalization against distribution shifts -- where deployment conditions diverge from the training scenarios -- is crucial, particularly in fields like climate modeling, biomedicine, and autonomous driving. The emergence of foundation models, distinguished by their extensive pretraining and task versatility, has led to an increased interest in their adaptability to distribution shifts. GPT-4V(ision) acts as the most advanced publicly accessible multimodal foundation model, with extensive applications across various domains, including anomaly detection, video understanding, image generation, and medical diagnosis. However, its robustness against data distributions remains largely underexplored. Addressing this gap, this study rigorously evaluates GPT-4V's adaptability and generalization capabilities in dynamic environments, benchmarking against prominent models like CLIP and LLaVA. We delve into GPT-4V's zero-shot generalization across 13 diverse datasets spanning natural, medical, and molecular domains. We further investigate its adaptability to controlled data perturbations and examine the efficacy of in-context learning as a tool to enhance its adaptation. Our findings delineate GPT-4V's capability boundaries in distribution shifts, shedding light on its strengths and limitations across various scenarios. Importantly, this investigation contributes to our understanding of how AI foundation models generalize to distribution shifts, offering pivotal insights into their adaptability and robustness. Code is publicly available at https://github.com/jameszhou-gl/gpt-4v-distribution-shift.

We study the problem of multi-task learning under user-level differential privacy, in which n users contribute data to m tasks, each involving a subset of users. One important aspect of the problem, that can significantly impact quality, is the distribution skew among tasks. Certain tasks may have much fewer data samples than others, making them more susceptible to the noise added for privacy. It is natural to ask whether algorithms can adapt to this skew to improve the overall utility. We give a systematic analysis of the problem, by studying how to optimally allocate a user's privacy budget among tasks. We propose a generic algorithm, based on an adaptive reweighting of the empirical loss, and show that when there is task distribution skew, this gives a quantifiable improvement of excess empirical risk. Experimental studies on recommendation problems that exhibit a long tail of small tasks, demonstrate that our methods significantly improve utility, achieving the state of the art on two standard benchmarks.

In reinforcement learning and imitation learning, an object of central importance is the state distribution induced by the policy. It plays a crucial role in the policy gradient theorem, and references to it--along with the related state-action distribution--can be found all across the literature. Despite its importance, the state distribution is mostly discussed indirectly and theoretically, rather than being modeled explicitly. The reason being an absence of appropriate density estimation tools. In this work, we investigate applications of a normalizing flow-based model for the aforementioned distributions. In particular, we use a pair of flows coupled through the optimality point of the Donsker-Varadhan representation of the Kullback-Leibler (KL) divergence, for distribution matching based imitation learning. Our algorithm, Coupled Flow Imitation Learning (CFIL), achieves state-of-the-art performance on benchmark tasks with a single expert trajectory and extends naturally to a variety of other settings, including the subsampled and state-only regimes.

In this paper, we present our novel systems developed for the SemEval-2024 hallucination detection task. Our investigation spans a range of strategies to compare model predictions with reference standards, encompassing diverse baselines, the refinement of pre-trained encoders through supervised learning, and an ensemble approaches utilizing several high-performing models. Through these explorations, we introduce three distinct methods that exhibit strong performance metrics. To amplify our training data, we generate additional training samples from unlabelled training subset. Furthermore, we provide a detailed comparative analysis of our approaches. Notably, our premier method achieved a commendable 9th place in the competition's model-agnostic track and 17th place in model-aware track, highlighting its effectiveness and potential.

Recent advances in knowledge distillation (KD) have enabled smaller student models to approach the performance of larger teacher models. However, popular methods such as supervised KD and on-policy KD, are adversely impacted by the knowledge gaps between teacher-student in practical scenarios. Supervised KD suffers from a distribution mismatch between training with a static dataset and inference over final student-generated outputs. Conversely, on-policy KD, which uses student-generated samples for training, can suffer from low-quality training examples with which teacher models are not familiar, resulting in inaccurate teacher feedback. To address these limitations, we introduce Speculative Knowledge Distillation (SKD), a novel approach that leverages cooperation between student and teacher models to generate high-quality training data on-the-fly while aligning with the student's inference-time distribution. In SKD, the student proposes tokens, and the teacher replaces poorly ranked ones based on its own distribution, transferring high-quality knowledge adaptively. We evaluate SKD on various text generation tasks, including translation, summarization, math, and instruction following, and show that SKD consistently outperforms existing KD methods across different domains, data sizes, and model initialization strategies.

A recent study by Feldman (2020) proposed a long-tail theory to explain the memorization behavior of deep learning models. However, memorization has not been empirically verified in the context of NLP, a gap addressed by this work. In this paper, we use three different NLP tasks to check if the long-tail theory holds. Our experiments demonstrate that top-ranked memorized training instances are likely atypical, and removing the top-memorized training instances leads to a more serious drop in test accuracy compared with removing training instances randomly. Furthermore, we develop an attribution method to better understand why a training instance is memorized. We empirically show that our memorization attribution method is faithful, and share our interesting finding that the top-memorized parts of a training instance tend to be features negatively correlated with the class label.

Large language models (LLMs) have demonstrated remarkable performance in diverse tasks using zero-shot and few-shot prompting. Even though their capabilities of data synthesis have been studied well in recent years, the generated data suffers from a lack of diversity, less adherence to the prompt, and potential biases that creep into the data from the generator model. In this work, we tackle the challenge of generating datasets with high diversity, upon which a student model is trained for downstream tasks. Taking the route of decoding-time guidance-based approaches, we propose CorrSynth, which generates data that is more diverse and faithful to the input prompt using a correlated sampling strategy. Further, our method overcomes the complexity drawbacks of some other guidance-based techniques like classifier-based guidance. With extensive experiments, we show the effectiveness of our approach and substantiate our claims. In particular, we perform intrinsic evaluation to show the improvements in diversity. Our experiments show that CorrSynth improves both student metrics and intrinsic metrics upon competitive baselines across four datasets, showing the innate advantage of our method.

State-of-the-art supervised NLP models achieve high accuracy but are also susceptible to failures on inputs from low-data regimes, such as domains that are not represented in training data. As an approximation to collecting ground-truth labels for the specific domain, we study the use of large language models (LLMs) for annotating inputs and improving the generalization of NLP models. Specifically, given a budget for LLM annotations, we present an algorithm for sampling the most informative inputs to annotate and retrain the NLP model. We find that popular active learning strategies such as uncertainty-based sampling do not work well. Instead, we propose a sampling strategy based on the difference in prediction scores between the base model and the finetuned NLP model, utilizing the fact that most NLP models are finetuned from a base model. Experiments with classification (semantic similarity) and ranking (semantic search) tasks show that our sampling strategy leads to significant gains in accuracy for both the training and target domains.

As industrial applications are increasingly automated by machine learning models, enforcing personal data ownership and intellectual property rights requires tracing training data back to their rightful owners. Membership inference algorithms approach this problem by using statistical techniques to discern whether a target sample was included in a model's training set. However, existing methods only utilize the unaltered target sample or simple augmentations of the target to compute statistics. Such a sparse sampling of the model's behavior carries little information, leading to poor inference capabilities. In this work, we use adversarial tools to directly optimize for queries that are discriminative and diverse. Our improvements achieve significantly more accurate membership inference than existing methods, especially in offline scenarios and in the low false-positive regime which is critical in legal settings. Code is available at https://github.com/YuxinWenRick/canary-in-a-coalmine.

