Daily Papers

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.

Some imitation learning methods combine behavioural cloning with self-supervision to infer actions from state pairs. However, most rely on a large number of expert trajectories to increase generalisation and human intervention to capture key aspects of the problem, such as domain constraints. In this paper, we propose Continuous Imitation Learning from Observation (CILO), a new method augmenting imitation learning with two important features: (i) exploration, allowing for more diverse state transitions, requiring less expert trajectories and resulting in fewer training iterations; and (ii) path signatures, allowing for automatic encoding of constraints, through the creation of non-parametric representations of agents and expert trajectories. We compared CILO with a baseline and two leading imitation learning methods in five environments. It had the best overall performance of all methods in all environments, outperforming the expert in two of them.

Generative language models often struggle with specialized or less-discussed knowledge. A potential solution is found in Retrieval-Augmented Generation (RAG) models which act like retrieving information before generating responses. In this study, we explore how the Atlas approach, a RAG model, decides between what it already knows (parametric) and what it retrieves (non-parametric). We use causal mediation analysis and controlled experiments to examine how internal representations influence information processing. Our findings disentangle the effects of parametric knowledge and the retrieved context. They indicate that in cases where the model can choose between both types of information (parametric and non-parametric), it relies more on the context than the parametric knowledge. Furthermore, the analysis investigates the computations involved in how the model uses the information from the context. We find that multiple mechanisms are active within the model and can be detected with mediation analysis: first, the decision of whether the context is relevant, and second, how the encoder computes output representations to support copying when relevant.

This paper introduces a new data-driven, non-parametric method for image quality and aesthetics assessment, surpassing existing approaches and requiring no prompt engineering or fine-tuning. We eliminate the need for expressive textual embeddings by proposing efficient image anchors in the data. Through extensive evaluations of 7 state-of-the-art self-supervised models, our method demonstrates superior performance and robustness across various datasets and benchmarks. Notably, it achieves high agreement with human assessments even with limited data and shows high robustness to the nature of data and their pre-processing pipeline. Our contributions offer a streamlined solution for assessment of images while providing insights into the perception of visual information.

We introduce Robust Exploration via Clustering-based Online Density Estimation (RECODE), a non-parametric method for novelty-based exploration that estimates visitation counts for clusters of states based on their similarity in a chosen embedding space. By adapting classical clustering to the nonstationary setting of Deep RL, RECODE can efficiently track state visitation counts over thousands of episodes. We further propose a novel generalization of the inverse dynamics loss, which leverages masked transformer architectures for multi-step prediction; which in conjunction with RECODE achieves a new state-of-the-art in a suite of challenging 3D-exploration tasks in DM-Hard-8. RECODE also sets new state-of-the-art in hard exploration Atari games, and is the first agent to reach the end screen in "Pitfall!".

We propose sorting patch representations across views as a novel self-supervised learning signal to improve pretrained representations. To this end, we introduce NeCo: Patch Neighbor Consistency, a novel training loss that enforces patch-level nearest neighbor consistency across a student and teacher model, relative to reference batches. Our method leverages a differentiable sorting method applied on top of pretrained representations, such as DINOv2-registers to bootstrap the learning signal and further improve upon them. This dense post-pretraining leads to superior performance across various models and datasets, despite requiring only 19 hours on a single GPU. We demonstrate that this method generates high-quality dense feature encoders and establish several new state-of-the-art results: +5.5% and + 6% for non-parametric in-context semantic segmentation on ADE20k and Pascal VOC, and +7.2% and +5.7% for linear segmentation evaluations on COCO-Things and -Stuff.

While visual imitation learning offers one of the most effective ways of learning from visual demonstrations, generalizing from them requires either hundreds of diverse demonstrations, task specific priors, or large, hard-to-train parametric models. One reason such complexities arise is because standard visual imitation frameworks try to solve two coupled problems at once: learning a succinct but good representation from the diverse visual data, while simultaneously learning to associate the demonstrated actions with such representations. Such joint learning causes an interdependence between these two problems, which often results in needing large amounts of demonstrations for learning. To address this challenge, we instead propose to decouple representation learning from behavior learning for visual imitation. First, we learn a visual representation encoder from offline data using standard supervised and self-supervised learning methods. Once the representations are trained, we use non-parametric Locally Weighted Regression to predict the actions. We experimentally show that this simple decoupling improves the performance of visual imitation models on both offline demonstration datasets and real-robot door opening compared to prior work in visual imitation. All of our generated data, code, and robot videos are publicly available at https://jyopari.github.io/VINN/.

Large Language Models (LLMs) struggle to handle long input sequences due to high memory and runtime costs. Memory-augmented models have emerged as a promising solution to this problem, but current methods are hindered by limited memory capacity and require costly re-training to integrate with a new LLM. In this work, we introduce an associative memory module which can be coupled to any pre-trained (frozen) attention-based LLM without re-training, enabling it to handle arbitrarily long input sequences. Unlike previous methods, our associative memory module consolidates representations of individual tokens into a non-parametric distribution model, dynamically managed by properly balancing the novelty and recency of the incoming data. By retrieving information from this consolidated associative memory, the base LLM can achieve significant (up to 29.7% on Arxiv) perplexity reduction in long-context modeling compared to other baselines evaluated on standard benchmarks. This architecture, which we call CAMELoT (Consolidated Associative Memory Enhanced Long Transformer), demonstrates superior performance even with a tiny context window of 128 tokens, and also enables improved in-context learning with a much larger set of demonstrations.