Recent language models have shown remarkable performance on natural language understanding (NLU) tasks. However, they are often sub-optimal when faced with ambiguous samples that can be interpreted in multiple ways, over-confidently predicting a single label without consideration for its correctness. To address this issue, we propose a novel self-knowledge distillation method that enables models to learn label distributions more accurately by leveraging knowledge distilled from their lower layers. This approach also includes a learning phase that re-calibrates the unnecessarily strengthened confidence for training samples judged as extremely ambiguous based on the distilled distribution knowledge. We validate our method on diverse NLU benchmark datasets and the experimental results demonstrate its effectiveness in producing better label distributions. Particularly, through the process of re-calibrating the confidence for highly ambiguous samples, the issue of over-confidence when predictions for unseen samples do not match with their ground-truth labels has been significantly alleviated. This has been shown to contribute to generating better distributions than the existing state-of-the-art method. Moreover, our method is more efficient in training the models compared to the existing method, as it does not involve additional training processes to refine label distributions.

Given an unconditional diffusion model and a predictor for a target property of interest (e.g., a classifier), the goal of training-free guidance is to generate samples with desirable target properties without additional training. Existing methods, though effective in various individual applications, often lack theoretical grounding and rigorous testing on extensive benchmarks. As a result, they could even fail on simple tasks, and applying them to a new problem becomes unavoidably difficult. This paper introduces a novel algorithmic framework encompassing existing methods as special cases, unifying the study of training-free guidance into the analysis of an algorithm-agnostic design space. Via theoretical and empirical investigation, we propose an efficient and effective hyper-parameter searching strategy that can be readily applied to any downstream task. We systematically benchmark across 7 diffusion models on 16 tasks with 40 targets, and improve performance by 8.5% on average. Our framework and benchmark offer a solid foundation for conditional generation in a training-free manner.

We describe new datasets for studying generalization from easy to hard examples.

This work studies discrete diffusion probabilistic models with applications to natural language generation. We derive an alternative yet equivalent formulation of the sampling from discrete diffusion processes and leverage this insight to develop a family of reparameterized discrete diffusion models. The derived generic framework is highly flexible, offers a fresh perspective of the generation process in discrete diffusion models, and features more effective training and decoding techniques. We conduct extensive experiments to evaluate the text generation capability of our model, demonstrating significant improvements over existing diffusion models.

The impact of randomness on model training is poorly understood. How do differences in data order and initialization actually manifest in the model, such that some training runs outperform others or converge faster? Furthermore, how can we interpret the resulting training dynamics and the phase transitions that characterize different trajectories? To understand the effect of randomness on the dynamics and outcomes of neural network training, we train models multiple times with different random seeds and compute a variety of metrics throughout training, such as the L_2 norm, mean, and variance of the neural network's weights. We then fit a hidden Markov model (HMM) over the resulting sequences of metrics. The HMM represents training as a stochastic process of transitions between latent states, providing an intuitive overview of significant changes during training. Using our method, we produce a low-dimensional, discrete representation of training dynamics on grokking tasks, image classification, and masked language modeling. We use the HMM representation to study phase transitions and identify latent "detour" states that slow down convergence.

Memorization, or the tendency of large language models (LLMs) to output entire sequences from their training data verbatim, is a key concern for safely deploying language models. In particular, it is vital to minimize a model's memorization of sensitive datapoints such as those containing personal identifiable information (PII). The prevalence of such undesirable memorization can pose issues for model trainers, and may even require discarding an otherwise functional model. We therefore seek to predict which sequences will be memorized before a large model's full train-time by extrapolating the memorization behavior of lower-compute trial runs. We measure memorization of the Pythia model suite and plot scaling laws for forecasting memorization, allowing us to provide equi-compute recommendations to maximize the reliability (recall) of such predictions. We additionally provide further novel discoveries on the distribution of memorization scores across models and data. We release all code and data necessary to reproduce the results in this paper at https://github.com/EleutherAI/pythia

Despite the success of deep neural networks, there are still many challenges in deep representation learning due to the data scarcity issues such as data imbalance, unseen distribution, and domain shift. To address the above-mentioned issues, a variety of methods have been devised to explore the sample relationships in a vanilla way (i.e., from the perspectives of either the input or the loss function), failing to explore the internal structure of deep neural networks for learning with sample relationships. Inspired by this, we propose to enable deep neural networks themselves with the ability to learn the sample relationships from each mini-batch. Specifically, we introduce a batch transformer module or BatchFormer, which is then applied into the batch dimension of each mini-batch to implicitly explore sample relationships during training. By doing this, the proposed method enables the collaboration of different samples, e.g., the head-class samples can also contribute to the learning of the tail classes for long-tailed recognition. Furthermore, to mitigate the gap between training and testing, we share the classifier between with or without the BatchFormer during training, which can thus be removed during testing. We perform extensive experiments on over ten datasets and the proposed method achieves significant improvements on different data scarcity applications without any bells and whistles, including the tasks of long-tailed recognition, compositional zero-shot learning, domain generalization, and contrastive learning. Code will be made publicly available at https://github.com/zhihou7/BatchFormer.

Recent hardware developments have dramatically increased the scale of data parallelism available for neural network training. Among the simplest ways to harness next-generation hardware is to increase the batch size in standard mini-batch neural network training algorithms. In this work, we aim to experimentally characterize the effects of increasing the batch size on training time, as measured by the number of steps necessary to reach a goal out-of-sample error. We study how this relationship varies with the training algorithm, model, and data set, and find extremely large variation between workloads. Along the way, we show that disagreements in the literature on how batch size affects model quality can largely be explained by differences in metaparameter tuning and compute budgets at different batch sizes. We find no evidence that larger batch sizes degrade out-of-sample performance. Finally, we discuss the implications of our results on efforts to train neural networks much faster in the future. Our experimental data is publicly available as a database of 71,638,836 loss measurements taken over the course of training for 168,160 individual models across 35 workloads.

State-of-the-art natural language processing (NLP) models often learn to model dataset biases and surface form correlations instead of features that target the intended underlying task. Previous work has demonstrated effective methods to circumvent these issues when knowledge of the bias is available. We consider cases where the bias issues may not be explicitly identified, and show a method for training models that learn to ignore these problematic correlations. Our approach relies on the observation that models with limited capacity primarily learn to exploit biases in the dataset. We can leverage the errors of such limited capacity models to train a more robust model in a product of experts, thus bypassing the need to hand-craft a biased model. We show the effectiveness of this method to retain improvements in out-of-distribution settings even if no particular bias is targeted by the biased model.

Synthetic data generation with Large Language Models is a promising paradigm for augmenting natural data over a nearly infinite range of tasks. Given this variety, direct comparisons among synthetic data generation algorithms are scarce, making it difficult to understand where improvement comes from and what bottlenecks exist. We propose to evaluate algorithms via the makeup of synthetic data generated by each algorithm in terms of data quality, diversity, and complexity. We choose these three characteristics for their significance in open-ended processes and the impact each has on the capabilities of downstream models. We find quality to be essential for in-distribution model generalization, diversity to be essential for out-of-distribution generalization, and complexity to be beneficial for both. Further, we emphasize the existence of Quality-Diversity trade-offs in training data and the downstream effects on model performance. We then examine the effect of various components in the synthetic data pipeline on each data characteristic. This examination allows us to taxonomize and compare synthetic data generation algorithms through the components they utilize and the resulting effects on data QDC composition. This analysis extends into a discussion on the importance of balancing QDC in synthetic data for efficient reinforcement learning and self-improvement algorithms. Analogous to the QD trade-offs in training data, often there exist trade-offs between model output quality and output diversity which impact the composition of synthetic data. We observe that many models are currently evaluated and optimized only for output quality, thereby limiting output diversity and the potential for self-improvement. We argue that balancing these trade-offs is essential to the development of future self-improvement algorithms and highlight a number of works making progress in this direction.

This project focuses on enhancing open-source large language models through instruction-tuning and providing comprehensive evaluations of their performance. We explore how various training data factors, such as quantity, quality, and linguistic distribution, influence the performance of instruction-tuned models trained on publicly accessible high-quality instruction datasets for both English and Chinese languages. Our goal is to supplement evaluation with quantitative analyses, providing valuable insights for the continued advancement of open-source chat models. Our model, data, and code are publicly available for others to use and build upon.

Robustness in Natural Language Processing continues to be a pertinent issue, where state of the art models under-perform under naturally shifted distributions. In the context of Question Answering, work on domain adaptation methods continues to be a growing body of research. However, very little attention has been given to the notion of domain generalization under natural distribution shifts, where the target domain is unknown. With drastic improvements in the quality and access to generative models, we answer the question: How do generated datasets influence the performance of QA models under natural distribution shifts? We perform experiments on 4 different datasets under varying amounts of distribution shift, and analyze how "in-the-wild" generation can help achieve domain generalization. We take a two-step generation approach, generating both contexts and QA pairs to augment existing datasets. Through our experiments, we demonstrate how augmenting reading comprehension datasets with generated data leads to better robustness towards natural distribution shifts.

Scaling laws in language modeling traditionally quantify training loss as a function of dataset size and model parameters, providing compute-optimal estimates but often neglecting the impact of data quality on model generalization. In this paper, we extend the conventional understanding of scaling law by offering a microscopic view of data quality within the original formulation -- effective training tokens -- which we posit to be a critical determinant of performance for parameter-constrained language models. Specifically, we formulate the proposed term of effective training tokens to be a combination of two readily-computed indicators of text: (i) text diversity and (ii) syntheticity as measured by a teacher model. We pretrained over 200 models of 25M to 1.5B parameters on a diverse set of sampled, synthetic data, and estimated the constants that relate text quality, model size, training tokens, and eight reasoning task accuracy scores. We demonstrated the estimated constants yield +0.83 Pearson correlation with true accuracies, and analyzed it in scenarios involving widely-used data techniques such as data sampling and synthesis which aim to improve data quality.

The problem of estimating an unknown discrete distribution from its samples is a fundamental tenet of statistical learning. Over the past decade, it attracted significant research effort and has been solved for a variety of divergence measures. Surprisingly, an equally important problem, estimating an unknown Markov chain from its samples, is still far from understood. We consider two problems related to the min-max risk (expected loss) of estimating an unknown k-state Markov chain from its n sequential samples: predicting the conditional distribution of the next sample with respect to the KL-divergence, and estimating the transition matrix with respect to a natural loss induced by KL or a more general f-divergence measure. For the first measure, we determine the min-max prediction risk to within a linear factor in the alphabet size, showing it is Omega(kloglog n / n) and O(k^2loglog n / n). For the second, if the transition probabilities can be arbitrarily small, then only trivial uniform risk upper bounds can be derived. We therefore consider transition probabilities that are bounded away from zero, and resolve the problem for essentially all sufficiently smooth f-divergences, including KL-, L_2-, Chi-squared, Hellinger, and Alpha-divergences.

Ranking has always been one of the top concerns in information retrieval researches. For decades, the lexical matching signal has dominated the ad-hoc retrieval process, but solely using this signal in retrieval may cause the vocabulary mismatch problem. In recent years, with the development of representation learning techniques, many researchers turn to Dense Retrieval (DR) models for better ranking performance. Although several existing DR models have already obtained promising results, their performance improvement heavily relies on the sampling of training examples. Many effective sampling strategies are not efficient enough for practical usage, and for most of them, there still lacks theoretical analysis in how and why performance improvement happens. To shed light on these research questions, we theoretically investigate different training strategies for DR models and try to explain why hard negative sampling performs better than random sampling. Through the analysis, we also find that there are many potential risks in static hard negative sampling, which is employed by many existing training methods. Therefore, we propose two training strategies named a Stable Training Algorithm for dense Retrieval (STAR) and a query-side training Algorithm for Directly Optimizing Ranking pErformance (ADORE), respectively. STAR improves the stability of DR training process by introducing random negatives. ADORE replaces the widely-adopted static hard negative sampling method with a dynamic one to directly optimize the ranking performance. Experimental results on two publicly available retrieval benchmark datasets show that either strategy gains significant improvements over existing competitive baselines and a combination of them leads to the best performance.

Large language models show impressive results on few-shot NLP tasks. However, these models are memory and computation-intensive. Meta-training allows one to leverage smaller models for few-shot generalization in a domain-general and task-agnostic manner; however, these methods alone results in models that may not have sufficient parameterization or knowledge to adapt quickly to a large variety of tasks. To overcome this issue, we propose meta-training with demonstration retrieval, where we use a dense passage retriever to retrieve semantically similar labeled demonstrations to each example for more varied supervision. By separating external knowledge from model parameters, we can use meta-training to train parameter-efficient models that generalize well on a larger variety of tasks. We construct a meta-training set from UnifiedQA and CrossFit, and propose a demonstration bank based on UnifiedQA tasks. To our knowledge, our work is the first to combine retrieval with meta-training, to use DPR models to retrieve demonstrations, and to leverage demonstrations from many tasks simultaneously, rather than randomly sampling demonstrations from the training set of the target task. Our approach outperforms a variety of targeted parameter-efficient and retrieval-augmented few-shot methods on QA, NLI, and text classification tasks (including SQuAD, QNLI, and TREC). Our approach can be meta-trained and fine-tuned quickly on a single GPU.

Distilling supervision signal from a long sequence to make predictions is a challenging task in machine learning, especially when not all elements in the input sequence contribute equally to the desired output. In this paper, we propose SpanDrop, a simple and effective data augmentation technique that helps models identify the true supervision signal in a long sequence with very few examples. By directly manipulating the input sequence, SpanDrop randomly ablates parts of the sequence at a time and ask the model to perform the same task to emulate counterfactual learning and achieve input attribution. Based on theoretical analysis of its properties, we also propose a variant of SpanDrop based on the beta-Bernoulli distribution, which yields diverse augmented sequences while providing a learning objective that is more consistent with the original dataset. We demonstrate the effectiveness of SpanDrop on a set of carefully designed toy tasks, as well as various natural language processing tasks that require reasoning over long sequences to arrive at the correct answer, and show that it helps models improve performance both when data is scarce and abundant.

Diffusion models achieve high-quality sample generation at the cost of a lengthy multistep inference procedure. To overcome this, diffusion distillation techniques produce student generators capable of matching or surpassing the teacher in a single step. However, the student model's inference speed is limited by the size of the teacher architecture, preventing real-time generation for computationally heavy applications. In this work, we introduce Multi-Student Distillation (MSD), a framework to distill a conditional teacher diffusion model into multiple single-step generators. Each student generator is responsible for a subset of the conditioning data, thereby obtaining higher generation quality for the same capacity. MSD trains multiple distilled students, allowing smaller sizes and, therefore, faster inference. Also, MSD offers a lightweight quality boost over single-student distillation with the same architecture. We demonstrate MSD is effective by training multiple same-sized or smaller students on single-step distillation using distribution matching and adversarial distillation techniques. With smaller students, MSD gets competitive results with faster inference for single-step generation. Using 4 same-sized students, MSD significantly outperforms single-student baseline counterparts and achieves remarkable FID scores for one-step image generation: 1.20 on ImageNet-64x64 and 8.20 on zero-shot COCO2014.

Understanding the performance of machine learning models across diverse data distributions is critically important for reliable applications. Motivated by this, there is a growing focus on curating benchmark datasets that capture distribution shifts. While valuable, the existing benchmarks are limited in that many of them only contain a small number of shifts and they lack systematic annotation about what is different across different shifts. We present MetaShift--a collection of 12,868 sets of natural images across 410 classes--to address this challenge. We leverage the natural heterogeneity of Visual Genome and its annotations to construct MetaShift. The key construction idea is to cluster images using its metadata, which provides context for each image (e.g. "cats with cars" or "cats in bathroom") that represent distinct data distributions. MetaShift has two important benefits: first, it contains orders of magnitude more natural data shifts than previously available. Second, it provides explicit explanations of what is unique about each of its data sets and a distance score that measures the amount of distribution shift between any two of its data sets. We demonstrate the utility of MetaShift in benchmarking several recent proposals for training models to be robust to data shifts. We find that the simple empirical risk minimization performs the best when shifts are moderate and no method had a systematic advantage for large shifts. We also show how MetaShift can help to visualize conflicts between data subsets during model training.