Vision transformers have recently achieved competitive results across various vision tasks but still suffer from heavy computation costs when processing a large number of tokens. Many advanced approaches have been developed to reduce the total number of tokens in large-scale vision transformers, especially for image classification tasks. Typically, they select a small group of essential tokens according to their relevance with the class token, then fine-tune the weights of the vision transformer. Such fine-tuning is less practical for dense prediction due to the much heavier computation and GPU memory cost than image classification. In this paper, we focus on a more challenging problem, i.e., accelerating large-scale vision transformers for dense prediction without any additional re-training or fine-tuning. In response to the fact that high-resolution representations are necessary for dense prediction, we present two non-parametric operators, a token clustering layer to decrease the number of tokens and a token reconstruction layer to increase the number of tokens. The following steps are performed to achieve this: (i) we use the token clustering layer to cluster the neighboring tokens together, resulting in low-resolution representations that maintain the spatial structures; (ii) we apply the following transformer layers only to these low-resolution representations or clustered tokens; and (iii) we use the token reconstruction layer to re-create the high-resolution representations from the refined low-resolution representations. The results obtained by our method are promising on five dense prediction tasks, including object detection, semantic segmentation, panoptic segmentation, instance segmentation, and depth estimation.

Mainstream Video-Language Pre-training models actbert,clipbert,violet consist of three parts, a video encoder, a text encoder, and a video-text fusion Transformer. They pursue better performance via utilizing heavier unimodal encoders or multimodal fusion Transformers, resulting in increased parameters with lower efficiency in downstream tasks. In this work, we for the first time introduce an end-to-end video-language model, namely all-in-one Transformer, that embeds raw video and textual signals into joint representations using a unified backbone architecture. We argue that the unique temporal information of video data turns out to be a key barrier hindering the design of a modality-agnostic Transformer. To overcome the challenge, we introduce a novel and effective token rolling operation to encode temporal representations from video clips in a non-parametric manner. The careful design enables the representation learning of both video-text multimodal inputs and unimodal inputs using a unified backbone model. Our pre-trained all-in-one Transformer is transferred to various downstream video-text tasks after fine-tuning, including text-video retrieval, video-question answering, multiple choice and visual commonsense reasoning. State-of-the-art performances with the minimal model FLOPs on nine datasets demonstrate the superiority of our method compared to the competitive counterparts. The code and pretrained model have been released in https://github.com/showlab/all-in-one.

Large language models (LLMs) need knowledge updates to meet the ever-growing world facts and correct the hallucinated responses, facilitating the methods of lifelong model editing. Where the updated knowledge resides in memories is a fundamental question for model editing. In this paper, we find that editing either long-term memory (direct model parameters) or working memory (non-parametric knowledge of neural network activations/representations by retrieval) will result in an impossible triangle -- reliability, generalization, and locality can not be realized together in the lifelong editing settings. For long-term memory, directly editing the parameters will cause conflicts with irrelevant pretrained knowledge or previous edits (poor reliability and locality). For working memory, retrieval-based activations can hardly make the model understand the edits and generalize (poor generalization). Therefore, we propose WISE to bridge the gap between memories. In WISE, we design a dual parametric memory scheme, which consists of the main memory for the pretrained knowledge and a side memory for the edited knowledge. We only edit the knowledge in the side memory and train a router to decide which memory to go through when given a query. For continual editing, we devise a knowledge-sharding mechanism where different sets of edits reside in distinct subspaces of parameters, and are subsequently merged into a shared memory without conflicts. Extensive experiments show that WISE can outperform previous model editing methods and overcome the impossible triangle under lifelong model editing of question answering, hallucination, and out-of-distribution settings across trending LLM architectures, e.g., GPT, LLaMA, and Mistral. Code will be released at https://github.com/zjunlp/EasyEdit.

The approximation of Partial Differential Equations (PDEs) using neural networks has seen significant advancements through Physics-Informed Neural Networks (PINNs). Despite their straightforward optimization framework and flexibility in implementing various PDEs, PINNs often suffer from limited accuracy due to the spectral bias of Multi-Layer Perceptrons (MLPs), which struggle to effectively learn high-frequency and non-linear components. Recently, parametric mesh representations in combination with neural networks have been investigated as a promising approach to eliminate the inductive biases of neural networks. However, they usually require very high-resolution grids and a large number of collocation points to achieve high accuracy while avoiding overfitting issues. In addition, the fixed positions of the mesh parameters restrict their flexibility, making it challenging to accurately approximate complex PDEs. To overcome these limitations, we propose Physics-Informed Gaussians (PIGs), which combine feature embeddings using Gaussian functions with a lightweight neural network. Our approach uses trainable parameters for the mean and variance of each Gaussian, allowing for dynamic adjustment of their positions and shapes during training. This adaptability enables our model to optimally approximate PDE solutions, unlike models with fixed parameter positions. Furthermore, the proposed approach maintains the same optimization framework used in PINNs, allowing us to benefit from their excellent properties. Experimental results show the competitive performance of our model across various PDEs, demonstrating its potential as a robust tool for solving complex PDEs. Our project page is available at https://namgyukang.github.io/Physics-Informed-Gaussians/

Recent vision-only perception models for autonomous driving achieved promising results by encoding multi-view image features into Bird's-Eye-View (BEV) space. A critical step and the main bottleneck of these methods is transforming image features into the BEV coordinate frame. This paper focuses on leveraging geometry information, such as depth, to model such feature transformation. Existing works rely on non-parametric depth distribution modeling leading to significant memory consumption, or ignore the geometry information to address this problem. In contrast, we propose to use parametric depth distribution modeling for feature transformation. We first lift the 2D image features to the 3D space defined for the ego vehicle via a predicted parametric depth distribution for each pixel in each view. Then, we aggregate the 3D feature volume based on the 3D space occupancy derived from depth to the BEV frame. Finally, we use the transformed features for downstream tasks such as object detection and semantic segmentation. Existing semantic segmentation methods do also suffer from an hallucination problem as they do not take visibility information into account. This hallucination can be particularly problematic for subsequent modules such as control and planning. To mitigate the issue, our method provides depth uncertainty and reliable visibility-aware estimations. We further leverage our parametric depth modeling to present a novel visibility-aware evaluation metric that, when taken into account, can mitigate the hallucination problem. Extensive experiments on object detection and semantic segmentation on the nuScenes datasets demonstrate that our method outperforms existing methods on both tasks.

Neural net classifiers trained on data with annotated class labels can also capture apparent visual similarity among categories without being directed to do so. We study whether this observation can be extended beyond the conventional domain of supervised learning: Can we learn a good feature representation that captures apparent similarity among instances, instead of classes, by merely asking the feature to be discriminative of individual instances? We formulate this intuition as a non-parametric classification problem at the instance-level, and use noise-contrastive estimation to tackle the computational challenges imposed by the large number of instance classes. Our experimental results demonstrate that, under unsupervised learning settings, our method surpasses the state-of-the-art on ImageNet classification by a large margin. Our method is also remarkable for consistently improving test performance with more training data and better network architectures. By fine-tuning the learned feature, we further obtain competitive results for semi-supervised learning and object detection tasks. Our non-parametric model is highly compact: With 128 features per image, our method requires only 600MB storage for a million images, enabling fast nearest neighbour retrieval at the run time.

Large, pretrained models are commonly finetuned with imagery that is heavily augmented to mimic different conditions and scales, with the resulting models used for various tasks with imagery from a range of spatial scales. Such models overlook scale-specific information in the data for scale-dependent domains, such as remote sensing. In this paper, we present Scale-MAE, a pretraining method that explicitly learns relationships between data at different, known scales throughout the pretraining process. Scale-MAE pretrains a network by masking an input image at a known input scale, where the area of the Earth covered by the image determines the scale of the ViT positional encoding, not the image resolution. Scale-MAE encodes the masked image with a standard ViT backbone, and then decodes the masked image through a bandpass filter to reconstruct low/high frequency images at lower/higher scales. We find that tasking the network with reconstructing both low/high frequency images leads to robust multiscale representations for remote sensing imagery. Scale-MAE achieves an average of a 2.4 - 5.6% non-parametric kNN classification improvement across eight remote sensing datasets compared to current state-of-the-art and obtains a 0.9 mIoU to 1.7 mIoU improvement on the SpaceNet building segmentation transfer task for a range of evaluation scales.

Recently proposed self-supervised learning approaches have been successful for pre-training speech representation models. The utility of these learned representations has been observed empirically, but not much has been studied about the type or extent of information encoded in the pre-trained representations themselves. Developing such insights can help understand the capabilities and limits of these models and enable the research community to more efficiently develop their usage for downstream applications. In this work, we begin to fill this gap by examining one recent and successful pre-trained model (wav2vec 2.0), via its intermediate representation vectors, using a suite of analysis tools. We use the metrics of canonical correlation, mutual information, and performance on simple downstream tasks with non-parametric probes, in order to (i) query for acoustic and linguistic information content, (ii) characterize the evolution of information across model layers, and (iii) understand how fine-tuning the model for automatic speech recognition (ASR) affects these observations. Our findings motivate modifying the fine-tuning protocol for ASR, which produces improved word error rates in a low-resource setting.

Model uncertainty and limited data are fundamental challenges to robust management of human intervention in a natural system. These challenges are acutely highlighted by concerns that many ecological systems may contain tipping points, such as Allee population sizes. Before a collapse, we do not know where the tipping points lie, if they exist at all. Hence, we know neither a complete model of the system dynamics nor do we have access to data in some large region of state-space where such a tipping point might exist. We illustrate how a Bayesian Non-Parametric (BNP) approach using a Gaussian Process (GP) prior provides a flexible representation of this inherent uncertainty. We embed GPs in a Stochastic Dynamic Programming (SDP) framework in order to make robust management predictions with both model uncertainty and limited data. We use simulations to evaluate this approach as compared with the standard approach of using model selection to choose from a set of candidate models. We find that model selection erroneously favors models without tipping points -- leading to harvest policies that guarantee extinction. The GPDP performs nearly as well as the true model and significantly outperforms standard approaches. We illustrate this using examples of simulated single-species dynamics, where the standard model selection approach should be most effective, and find that it still fails to account for uncertainty appropriately and leads to population crashes, while management based on the GPDP does not, since it does not underestimate the uncertainty outside of the observed data.

Machine learning models will often fail when deployed in an environment with a data distribution that is different than the training distribution. When multiple environments are available during training, many methods exist that learn representations which are invariant across the different distributions, with the hope that these representations will be transportable to unseen domains. In this work, we present a nonparametric strategy for learning invariant representations based on the recently-proposed Nadaraya-Watson (NW) head. The NW head makes a prediction by comparing the learned representations of the query to the elements of a support set that consists of labeled data. We demonstrate that by manipulating the support set, one can encode different causal assumptions. In particular, restricting the support set to a single environment encourages the model to learn invariant features that do not depend on the environment. We present a causally-motivated setup for our modeling and training strategy and validate on three challenging real-world domain generalization tasks in computer vision.

Reconstructing dynamic objects from monocular videos is a severely underconstrained and challenging problem, and recent work has approached it in various directions. However, owing to the ill-posed nature of this problem, there has been no solution that can provide consistent, high-quality novel views from camera positions that are significantly different from the training views. In this work, we introduce Neural Parametric Gaussians (NPGs) to take on this challenge by imposing a two-stage approach: first, we fit a low-rank neural deformation model, which then is used as regularization for non-rigid reconstruction in the second stage. The first stage learns the object's deformations such that it preserves consistency in novel views. The second stage obtains high reconstruction quality by optimizing 3D Gaussians that are driven by the coarse model. To this end, we introduce a local 3D Gaussian representation, where temporally shared Gaussians are anchored in and deformed by local oriented volumes. The resulting combined model can be rendered as radiance fields, resulting in high-quality photo-realistic reconstructions of the non-rigidly deforming objects, maintaining 3D consistency across novel views. We demonstrate that NPGs achieve superior results compared to previous works, especially in challenging scenarios with few multi-view cues.