Training data attribution (TDA) techniques find influential training data for the model's prediction on the test data of interest. They approximate the impact of down- or up-weighting a particular training sample. While conceptually useful, they are hardly applicable to deep models in practice, particularly because of their sensitivity to different model initialisation. In this paper, we introduce a Bayesian perspective on the TDA task, where the learned model is treated as a Bayesian posterior and the TDA estimates as random variables. From this novel viewpoint, we observe that the influence of an individual training sample is often overshadowed by the noise stemming from model initialisation and SGD batch composition. Based on this observation, we argue that TDA can only be reliably used for explaining deep model predictions that are consistently influenced by certain training data, independent of other noise factors. Our experiments demonstrate the rarity of such noise-independent training-test data pairs but confirm their existence. We recommend that future researchers and practitioners trust TDA estimates only in such cases. Further, we find a disagreement between ground truth and estimated TDA distributions and encourage future work to study this gap. Code is provided at https://github.com/ElisaNguyen/bayesian-tda.

It is well known that ensemble methods often provide enhanced performance in reinforcement learning. In this paper, we explore this concept further by using group-aided training within the distributional reinforcement learning paradigm. Specifically, we propose an extension to categorical reinforcement learning, where distributional learning targets are implicitly based on the total information gathered by an ensemble. We empirically show that this may lead to much more robust initial learning, a stronger individual performance level, and good efficiency on a per-sample basis.

Sampling proper negatives from a large document pool is vital to effectively train a dense retrieval model. However, existing negative sampling strategies suffer from the uninformative or false negative problem. In this work, we empirically show that according to the measured relevance scores, the negatives ranked around the positives are generally more informative and less likely to be false negatives. Intuitively, these negatives are not too hard (may be false negatives) or too easy (uninformative). They are the ambiguous negatives and need more attention during training. Thus, we propose a simple ambiguous negatives sampling method, SimANS, which incorporates a new sampling probability distribution to sample more ambiguous negatives. Extensive experiments on four public and one industry datasets show the effectiveness of our approach. We made the code and models publicly available in https://github.com/microsoft/SimXNS.

Despite considerable advancements with deep neural language models, the enigma of neural text degeneration persists when these models are tested as text generators. The counter-intuitive empirical observation is that even though the use of likelihood as training objective leads to high quality models for a broad range of language understanding tasks, using likelihood as a decoding objective leads to text that is bland and strangely repetitive. In this paper, we reveal surprising distributional differences between human text and machine text. In addition, we find that decoding strategies alone can dramatically effect the quality of machine text, even when generated from exactly the same neural language model. Our findings motivate Nucleus Sampling, a simple but effective method to draw the best out of neural generation. By sampling text from the dynamic nucleus of the probability distribution, which allows for diversity while effectively truncating the less reliable tail of the distribution, the resulting text better demonstrates the quality of human text, yielding enhanced diversity without sacrificing fluency and coherence.

Curriculum Learning is the presentation of samples to the machine learning model in a meaningful order instead of a random order. The main challenge of Curriculum Learning is determining how to rank these samples. The ranking of the samples is expressed by the scoring function. In this study, scoring functions were compared using data set features, using the model to be trained, and using another model and their ensemble versions. Experiments were performed for 4 images and 4 text datasets. No significant differences were found between scoring functions for text datasets, but significant improvements were obtained in scoring functions created using transfer learning compared to classical model training and other scoring functions for image datasets. It shows that different new scoring functions are waiting to be found for text classification tasks.

Mapping sequences of discrete data to a point in a continuous space makes it difficult to retrieve those sequences via random sampling. Mapping the input to a volume would make it easier to retrieve at test time, and that's the strategy followed by the family of approaches based on Variational Autoencoder. However the fact that they are at the same time optimizing for prediction and for smoothness of representation, forces them to trade-off between the two. We improve on the performance of some of the standard methods in deep learning to generate sentences by uniformly sampling a continuous space. We do it by proposing AriEL, that constructs volumes in a continuous space, without the need of encouraging the creation of volumes through the loss function. We first benchmark on a toy grammar, that allows to automatically evaluate the language learned and generated by the models. Then, we benchmark on a real dataset of human dialogues. Our results indicate that the random access to the stored information is dramatically improved, and our method AriEL is able to generate a wider variety of correct language by randomly sampling the latent space. VAE follows in performance for the toy dataset while, AE and Transformer follow for the real dataset. This partially supports to the hypothesis that encoding information into volumes instead of into points, can lead to improved retrieval of learned information with random sampling. This can lead to better generators and we also discuss potential disadvantages.

Identifying Out-of-distribution (OOD) data is becoming increasingly critical as the real-world applications of deep learning methods expand. Post-hoc methods modify softmax scores fine-tuned on outlier data or leverage intermediate feature layers to identify distinctive patterns between In-Distribution (ID) and OOD samples. Other methods focus on employing diverse OOD samples to learn discrepancies between ID and OOD. These techniques, however, are typically dependent on the quality of the outlier samples assumed. Density-based methods explicitly model class-conditioned distributions but this requires long training time or retraining the classifier. To tackle these issues, we introduce FlowCon, a new density-based OOD detection technique. Our main innovation lies in efficiently combining the properties of normalizing flow with supervised contrastive learning, ensuring robust representation learning with tractable density estimation. Empirical evaluation shows the enhanced performance of our method across common vision datasets such as CIFAR-10 and CIFAR-100 pretrained on ResNet18 and WideResNet classifiers. We also perform quantitative analysis using likelihood plots and qualitative visualization using UMAP embeddings and demonstrate the robustness of the proposed method under various OOD contexts. Code will be open-sourced post decision.

Robustness to natural distribution shifts has seen remarkable progress thanks to recent pre-training strategies combined with better fine-tuning methods. However, such fine-tuning assumes access to large amounts of labelled data, and the extent to which the observations hold when the amount of training data is not as high remains unknown. We address this gap by performing the first in-depth study of robustness to various natural distribution shifts in different low-shot regimes: spanning datasets, architectures, pre-trained initializations, and state-of-the-art robustness interventions. Most importantly, we find that there is no single model of choice that is often more robust than others, and existing interventions can fail to improve robustness on some datasets even if they do so in the full-shot regime. We hope that our work will motivate the community to focus on this problem of practical importance.

Single-source domain generalization attempts to learn a model on a source domain and deploy it to unseen target domains. Limiting access only to source domain data imposes two key challenges - how to train a model that can generalize and how to verify that it does. The standard practice of validation on the training distribution does not accurately reflect the model's generalization ability, while validation on the test distribution is a malpractice to avoid. In this work, we construct an independent validation set by transforming source domain images with a comprehensive list of augmentations, covering a broad spectrum of potential distribution shifts in target domains. We demonstrate a high correlation between validation and test performance for multiple methods and across various datasets. The proposed validation achieves a relative accuracy improvement over the standard validation equal to 15.4% or 1.6% when used for method selection or learning rate tuning, respectively. Furthermore, we introduce a novel family of methods that increase the shape bias through enhanced edge maps. To benefit from the augmentations during training and preserve the independence of the validation set, a k-fold validation process is designed to separate the augmentation types used in training and validation. The method that achieves the best performance on the augmented validation is selected from the proposed family. It achieves state-of-the-art performance on various standard benchmarks. Code at: https://github.com/NikosEfth/crafting-shifts

Scaling laws are useful guides for developing language models, but there are still gaps between current scaling studies and how language models are ultimately trained and evaluated. For instance, scaling is usually studied in the compute-optimal training regime (i.e., "Chinchilla optimal" regime); however, in practice, models are often over-trained to reduce inference costs. Moreover, scaling laws mostly predict loss on next-token prediction, but ultimately models are compared based on downstream task performance. In this paper, we address both shortcomings. To do so, we create a testbed of 104 models with 0.011B to 6.9B parameters trained with various numbers of tokens on three data distributions. First, we investigate scaling in the over-trained regime. We fit scaling laws that extrapolate in both the number of model parameters and the ratio of training tokens to parameters. This enables us to predict the validation loss of a 1.4B parameter, 900B token run (i.e., 32times over-trained) and a 6.9B parameter, 138B token runx2014each from experiments that take 300times less compute. Second, we relate the perplexity of a language model to its downstream task performance via a power law. We use this law to predict top-1 error averaged over downstream tasks for the two aforementioned models using experiments that take 20times less compute. Our experiments are available at https://github.com/mlfoundations/scaling.

A central problem in machine learning involves modeling complex data-sets using highly flexible families of probability distributions in which learning, sampling, inference, and evaluation are still analytically or computationally tractable. Here, we develop an approach that simultaneously achieves both flexibility and tractability. The essential idea, inspired by non-equilibrium statistical physics, is to systematically and slowly destroy structure in a data distribution through an iterative forward diffusion process. We then learn a reverse diffusion process that restores structure in data, yielding a highly flexible and tractable generative model of the data. This approach allows us to rapidly learn, sample from, and evaluate probabilities in deep generative models with thousands of layers or time steps, as well as to compute conditional and posterior probabilities under the learned model. We additionally release an open source reference implementation of the algorithm.

Self-training is a well-known approach for semi-supervised learning. It consists of iteratively assigning pseudo-labels to unlabeled data for which the model is confident and treating them as labeled examples. For neural networks, softmax prediction probabilities are often used as a confidence measure, although they are known to be overconfident, even for wrong predictions. This phenomenon is particularly intensified in the presence of sample selection bias, i.e., when data labeling is subject to some constraint. To address this issue, we propose a novel confidence measure, called T-similarity, built upon the prediction diversity of an ensemble of linear classifiers. We provide the theoretical analysis of our approach by studying stationary points and describing the relationship between the diversity of the individual members and their performance. We empirically demonstrate the benefit of our confidence measure for three different pseudo-labeling policies on classification datasets of various data modalities. The code is available at https://github.com/ambroiseodt/tsim.

We present Fashion-MNIST, a new dataset comprising of 28x28 grayscale images of 70,000 fashion products from 10 categories, with 7,000 images per category. The training set has 60,000 images and the test set has 10,000 images. Fashion-MNIST is intended to serve as a direct drop-in replacement for the original MNIST dataset for benchmarking machine learning algorithms, as it shares the same image size, data format and the structure of training and testing splits. The dataset is freely available at https://github.com/zalandoresearch/fashion-mnist

Data augmentation techniques are widely used for enhancing the performance of machine learning models by tackling class imbalance issues and data sparsity. State-of-the-art generative language models have been shown to provide significant gains across different NLP tasks. However, their applicability to data augmentation for text classification tasks in few-shot settings have not been fully explored, especially for specialised domains. In this paper, we leverage GPT-2 (Radford A et al, 2019) for generating artificial training instances in order to improve classification performance. Our aim is to analyse the impact the selection process of seed training examples have over the quality of GPT-generated samples and consequently the classifier performance. We perform experiments with several seed selection strategies that, among others, exploit class hierarchical structures and domain expert selection. Our results show that fine-tuning GPT-2 in a handful of label instances leads to consistent classification improvements and outperform competitive baselines. Finally, we show that guiding this process through domain expert selection can lead to further improvements, which opens up interesting research avenues for combining generative models and active learning.

The pre-training of large language models usually requires massive amounts of resources, both in terms of computation and data. Frequently used web sources such as Common Crawl might contain enough noise to make this pre-training sub-optimal. In this work, we experiment with different sampling methods from the Spanish version of mC4, and present a novel data-centric technique which we name perplexity sampling that enables the pre-training of language models in roughly half the amount of steps and using one fifth of the data. The resulting models are comparable to the current state-of-the-art, and even achieve better results for certain tasks. Our work is proof of the versatility of Transformers, and paves the way for small teams to train their models on a limited budget. Our models are available at this https://huggingface.co/bertin-project{URL}.

The generalization performance of a machine learning algorithm such as a neural network depends in a non-trivial way on the structure of the data distribution. To analyze the influence of data structure on test loss dynamics, we study an exactly solveable model of stochastic gradient descent (SGD) on mean square loss which predicts test loss when training on features with arbitrary covariance structure. We solve the theory exactly for both Gaussian features and arbitrary features and we show that the simpler Gaussian model accurately predicts test loss of nonlinear random-feature models and deep neural networks trained with SGD on real datasets such as MNIST and CIFAR-10. We show that the optimal batch size at a fixed compute budget is typically small and depends on the feature correlation structure, demonstrating the computational benefits of SGD with small batch sizes. Lastly, we extend our theory to the more usual setting of stochastic gradient descent on a fixed subsampled training set, showing that both training and test error can be accurately predicted in our framework on real data.

When two different parties use the same learning rule on their own data, how can we test whether the distributions of the two outcomes are similar? In this paper, we study the similarity of outcomes of learning rules through the lens of the Total Variation (TV) distance of distributions. We say that a learning rule is TV indistinguishable if the expected TV distance between the posterior distributions of its outputs, executed on two training data sets drawn independently from the same distribution, is small. We first investigate the learnability of hypothesis classes using TV indistinguishable learners. Our main results are information-theoretic equivalences between TV indistinguishability and existing algorithmic stability notions such as replicability and approximate differential privacy. Then, we provide statistical amplification and boosting algorithms for TV indistinguishable learners.

A central notion in practical and theoretical machine learning is that of a weak learner, classifiers that achieve better-than-random performance (on any given distribution over data), even by a small margin. Such weak learners form the practical basis for canonical machine learning methods such as boosting. In this work, we illustrate that prompt-based large language models can operate effectively as said weak learners. Specifically, we illustrate the use of a large language model (LLM) as a weak learner in a boosting algorithm applied to tabular data. We show that by providing (properly sampled according to the distribution of interest) text descriptions of tabular data samples, LLMs can produce a summary of the samples that serves as a template for classification and achieves the aim of acting as a weak learner on this task. We incorporate these models into a boosting approach, which in some settings can leverage the knowledge within the LLM to outperform traditional tree-based boosting. The model outperforms both few-shot learning and occasionally even more involved fine-tuning procedures, particularly for tasks involving small numbers of data points. The results illustrate the potential for prompt-based LLMs to function not just as few-shot learners themselves, but as components of larger machine learning pipelines.

Diffusion transformers (DiT) have already achieved appealing synthesis and scaling properties in content recreation, e.g., image and video generation. However, scaling laws of DiT are less explored, which usually offer precise predictions regarding optimal model size and data requirements given a specific compute budget. Therefore, experiments across a broad range of compute budgets, from 1e17 to 6e18 FLOPs are conducted to confirm the existence of scaling laws in DiT for the first time. Concretely, the loss of pretraining DiT also follows a power-law relationship with the involved compute. Based on the scaling law, we can not only determine the optimal model size and required data but also accurately predict the text-to-image generation loss given a model with 1B parameters and a compute budget of 1e21 FLOPs. Additionally, we also demonstrate that the trend of pre-training loss matches the generation performances (e.g., FID), even across various datasets, which complements the mapping from compute to synthesis quality and thus provides a predictable benchmark that assesses model performance and data quality at a reduced cost.