Role-Playing Agents (RPAs) have shown remarkable performance in various applications, yet they often struggle to recognize and appropriately respond to hard queries that conflict with their role-play knowledge. To investigate RPAs' performance when faced with different types of conflicting requests, we develop an evaluation benchmark that includes contextual knowledge conflicting requests, parametric knowledge conflicting requests, and non-conflicting requests to assess RPAs' ability to identify conflicts and refuse to answer appropriately without over-refusing. Through extensive evaluation, we find that most RPAs behave significant performance gaps toward different conflict requests. To elucidate the reasons, we conduct an in-depth representation-level analysis of RPAs under various conflict scenarios. Our findings reveal the existence of rejection regions and direct response regions within the model's forwarding representation, and thus influence the RPA's final response behavior. Therefore, we introduce a lightweight representation editing approach that conveniently shifts conflicting requests to the rejection region, thereby enhancing the model's refusal accuracy. The experimental results validate the effectiveness of our editing method, improving RPAs' refusal ability of conflicting requests while maintaining their general role-playing capabilities.

We propose to extract meaning representations from autoregressive language models by considering the distribution of all possible trajectories extending an input text. This strategy is prompt-free, does not require fine-tuning, and is applicable to any pre-trained autoregressive model. Moreover, unlike vector-based representations, distribution-based representations can also model asymmetric relations (e.g., direction of logical entailment, hypernym/hyponym relations) by using algebraic operations between likelihood functions. These ideas are grounded in distributional perspectives on semantics and are connected to standard constructions in automata theory, but to our knowledge they have not been applied to modern language models. We empirically show that the representations obtained from large models align well with human annotations, outperform other zero-shot and prompt-free methods on semantic similarity tasks, and can be used to solve more complex entailment and containment tasks that standard embeddings cannot handle. Finally, we extend our method to represent data from different modalities (e.g., image and text) using multimodal autoregressive models. Our code is available at: https://github.com/tianyu139/meaning-as-trajectories

We challenge a common assumption underlying most supervised deep learning: that a model makes a prediction depending only on its parameters and the features of a single input. To this end, we introduce a general-purpose deep learning architecture that takes as input the entire dataset instead of processing one datapoint at a time. Our approach uses self-attention to reason about relationships between datapoints explicitly, which can be seen as realizing non-parametric models using parametric attention mechanisms. However, unlike conventional non-parametric models, we let the model learn end-to-end from the data how to make use of other datapoints for prediction. Empirically, our models solve cross-datapoint lookup and complex reasoning tasks unsolvable by traditional deep learning models. We show highly competitive results on tabular data, early results on CIFAR-10, and give insight into how the model makes use of the interactions between points.

Dense retrieval models use bi-encoder network architectures for learning query and document representations. These representations are often in the form of a vector representation and their similarities are often computed using the dot product function. In this paper, we propose a new representation learning framework for dense retrieval. Instead of learning a vector for each query and document, our framework learns a multivariate distribution and uses negative multivariate KL divergence to compute the similarity between distributions. For simplicity and efficiency reasons, we assume that the distributions are multivariate normals and then train large language models to produce mean and variance vectors for these distributions. We provide a theoretical foundation for the proposed framework and show that it can be seamlessly integrated into the existing approximate nearest neighbor algorithms to perform retrieval efficiently. We conduct an extensive suite of experiments on a wide range of datasets, and demonstrate significant improvements compared to competitive dense retrieval models.

The successes of modern deep machine learning methods are founded on their ability to transform inputs across multiple layers to build good high-level representations. It is therefore critical to understand this process of representation learning. However, standard theoretical approaches (formally NNGPs) involving infinite width limits eliminate representation learning. We therefore develop a new infinite width limit, the Bayesian representation learning limit, that exhibits representation learning mirroring that in finite-width models, yet at the same time, retains some of the simplicity of standard infinite-width limits. In particular, we show that Deep Gaussian processes (DGPs) in the Bayesian representation learning limit have exactly multivariate Gaussian posteriors, and the posterior covariances can be obtained by optimizing an interpretable objective combining a log-likelihood to improve performance with a series of KL-divergences which keep the posteriors close to the prior. We confirm these results experimentally in wide but finite DGPs. Next, we introduce the possibility of using this limit and objective as a flexible, deep generalisation of kernel methods, that we call deep kernel machines (DKMs). Like most naive kernel methods, DKMs scale cubically in the number of datapoints. We therefore use methods from the Gaussian process inducing point literature to develop a sparse DKM that scales linearly in the number of datapoints. Finally, we extend these approaches to NNs (which have non-Gaussian posteriors) in the Appendices.

We investigate the learning of implicit neural representation (INR) using an overparameterized multilayer perceptron (MLP) via a novel nonparametric teaching perspective. The latter offers an efficient example selection framework for teaching nonparametrically defined (viz. non-closed-form) target functions, such as image functions defined by 2D grids of pixels. To address the costly training of INRs, we propose a paradigm called Implicit Neural Teaching (INT) that treats INR learning as a nonparametric teaching problem, where the given signal being fitted serves as the target function. The teacher then selects signal fragments for iterative training of the MLP to achieve fast convergence. By establishing a connection between MLP evolution through parameter-based gradient descent and that of function evolution through functional gradient descent in nonparametric teaching, we show for the first time that teaching an overparameterized MLP is consistent with teaching a nonparametric learner. This new discovery readily permits a convenient drop-in of nonparametric teaching algorithms to broadly enhance INR training efficiency, demonstrating 30%+ training time savings across various input modalities.

Pre-trained models produce strong generic representations that can be adapted via fine-tuning. The learned weight difference relative to the pre-trained model, known as a task vector, characterises the direction and stride of fine-tuning. The significance of task vectors is such that simple arithmetic operations on them can be used to combine diverse representations from different domains. This paper builds on these properties of task vectors and aims to answer (1) whether components of task vectors, particularly parameter blocks, exhibit similar characteristics, and (2) how such blocks can be used to enhance knowledge composition and transfer. To this end, we introduce aTLAS, an algorithm that linearly combines parameter blocks with different learned coefficients, resulting in anisotropic scaling at the task vector level. We show that such linear combinations explicitly exploit the low intrinsic dimensionality of pre-trained models, with only a few coefficients being the learnable parameters. Furthermore, composition of parameter blocks leverages the already learned representations, thereby reducing the dependency on large amounts of data. We demonstrate the effectiveness of our method in task arithmetic, few-shot recognition and test-time adaptation, with supervised or unsupervised objectives. In particular, we show that (1) learned anisotropic scaling allows task vectors to be more disentangled, causing less interference in composition; (2) task vector composition excels with scarce or no labeled data and is less prone to domain shift, thus leading to better generalisability; (3) mixing the most informative parameter blocks across different task vectors prior to training can reduce the memory footprint and improve the flexibility of knowledge transfer. Moreover, we show the potential of aTLAS as a PEFT method, particularly with less data, and demonstrate that its scalibility.