Web-crawled pretraining datasets underlie the impressive "zero-shot" evaluation performance of multimodal models, such as CLIP for classification/retrieval and Stable-Diffusion for image generation. However, it is unclear how meaningful the notion of "zero-shot" generalization is for such multimodal models, as it is not known to what extent their pretraining datasets encompass the downstream concepts targeted for during "zero-shot" evaluation. In this work, we ask: How is the performance of multimodal models on downstream concepts influenced by the frequency of these concepts in their pretraining datasets? We comprehensively investigate this question across 34 models and five standard pretraining datasets (CC-3M, CC-12M, YFCC-15M, LAION-400M, LAION-Aesthetics), generating over 300GB of data artifacts. We consistently find that, far from exhibiting "zero-shot" generalization, multimodal models require exponentially more data to achieve linear improvements in downstream "zero-shot" performance, following a sample inefficient log-linear scaling trend. This trend persists even when controlling for sample-level similarity between pretraining and downstream datasets, and testing on purely synthetic data distributions. Furthermore, upon benchmarking models on long-tailed data sampled based on our analysis, we demonstrate that multimodal models across the board perform poorly. We contribute this long-tail test set as the "Let it Wag!" benchmark to further research in this direction. Taken together, our study reveals an exponential need for training data which implies that the key to "zero-shot" generalization capabilities under large-scale training paradigms remains to be found.

Score Distillation Sampling (SDS) has emerged as an effective technique for leveraging 2D diffusion priors for tasks such as text-to-3D generation. While powerful, SDS struggles with achieving fine-grained alignment to user intent. To overcome this, we introduce RewardSDS, a novel approach that weights noise samples based on alignment scores from a reward model, producing a weighted SDS loss. This loss prioritizes gradients from noise samples that yield aligned high-reward output. Our approach is broadly applicable and can extend SDS-based methods. In particular, we demonstrate its applicability to Variational Score Distillation (VSD) by introducing RewardVSD. We evaluate RewardSDS and RewardVSD on text-to-image, 2D editing, and text-to-3D generation tasks, showing significant improvements over SDS and VSD on a diverse set of metrics measuring generation quality and alignment to desired reward models, enabling state-of-the-art performance. Project page is available at https://itaychachy. github.io/reward-sds/.

Experience replay is a key component in reinforcement learning for stabilizing learning and improving sample efficiency. Its typical implementation samples transitions with replacement from a replay buffer. In contrast, in supervised learning with a fixed dataset, it is a common practice to shuffle the dataset every epoch and consume data sequentially, which is called random reshuffling (RR). RR enjoys theoretically better convergence properties and has been shown to outperform with-replacement sampling empirically. To leverage the benefits of RR in reinforcement learning, we propose sampling methods that extend RR to experience replay, both in uniform and prioritized settings. We evaluate our sampling methods on Atari benchmarks, demonstrating their effectiveness in deep reinforcement learning.

We provide a distillation scaling law that estimates distilled model performance based on a compute budget and its allocation between the student and teacher. Our findings reduce the risks associated with using distillation at scale; compute allocation for both the teacher and student models can now be done to maximize student performance. We provide compute optimal distillation recipes for when 1) a teacher exists, or 2) a teacher needs training. If many students are to be distilled, or a teacher already exists, distillation outperforms supervised pretraining until a compute level which grows predictably with student size. If one student is to be distilled and a teacher also needs training, supervised learning should be done instead. Additionally, we provide insights across our large scale study of distillation, which increase our understanding of distillation and inform experimental design.

Visual instruction datasets from various distributors are released at different times and often contain a significant number of semantically redundant text-image pairs, depending on their task compositions (i.e., skills) or reference sources. This redundancy greatly limits the efficient deployment of lifelong adaptable multimodal large language models, hindering their ability to refine existing skills and acquire new competencies over time. To address this, we reframe the problem of Lifelong Instruction Tuning (LiIT) via data selection, where the model automatically selects beneficial samples to learn from earlier and new datasets based on the current state of acquired knowledge in the model. Based on empirical analyses that show that selecting the best data subset using a static importance measure is often ineffective for multi-task datasets with evolving distributions, we propose Adapt-infty, a new multi-way and adaptive data selection approach that dynamically balances sample efficiency and effectiveness during LiIT. We construct pseudo-skill clusters by grouping gradient-based sample vectors. Next, we select the best-performing data selector for each skill cluster from a pool of selector experts, including our newly proposed scoring function, Image Grounding score. This data selector samples a subset of the most important samples from each skill cluster for training. To prevent the continuous increase in the size of the dataset pool during LiIT, which would result in excessive computation, we further introduce a cluster-wise permanent data pruning strategy to remove the most semantically redundant samples from each cluster, keeping computational requirements manageable. Training with samples selected by Adapt-infty alleviates catastrophic forgetting, especially for rare tasks, and promotes forward transfer across the continuum using only a fraction of the original datasets.

Large language models with a huge number of parameters, when trained on near internet-sized number of tokens, have been empirically shown to obey neural scaling laws: specifically, their performance behaves predictably as a power law in either parameters or dataset size until bottlenecked by the other resource. To understand this better, we first identify the necessary properties allowing such scaling laws to arise and then propose a statistical model -- a joint generative data model and random feature model -- that captures this neural scaling phenomenology. By solving this model in the dual limit of large training set size and large number of parameters, we gain insight into (i) the statistical structure of datasets and tasks that lead to scaling laws, (ii) the way nonlinear feature maps, such as those provided by neural networks, enable scaling laws when trained on these datasets, (iii) the optimality of the equiparameterization scaling of training sets and parameters, and (iv) whether such scaling laws can break down and how they behave when they do. Key findings are the manner in which the power laws that occur in the statistics of natural datasets are extended by nonlinear random feature maps and then translated into power-law scalings of the test loss and how the finite extent of the data's spectral power law causes the model's performance to plateau.

We propose a Distributional Approach for addressing Controlled Text Generation from pre-trained Language Models (LMs). This approach permits to specify, in a single formal framework, both "pointwise" and "distributional" constraints over the target LM -- to our knowledge, the first model with such generality -- while minimizing KL divergence from the initial LM distribution. The optimal target distribution is then uniquely determined as an explicit EBM (Energy-Based Model) representation. From that optimal representation we then train a target controlled Autoregressive LM through an adaptive distributional variant of Policy Gradient. We conduct a first set of experiments over pointwise constraints showing the advantages of our approach over a set of baselines, in terms of obtaining a controlled LM balancing constraint satisfaction with divergence from the initial LM. We then perform experiments over distributional constraints, a unique feature of our approach, demonstrating its potential as a remedy to the problem of Bias in Language Models. Through an ablation study, we show the effectiveness of our adaptive technique for obtaining faster convergence. (Code available at https://github.com/naver/gdc)

As model finetuning is central to the modern NLP, we set to maximize its efficiency. Motivated by redundancy in training examples and the sheer sizes of pretrained models, we exploit a key opportunity: training only on important data. To this end, we set to filter training examples in a streaming fashion, in tandem with training the target model. Our key techniques are two: (1) automatically determine a training loss threshold for skipping backward training passes; (2) run a meta predictor for further skipping forward training passes. We integrate the above techniques in a holistic, three-stage training process. On a diverse set of benchmarks, our method reduces the required training examples by up to 5.3times and training time by up to 6.8times, while only seeing minor accuracy degradation. Our method is effective even when training one epoch, where each training example is encountered only once. It is simple to implement and is compatible with the existing finetuning techniques. Code is available at: https://github.com/xo28/efficient- NLP-multistage-training

Although large language models (LLMs) are widely deployed, the data used to train them is rarely disclosed. Given the incredible scale of this data, up to trillions of tokens, it is all but certain that it includes potentially problematic text such as copyrighted materials, personally identifiable information, and test data for widely reported reference benchmarks. However, we currently have no way to know which data of these types is included or in what proportions. In this paper, we study the pretraining data detection problem: given a piece of text and black-box access to an LLM without knowing the pretraining data, can we determine if the model was trained on the provided text? To facilitate this study, we introduce a dynamic benchmark WIKIMIA that uses data created before and after model training to support gold truth detection. We also introduce a new detection method Min-K% Prob based on a simple hypothesis: an unseen example is likely to contain a few outlier words with low probabilities under the LLM, while a seen example is less likely to have words with such low probabilities. Min-K% Prob can be applied without any knowledge about the pretraining corpus or any additional training, departing from previous detection methods that require training a reference model on data that is similar to the pretraining data. Moreover, our experiments demonstrate that Min-K% Prob achieves a 7.4% improvement on WIKIMIA over these previous methods. We apply Min-K% Prob to two real-world scenarios, copyrighted book detection, and contaminated downstream example detection, and find it a consistently effective solution.

Summarization models often generate text that is poorly calibrated to quality metrics because they are trained to maximize the likelihood of a single reference (MLE). To address this, recent work has added a calibration step, which exposes a model to its own ranked outputs to improve relevance or, in a separate line of work, contrasts positive and negative sets to improve faithfulness. While effective, much of this work has focused on how to generate and optimize these sets. Less is known about why one setup is more effective than another. In this work, we uncover the underlying characteristics of effective sets. For each training instance, we form a large, diverse pool of candidates and systematically vary the subsets used for calibration fine-tuning. Each selection strategy targets distinct aspects of the sets, such as lexical diversity or the size of the gap between positive and negatives. On three diverse scientific long-form summarization datasets (spanning biomedical, clinical, and chemical domains), we find, among others, that faithfulness calibration is optimal when the negative sets are extractive and more likely to be generated, whereas for relevance calibration, the metric margin between candidates should be maximized and surprise--the disagreement between model and metric defined candidate rankings--minimized. Code to create, select, and optimize calibration sets is available at https://github.com/griff4692/calibrating-summaries

This paper shows that two commonly used evaluation metrics for generative models, the Fr\'echet Inception Distance (FID) and the Inception Score (IS), are biased -- the expected value of the score computed for a finite sample set is not the true value of the score. Worse, the paper shows that the bias term depends on the particular model being evaluated, so model A may get a better score than model B simply because model A's bias term is smaller. This effect cannot be fixed by evaluating at a fixed number of samples. This means all comparisons using FID or IS as currently computed are unreliable. We then show how to extrapolate the score to obtain an effectively bias-free estimate of scores computed with an infinite number of samples, which we term textrm{FID}_infty and textrm{IS}_infty. In turn, this effectively bias-free estimate requires good estimates of scores with a finite number of samples. We show that using Quasi-Monte Carlo integration notably improves estimates of FID and IS for finite sample sets. Our extrapolated scores are simple, drop-in replacements for the finite sample scores. Additionally, we show that using low discrepancy sequence in GAN training offers small improvements in the resulting generator.

Data selection is of great significance in pre-training large language models, given the variation in quality within the large-scale available training corpora. To achieve this, researchers are currently investigating the use of data influence to measure the importance of data instances, i.e., a high influence score indicates that incorporating this instance to the training set is likely to enhance the model performance. Consequently, they select the top-k instances with the highest scores. However, this approach has several limitations. (1) Computing the influence of all available data is time-consuming. (2) The selected data instances are not diverse enough, which may hinder the pre-trained model's ability to generalize effectively to various downstream tasks. In this paper, we introduce Quad, a data selection approach that considers both quality and diversity by using data influence to achieve state-of-the-art pre-training results. In particular, noting that attention layers capture extensive semantic details, we have adapted the accelerated iHVP computation methods for attention layers, enhancing our ability to evaluate the influence of data, i.e., its quality. For the diversity, Quad clusters the dataset into similar data instances within each cluster and diverse instances across different clusters. For each cluster, if we opt to select data from it, we take some samples to evaluate the influence to prevent processing all instances. To determine which clusters to select, we utilize the classic Multi-Armed Bandit method, treating each cluster as an arm. This approach favors clusters with highly influential instances (ensuring high quality) or clusters that have been selected less frequently (ensuring diversity), thereby well balancing between quality and diversity.

We propose a new learning paradigm called Deep Memory. It has the potential to completely revolutionize the Machine Learning field. Surprisingly, this paradigm has not been reinvented yet, unlike Deep Learning. At the core of this approach is the Learning By Heart principle, well studied in primary schools all over the world. Inspired by poem recitation, or by pi decimal memorization, we propose a concrete algorithm that mimics human behavior. We implement this paradigm on the task of generative modeling, and apply to images, natural language and even the pi decimals as long as one can print them as text. The proposed algorithm even generated this paper, in a one-shot learning setting. In carefully designed experiments, we show that the generated samples are indistinguishable from the training examples, as measured by any statistical tests or metrics.

At the core of many important machine learning problems faced by online streaming services is a need to model how users interact with the content they are served. Unfortunately, there are no public datasets currently available that enable researchers to explore this topic. In order to spur that research, we release the Music Streaming Sessions Dataset (MSSD), which consists of 160 million listening sessions and associated user actions. Furthermore, we provide audio features and metadata for the approximately 3.7 million unique tracks referred to in the logs. This is the largest collection of such track metadata currently available to the public. This dataset enables research on important problems including how to model user listening and interaction behaviour in streaming, as well as Music Information Retrieval (MIR), and session-based sequential recommendations. Additionally, a subset of sessions were collected using a uniformly random recommendation setting, enabling their use for counterfactual evaluation of such sequential recommendations. Finally, we provide an analysis of user behavior and suggest further research problems which can be addressed using the dataset.

Recent diagnostic datasets on compositional generalization, such as SCAN (Lake and Baroni, 2018) and COGS (Kim and Linzen, 2020), expose severe problems in models trained from scratch on these datasets. However, in contrast to this poor performance, state-of-the-art models trained on larger and more general datasets show better generalization ability. In this work, to reconcile this inconsistency, we conduct an empirical analysis by training Transformer models on a variety of training sets with different data factors, including dataset scale, pattern complexity, example difficulty, etc. First, we show that increased dataset complexity can lead to better generalization behavior on multiple different generalization challenges. To further understand this improvement, we show two axes of the benefit from more complex datasets: they provide more diverse examples so compositional understanding becomes more effective, and they also prevent ungeneralizable memorization of the examples due to reduced example repetition frequency. Finally, we explore how training examples of different difficulty levels influence generalization differently. On synthetic datasets, simple examples invoke stronger compositionality than hard examples do. On larger-scale real language datasets, while hard examples become more important potentially to ensure decent data coverage, a balanced mixture of simple and hard examples manages to induce the strongest generalizability. The code and data for this work are available at https://github.com/owenzx/data4comp

Much research in machine learning involves finding appropriate inductive biases (e.g. convolutional neural networks, momentum-based optimizers, transformers) to promote generalization on tasks. However, quantification of the amount of inductive bias associated with these architectures and hyperparameters has been limited. We propose a novel method for efficiently computing the inductive bias required for generalization on a task with a fixed training data budget; formally, this corresponds to the amount of information required to specify well-generalizing models within a specific hypothesis space of models. Our approach involves modeling the loss distribution of random hypotheses drawn from a hypothesis space to estimate the required inductive bias for a task relative to these hypotheses. Unlike prior work, our method provides a direct estimate of inductive bias without using bounds and is applicable to diverse hypothesis spaces. Moreover, we derive approximation error bounds for our estimation approach in terms of the number of sampled hypotheses. Consistent with prior results, our empirical results demonstrate that higher dimensional tasks require greater inductive bias. We show that relative to other expressive model classes, neural networks as a model class encode large amounts of inductive bias. Furthermore, our measure quantifies the relative difference in inductive bias between different neural network architectures. Our proposed inductive bias metric provides an information-theoretic interpretation of the benefits of specific model architectures for certain tasks and provides a quantitative guide to developing tasks requiring greater inductive bias, thereby encouraging the development of more powerful inductive biases.

Estimating the difficulty of a dataset typically involves comparing state-of-the-art models to humans; the bigger the performance gap, the harder the dataset is said to be. However, this comparison provides little understanding of how difficult each instance in a given distribution is, or what attributes make the dataset difficult for a given model. To address these questions, we frame dataset difficulty -- w.r.t. a model V -- as the lack of V-usable information (Xu et al., 2019), where a lower value indicates a more difficult dataset for V. We further introduce pointwise \mathcal{V-information} (PVI) for measuring the difficulty of individual instances w.r.t. a given distribution. While standard evaluation metrics typically only compare different models for the same dataset, V-usable information and PVI also permit the converse: for a given model V, we can compare different datasets, as well as different instances/slices of the same dataset. Furthermore, our framework allows for the interpretability of different input attributes via transformations of the input, which we use to discover annotation artefacts in widely-used NLP benchmarks.