Non-parametric, k-nearest-neighbor algorithms have recently made inroads to assist generative models such as language models and machine translation decoders. We explore whether such non-parametric models can improve machine translation models at the fine-tuning stage by incorporating statistics from the kNN predictions to inform the gradient updates for a baseline translation model. There are multiple methods which could be used to incorporate kNN statistics and we investigate gradient scaling by a gating mechanism, the kNN's ground truth probability, and reinforcement learning. For four standard in-domain machine translation datasets, compared with classic fine-tuning, we report consistent improvements of all of the three methods by as much as 1.45 BLEU and 1.28 BLEU for German-English and English-German translations respectively. Through qualitative analysis, we found particular improvements when it comes to translating grammatical relations or function words, which results in increased fluency of our model.

Generative AI has matured to a point where large-scale models can generate text that seems indistinguishable from human-written text and remarkably photorealistic images. Automatically measuring how close the distribution of generated data is to the target real data distribution is a key step in diagnosing existing models and developing better models. We present MAUVE, a family of comparison measures between pairs of distributions such as those encountered in the generative modeling of text or images. These scores are statistical summaries of divergence frontiers capturing two types of errors in generative modeling. We explore four approaches to statistically estimate these scores: vector quantization, non-parametric estimation, classifier-based estimation, and parametric Gaussian approximations. We provide statistical bounds for the vector quantization approach. Empirically, we find that the proposed scores paired with a range of f-divergences and statistical estimation methods can quantify the gaps between the distributions of human-written text and those of modern neural language models by correlating with human judgments and identifying known properties of the generated texts. We conclude the paper by demonstrating its applications to other AI domains and discussing practical recommendations.

This paper introduces a public dataset of 1.4 million procedurally-generated bicycle designs represented parametrically, as JSON files, and as rasterized images. The dataset is created through the use of a rendering engine which harnesses the BikeCAD software to generate vector graphics from parametric designs. This rendering engine is discussed in the paper and also released publicly alongside the dataset. Though this dataset has numerous applications, a principal motivation is the need to train cross-modal predictive models between parametric and image-based design representations. For example, we demonstrate that a predictive model can be trained to accurately estimate Contrastive Language-Image Pretraining (CLIP) embeddings from a parametric representation directly. This allows similarity relations to be established between parametric bicycle designs and text strings or reference images. Trained predictive models are also made public. The dataset joins the BIKED dataset family which includes thousands of mixed-representation human-designed bicycle models and several datasets quantifying design performance. The code and dataset can be found at: https://github.com/Lyleregenwetter/BIKED_multimodal/tree/main

In this dissertation we report results of our research on dense distributed representations of text data. We propose two novel neural models for learning such representations. The first model learns representations at the document level, while the second model learns word-level representations. For document-level representations we propose Binary Paragraph Vector: a neural network models for learning binary representations of text documents, which can be used for fast document retrieval. We provide a thorough evaluation of these models and demonstrate that they outperform the seminal method in the field in the information retrieval task. We also report strong results in transfer learning settings, where our models are trained on a generic text corpus and then used to infer codes for documents from a domain-specific dataset. In contrast to previously proposed approaches, Binary Paragraph Vector models learn embeddings directly from raw text data. For word-level representations we propose Disambiguated Skip-gram: a neural network model for learning multi-sense word embeddings. Representations learned by this model can be used in downstream tasks, like part-of-speech tagging or identification of semantic relations. In the word sense induction task Disambiguated Skip-gram outperforms state-of-the-art models on three out of four benchmarks datasets. Our model has an elegant probabilistic interpretation. Furthermore, unlike previous models of this kind, it is differentiable with respect to all its parameters and can be trained with backpropagation. In addition to quantitative results, we present qualitative evaluation of Disambiguated Skip-gram, including two-dimensional visualisations of selected word-sense embeddings.

Given time series data, how can we answer questions like "what will happen in the future?" and "how did we get here?" These sorts of probabilistic inference questions are challenging when observations are high-dimensional. In this paper, we show how these questions can have compact, closed form solutions in terms of learned representations. The key idea is to apply a variant of contrastive learning to time series data. Prior work already shows that the representations learned by contrastive learning encode a probability ratio. By extending prior work to show that the marginal distribution over representations is Gaussian, we can then prove that joint distribution of representations is also Gaussian. Taken together, these results show that representations learned via temporal contrastive learning follow a Gauss-Markov chain, a graphical model where inference (e.g., prediction, planning) over representations corresponds to inverting a low-dimensional matrix. In one special case, inferring intermediate representations will be equivalent to interpolating between the learned representations. We validate our theory using numerical simulations on tasks up to 46-dimensions.

Recent research on time-series self-supervised models shows great promise in learning semantic representations. However, it has been limited to small-scale datasets, e.g., thousands of temporal sequences. In this work, we make key technical contributions that are tailored to the numerical properties of time-series data and allow the model to scale to large datasets, e.g., millions of temporal sequences. We adopt the Transformer architecture by first partitioning the input into non-overlapping windows. Each window is then characterized by its normalized shape and two scalar values denoting the mean and standard deviation within each window. To embed scalar values that may possess arbitrary numerical scales to high-dimensional vectors, we propose a numerically multi-scaled embedding module enumerating all possible scales for the scalar values. The model undergoes pretraining using the proposed numerically multi-scaled embedding with a simple contrastive objective on a large-scale dataset containing over a million sequences. We study its transfer performance on a number of univariate and multivariate classification benchmarks. Our method exhibits remarkable improvement against previous representation learning approaches and establishes the new state of the art, even compared with domain-specific non-learning-based methods.

Previous work has shown that the representations output by contextual language models are more anisotropic than static type embeddings, and typically display outlier dimensions. This seems to be true for both monolingual and multilingual models, although much less work has been done on the multilingual context. Why these outliers occur and how they affect the representations is still an active area of research. We investigate outlier dimensions and their relationship to anisotropy in multiple pre-trained multilingual language models. We focus on cross-lingual semantic similarity tasks, as these are natural tasks for evaluating multilingual representations. Specifically, we examine sentence representations. Sentence transformers which are fine-tuned on parallel resources (that are not always available) perform better on this task, and we show that their representations are more isotropic. However, we aim to improve multilingual representations in general. We investigate how much of the performance difference can be made up by only transforming the embedding space without fine-tuning, and visualise the resulting spaces. We test different operations: Removing individual outlier dimensions, cluster-based isotropy enhancement, and ZCA whitening. We publish our code for reproducibility.

We investigate compositional structures in data embeddings from pre-trained vision-language models (VLMs). Traditionally, compositionality has been associated with algebraic operations on embeddings of words from a pre-existing vocabulary. In contrast, we seek to approximate representations from an encoder as combinations of a smaller set of vectors in the embedding space. These vectors can be seen as "ideal words" for generating concepts directly within the embedding space of the model. We first present a framework for understanding compositional structures from a geometric perspective. We then explain what these compositional structures entail probabilistically in the case of VLM embeddings, providing intuitions for why they arise in practice. Finally, we empirically explore these structures in CLIP's embeddings and we evaluate their usefulness for solving different vision-language tasks such as classification, debiasing, and retrieval. Our results show that simple linear algebraic operations on embedding vectors can be used as compositional and interpretable methods for regulating the behavior of VLMs.

Many recent methods for unsupervised or self-supervised representation learning train feature extractors by maximizing an estimate of the mutual information (MI) between different views of the data. This comes with several immediate problems: For example, MI is notoriously hard to estimate, and using it as an objective for representation learning may lead to highly entangled representations due to its invariance under arbitrary invertible transformations. Nevertheless, these methods have been repeatedly shown to excel in practice. In this paper we argue, and provide empirical evidence, that the success of these methods cannot be attributed to the properties of MI alone, and that they strongly depend on the inductive bias in both the choice of feature extractor architectures and the parametrization of the employed MI estimators. Finally, we establish a connection to deep metric learning and argue that this interpretation may be a plausible explanation for the success of the recently introduced methods.

The success of machine learning algorithms generally depends on data representation, and we hypothesize that this is because different representations can entangle and hide more or less the different explanatory factors of variation behind the data. Although specific domain knowledge can be used to help design representations, learning with generic priors can also be used, and the quest for AI is motivating the design of more powerful representation-learning algorithms implementing such priors. This paper reviews recent work in the area of unsupervised feature learning and deep learning, covering advances in probabilistic models, auto-encoders, manifold learning, and deep networks. This motivates longer-term unanswered questions about the appropriate objectives for learning good representations, for computing representations (i.e., inference), and the geometrical connections between representation learning, density estimation and manifold learning.

Hallucination is a common issue in Multimodal Large Language Models (MLLMs), yet the underlying principles remain poorly understood. In this paper, we investigate which components of MLLMs contribute to object hallucinations. To analyze image representations while completely avoiding the influence of all other factors other than the image representation itself, we propose a parametric-free representation alignment metric (Pfram) that can measure the similarities between any two representation systems without requiring additional training parameters. Notably, Pfram can also assess the alignment of a neural representation system with the human representation system, represented by ground-truth annotations of images. By evaluating the alignment with object annotations, we demonstrate that this metric shows strong and consistent correlations with object hallucination across a wide range of state-of-the-art MLLMs, spanning various model architectures and sizes. Furthermore, using this metric, we explore other key issues related to image representations in MLLMs, such as the role of different modules, the impact of textual instructions, and potential improvements including the use of alternative visual encoders. Our code is available at: https://github.com/yellow-binary-tree/Pfram.

In this paper, we present CAD2Program, a new method for reconstructing 3D parametric models from 2D CAD drawings. Our proposed method is inspired by recent successes in vision-language models (VLMs), and departs from traditional methods which rely on task-specific data representations and/or algorithms. Specifically, on the input side, we simply treat the 2D CAD drawing as a raster image, regardless of its original format, and encode the image with a standard ViT model. We show that such an encoding scheme achieves competitive performance against existing methods that operate on vector-graphics inputs, while imposing substantially fewer restrictions on the 2D drawings. On the output side, our method auto-regressively predicts a general-purpose language describing 3D parametric models in text form. Compared to other sequence modeling methods for CAD which use domain-specific sequence representations with fixed-size slots, our text-based representation is more flexible, and can be easily extended to arbitrary geometric entities and semantic or functional properties. Experimental results on a large-scale dataset of cabinet models demonstrate the effectiveness of our method.

This paper proposes a new type of generative model that is able to quickly learn a latent representation without an encoder. This is achieved using empirical Bayes to calculate the expectation of the posterior, which is implemented by initialising a latent vector with zeros, then using the gradient of the log-likelihood of the data with respect to this zero vector as new latent points. The approach has similar characteristics to autoencoders, but with a simpler architecture, and is demonstrated in a variational autoencoder equivalent that permits sampling. This also allows implicit representation networks to learn a space of implicit functions without requiring a hypernetwork, retaining their representation advantages across datasets. The experiments show that the proposed method converges faster, with significantly lower reconstruction error than autoencoders, while requiring half the parameters.