ChatGPT is one of the most popular language models which achieve amazing performance on various natural language tasks. Consequently, there is also an urgent need to detect the texts generated ChatGPT from human written. One of the extensively studied methods trains classification models to distinguish both. However, existing studies also demonstrate that the trained models may suffer from distribution shifts (during test), i.e., they are ineffective to predict the generated texts from unseen language tasks or topics. In this work, we aim to have a comprehensive investigation on these methods' generalization behaviors under distribution shift caused by a wide range of factors, including prompts, text lengths, topics, and language tasks. To achieve this goal, we first collect a new dataset with human and ChatGPT texts, and then we conduct extensive studies on the collected dataset. Our studies unveil insightful findings which provide guidance for developing future methodologies or data collection strategies for ChatGPT detection.

We introduce \`A-la-carte Prompt Tuning (APT), a transformer-based scheme to tune prompts on distinct data so that they can be arbitrarily composed at inference time. The individual prompts can be trained in isolation, possibly on different devices, at different times, and on different distributions or domains. Furthermore each prompt only contains information about the subset of data it was exposed to during training. During inference, models can be assembled based on arbitrary selections of data sources, which we call "\`a-la-carte learning". \`A-la-carte learning enables constructing bespoke models specific to each user's individual access rights and preferences. We can add or remove information from the model by simply adding or removing the corresponding prompts without retraining from scratch. We demonstrate that \`a-la-carte built models achieve accuracy within 5% of models trained on the union of the respective sources, with comparable cost in terms of training and inference time. For the continual learning benchmarks Split CIFAR-100 and CORe50, we achieve state-of-the-art performance.

Based on the weight-sharing mechanism, one-shot NAS methods train a supernet and then inherit the pre-trained weights to evaluate sub-models, largely reducing the search cost. However, several works have pointed out that the shared weights suffer from different gradient descent directions during training. And we further find that large gradient variance occurs during supernet training, which degrades the supernet ranking consistency. To mitigate this issue, we propose to explicitly minimize the gradient variance of the supernet training by jointly optimizing the sampling distributions of PAth and DAta (PA&DA). We theoretically derive the relationship between the gradient variance and the sampling distributions, and reveal that the optimal sampling probability is proportional to the normalized gradient norm of path and training data. Hence, we use the normalized gradient norm as the importance indicator for path and training data, and adopt an importance sampling strategy for the supernet training. Our method only requires negligible computation cost for optimizing the sampling distributions of path and data, but achieves lower gradient variance during supernet training and better generalization performance for the supernet, resulting in a more consistent NAS. We conduct comprehensive comparisons with other improved approaches in various search spaces. Results show that our method surpasses others with more reliable ranking performance and higher accuracy of searched architectures, showing the effectiveness of our method. Code is available at https://github.com/ShunLu91/PA-DA.

Understanding geometric properties of natural language processing models' latent spaces allows the manipulation of these properties for improved performance on downstream tasks. One such property is the amount of data spread in a model's latent space, or how fully the available latent space is being used. In this work, we define data spread and demonstrate that the commonly used measures of data spread, Average Cosine Similarity and a partition function min/max ratio I(V), do not provide reliable metrics to compare the use of latent space across models. We propose and examine eight alternative measures of data spread, all but one of which improve over these current metrics when applied to seven synthetic data distributions. Of our proposed measures, we recommend one principal component-based measure and one entropy-based measure that provide reliable, relative measures of spread and can be used to compare models of different sizes and dimensionalities.

Pre-trained language models can be fine-tuned to solve diverse NLP tasks, including in few-shot settings. Thus fine-tuning allows the model to quickly pick up task-specific ``skills,'' but there has been limited study of where these newly-learnt skills reside inside the massive model. This paper introduces the term skill localization for this problem and proposes a solution. Given the downstream task and a model fine-tuned on that task, a simple optimization is used to identify a very small subset of parameters (sim0.01% of model parameters) responsible for (>95%) of the model's performance, in the sense that grafting the fine-tuned values for just this tiny subset onto the pre-trained model gives performance almost as well as the fine-tuned model. While reminiscent of recent works on parameter-efficient fine-tuning, the novel aspects here are that: (i) No further re-training is needed on the subset (unlike, say, with lottery tickets). (ii) Notable improvements are seen over vanilla fine-tuning with respect to calibration of predictions in-distribution (40-90% error reduction) as well as the quality of predictions out-of-distribution (OOD). In models trained on multiple tasks, a stronger notion of skill localization is observed, where the sparse regions corresponding to different tasks are almost disjoint, and their overlap (when it happens) is a proxy for task similarity. Experiments suggest that localization via grafting can assist certain forms of continual learning.

We introduce Compartmentalized Diffusion Models (CDM), a method to train different diffusion models (or prompts) on distinct data sources and arbitrarily compose them at inference time. The individual models can be trained in isolation, at different times, and on different distributions and domains and can be later composed to achieve performance comparable to a paragon model trained on all data simultaneously. Furthermore, each model only contains information about the subset of the data it was exposed to during training, enabling several forms of training data protection. In particular, CDMs are the first method to enable both selective forgetting and continual learning for large-scale diffusion models, as well as allowing serving customized models based on the user's access rights. CDMs also allow determining the importance of a subset of the data in generating particular samples.

Data contamination, i.e., the presence of test data from downstream tasks in the training data of large language models (LLMs), is a potential major issue in measuring LLMs' real effectiveness on other tasks. We propose a straightforward yet effective method for identifying data contamination within LLMs. At its core, our approach starts by identifying potential contamination at the instance level; using this information, our approach then assesses wider contamination at the partition level. To estimate contamination of individual instances, we employ "guided instruction:" a prompt consisting of the dataset name, partition type, and the random-length initial segment of a reference instance, asking the LLM to complete it. An instance is flagged as contaminated if the LLM's output either exactly or nearly matches the latter segment of the reference. To understand if an entire partition is contaminated, we propose two ideas. The first idea marks a dataset partition as contaminated if the average overlap score with the reference instances (as measured by ROUGE-L or BLEURT) is statistically significantly better with the completions from guided instruction compared to a "general instruction" that does not include the dataset and partition name. The second idea marks a dataset partition as contaminated if a classifier based on GPT-4 with few-shot in-context learning prompt marks multiple generated completions as exact/near-exact matches of the corresponding reference instances. Our best method achieves an accuracy between 92% and 100% in detecting if an LLM is contaminated with seven datasets, containing train and test/validation partitions, when contrasted with manual evaluation by human experts. Further, our findings indicate that GPT-4 is contaminated with AG News, WNLI, and XSum datasets.

This paper concerns the problem of aligning samples from large language models to human preferences using best-of-n sampling, where we draw n samples, rank them, and return the best one. We consider two fundamental problems. First: what is the relationship between best-of-n and approaches to alignment that train LLMs to output samples with a high expected reward (e.g., RLHF or DPO)? To answer this, we embed both the best-of-n distribution and the sampling distributions learned by alignment procedures in a common class of tiltings of the base LLM distribution. We then show that, within this class, best-of-n is essentially optimal in terms of the trade-off between win-rate against the base model vs KL distance from the base model. That is, best-of-n is the best choice of alignment distribution if the goal is to maximize win rate. However, best-of-n requires drawing n samples for each inference, a substantial cost. To avoid this, the second problem we consider is how to fine-tune a LLM to mimic the best-of-n sampling distribution. We derive BoNBoN Alignment to achieve this by exploiting the special structure of the best-of-n distribution. Experiments show that BoNBoN alignment yields substantial improvements in producing a model that is preferred to the base policy while minimally affecting off-target aspects.