Representation learning has become an invaluable approach for learning from symbolic data such as text and graphs. However, while complex symbolic datasets often exhibit a latent hierarchical structure, state-of-the-art methods typically learn embeddings in Euclidean vector spaces, which do not account for this property. For this purpose, we introduce a new approach for learning hierarchical representations of symbolic data by embedding them into hyperbolic space -- or more precisely into an n-dimensional Poincar\'e ball. Due to the underlying hyperbolic geometry, this allows us to learn parsimonious representations of symbolic data by simultaneously capturing hierarchy and similarity. We introduce an efficient algorithm to learn the embeddings based on Riemannian optimization and show experimentally that Poincar\'e embeddings outperform Euclidean embeddings significantly on data with latent hierarchies, both in terms of representation capacity and in terms of generalization ability.

We build upon time-series classification by leveraging the capabilities of Vision Language Models (VLMs). We find that VLMs produce competitive results after two or less epochs of fine-tuning. We develop a novel approach that incorporates graphical data representations as images in conjunction with numerical data. This approach is rooted in the hypothesis that graphical representations can provide additional contextual information that numerical data alone may not capture. Additionally, providing a graphical representation can circumvent issues such as limited context length faced by LLMs. To further advance this work, we implemented a scalable end-to-end pipeline for training on different scenarios, allowing us to isolate the most effective strategies for transferring learning capabilities from LLMs to Time Series Classification (TSC) tasks. Our approach works with univariate and multivariate time-series data. In addition, we conduct extensive and practical experiments to show how this approach works for time-series classification and generative labels.

Learned representations are a central component in modern ML systems, serving a multitude of downstream tasks. When training such representations, it is often the case that computational and statistical constraints for each downstream task are unknown. In this context rigid, fixed capacity representations can be either over or under-accommodating to the task at hand. This leads us to ask: can we design a flexible representation that can adapt to multiple downstream tasks with varying computational resources? Our main contribution is Matryoshka Representation Learning (MRL) which encodes information at different granularities and allows a single embedding to adapt to the computational constraints of downstream tasks. MRL minimally modifies existing representation learning pipelines and imposes no additional cost during inference and deployment. MRL learns coarse-to-fine representations that are at least as accurate and rich as independently trained low-dimensional representations. The flexibility within the learned Matryoshka Representations offer: (a) up to 14x smaller embedding size for ImageNet-1K classification at the same level of accuracy; (b) up to 14x real-world speed-ups for large-scale retrieval on ImageNet-1K and 4K; and (c) up to 2% accuracy improvements for long-tail few-shot classification, all while being as robust as the original representations. Finally, we show that MRL extends seamlessly to web-scale datasets (ImageNet, JFT) across various modalities -- vision (ViT, ResNet), vision + language (ALIGN) and language (BERT). MRL code and pretrained models are open-sourced at https://github.com/RAIVNLab/MRL.

The recent tremendous success of unsupervised word embeddings in a multitude of applications raises the obvious question if similar methods could be derived to improve embeddings (i.e. semantic representations) of word sequences as well. We present a simple but efficient unsupervised objective to train distributed representations of sentences. Our method outperforms the state-of-the-art unsupervised models on most benchmark tasks, highlighting the robustness of the produced general-purpose sentence embeddings.

Symmetry-based neural networks often constrain the architecture in order to achieve invariance or equivariance to a group of transformations. In this paper, we propose an alternative that avoids this architectural constraint by learning to produce a canonical representation of the data. These canonicalization functions can readily be plugged into non-equivariant backbone architectures. We offer explicit ways to implement them for many groups of interest. We show that this approach enjoys universality while providing interpretable insights. Our main hypothesis is that learning a neural network to perform canonicalization is better than using predefined heuristics. Our results show that learning the canonicalization function indeed leads to better results and that the approach achieves excellent performance in practice.

Quantifying similarity between neural representations -- e.g. hidden layer activation vectors -- is a perennial problem in deep learning and neuroscience research. Existing methods compare deterministic responses (e.g. artificial networks that lack stochastic layers) or averaged responses (e.g., trial-averaged firing rates in biological data). However, these measures of _deterministic_ representational similarity ignore the scale and geometric structure of noise, both of which play important roles in neural computation. To rectify this, we generalize previously proposed shape metrics (Williams et al. 2021) to quantify differences in _stochastic_ representations. These new distances satisfy the triangle inequality, and thus can be used as a rigorous basis for many supervised and unsupervised analyses. Leveraging this novel framework, we find that the stochastic geometries of neurobiological representations of oriented visual gratings and naturalistic scenes respectively resemble untrained and trained deep network representations. Further, we are able to more accurately predict certain network attributes (e.g. training hyperparameters) from its position in stochastic (versus deterministic) shape space.

We introduce a parametric nonlinear transformation that is well-suited for Gaussianizing data from natural images. The data are linearly transformed, and each component is then normalized by a pooled activity measure, computed by exponentiating a weighted sum of rectified and exponentiated components and a constant. We optimize the parameters of the full transformation (linear transform, exponents, weights, constant) over a database of natural images, directly minimizing the negentropy of the responses. The optimized transformation substantially Gaussianizes the data, achieving a significantly smaller mutual information between transformed components than alternative methods including ICA and radial Gaussianization. The transformation is differentiable and can be efficiently inverted, and thus induces a density model on images. We show that samples of this model are visually similar to samples of natural image patches. We demonstrate the use of the model as a prior probability density that can be used to remove additive noise. Finally, we show that the transformation can be cascaded, with each layer optimized using the same Gaussianization objective, thus offering an unsupervised method of optimizing a deep network architecture.

Neural network-based generative language models like ELMo and BERT can work effectively as general purpose sentence encoders in text classification without further fine-tuning. Is it possible to adapt them in a similar way for use as general-purpose decoders? For this to be possible, it would need to be the case that for any target sentence of interest, there is some continuous representation that can be passed to the language model to cause it to reproduce that sentence. We set aside the difficult problem of designing an encoder that can produce such representations and, instead, ask directly whether such representations exist at all. To do this, we introduce a pair of effective, complementary methods for feeding representations into pretrained unconditional language models and a corresponding set of methods to map sentences into and out of this representation space, the reparametrized sentence space. We then investigate the conditions under which a language model can be made to generate a sentence through the identification of a point in such a space and find that it is possible to recover arbitrary sentences nearly perfectly with language models and representations of moderate size without modifying any model parameters.

Recent work has proposed the linear representation hypothesis: that language models perform computation by manipulating one-dimensional representations of concepts ("features") in activation space. In contrast, we explore whether some language model representations may be inherently multi-dimensional. We begin by developing a rigorous definition of irreducible multi-dimensional features based on whether they can be decomposed into either independent or non-co-occurring lower-dimensional features. Motivated by these definitions, we design a scalable method that uses sparse autoencoders to automatically find multi-dimensional features in GPT-2 and Mistral 7B. These auto-discovered features include strikingly interpretable examples, e.g. circular features representing days of the week and months of the year. We identify tasks where these exact circles are used to solve computational problems involving modular arithmetic in days of the week and months of the year. Finally, we provide evidence that these circular features are indeed the fundamental unit of computation in these tasks with intervention experiments on Mistral 7B and Llama 3 8B, and we find further circular representations by breaking down the hidden states for these tasks into interpretable components.

Learning compatible representations enables the interchangeable use of semantic features as models are updated over time. This is particularly relevant in search and retrieval systems where it is crucial to avoid reprocessing of the gallery images with the updated model. While recent research has shown promising empirical evidence, there is still a lack of comprehensive theoretical understanding about learning compatible representations. In this paper, we demonstrate that the stationary representations learned by the d-Simplex fixed classifier optimally approximate compatibility representation according to the two inequality constraints of its formal definition. This not only establishes a solid foundation for future works in this line of research but also presents implications that can be exploited in practical learning scenarios. An exemplary application is the now-standard practice of downloading and fine-tuning new pre-trained models. Specifically, we show the strengths and critical issues of stationary representations in the case in which a model undergoing sequential fine-tuning is asynchronously replaced by downloading a better-performing model pre-trained elsewhere. Such a representation enables seamless delivery of retrieval service (i.e., no reprocessing of gallery images) and offers improved performance without operational disruptions during model replacement. Code available at: https://github.com/miccunifi/iamcl2r.

Pre-trained representations are becoming crucial for many NLP and perception tasks. While representation learning in NLP has transitioned to training on raw text without human annotations, visual and vision-language representations still rely heavily on curated training datasets that are expensive or require expert knowledge. For vision applications, representations are mostly learned using datasets with explicit class labels such as ImageNet or OpenImages. For vision-language, popular datasets like Conceptual Captions, MSCOCO, or CLIP all involve a non-trivial data collection (and cleaning) process. This costly curation process limits the size of datasets and hence hinders the scaling of trained models. In this paper, we leverage a noisy dataset of over one billion image alt-text pairs, obtained without expensive filtering or post-processing steps in the Conceptual Captions dataset. A simple dual-encoder architecture learns to align visual and language representations of the image and text pairs using a contrastive loss. We show that the scale of our corpus can make up for its noise and leads to state-of-the-art representations even with such a simple learning scheme. Our visual representation achieves strong performance when transferred to classification tasks such as ImageNet and VTAB. The aligned visual and language representations enables zero-shot image classification and also set new state-of-the-art results on Flickr30K and MSCOCO image-text retrieval benchmarks, even when compared with more sophisticated cross-attention models. The representations also enable cross-modality search with complex text and text + image queries.

Despite the extensive success of pretrained language models as encoders for building NLP systems, they haven't seen prominence as decoders for sequence generation tasks. We explore the question of whether these models can be adapted to be used as universal decoders. To be considered "universal," a decoder must have an implicit representation for any target sentence s, such that it can recover that sentence exactly when conditioned on its representation. For large transformer-based language models trained on vast amounts of English text, we investigate whether such representations can be easily discovered using standard optimization methods. We present and compare three representation injection techniques for transformer-based models and three accompanying methods which map sentences to and from this representation space. Experiments show that not only do representations exist for sentences from a variety of genres. More importantly, without needing complex optimization algorithms, our methods recover these sentences almost perfectly without fine-tuning the underlying language model at all.

The recently introduced continuous Skip-gram model is an efficient method for learning high-quality distributed vector representations that capture a large number of precise syntactic and semantic word relationships. In this paper we present several extensions that improve both the quality of the vectors and the training speed. By subsampling of the frequent words we obtain significant speedup and also learn more regular word representations. We also describe a simple alternative to the hierarchical softmax called negative sampling. An inherent limitation of word representations is their indifference to word order and their inability to represent idiomatic phrases. For example, the meanings of "Canada" and "Air" cannot be easily combined to obtain "Air Canada". Motivated by this example, we present a simple method for finding phrases in text, and show that learning good vector representations for millions of phrases is possible.

We propose two novel model architectures for computing continuous vector representations of words from very large data sets. The quality of these representations is measured in a word similarity task, and the results are compared to the previously best performing techniques based on different types of neural networks. We observe large improvements in accuracy at much lower computational cost, i.e. it takes less than a day to learn high quality word vectors from a 1.6 billion words data set. Furthermore, we show that these vectors provide state-of-the-art performance on our test set for measuring syntactic and semantic word similarities.

Unsupervised pretraining, which learns a useful representation using a large amount of unlabeled data to facilitate the learning of downstream tasks, is a critical component of modern large-scale machine learning systems. Despite its tremendous empirical success, the rigorous theoretical understanding of why unsupervised pretraining generally helps remains rather limited -- most existing results are restricted to particular methods or approaches for unsupervised pretraining with specialized structural assumptions. This paper studies a generic framework, where the unsupervised representation learning task is specified by an abstract class of latent variable models Phi and the downstream task is specified by a class of prediction functions Psi. We consider a natural approach of using Maximum Likelihood Estimation (MLE) for unsupervised pretraining and Empirical Risk Minimization (ERM) for learning downstream tasks. We prove that, under a mild ''informative'' condition, our algorithm achieves an excess risk of mathcal{O}(mathcal{C_Phi/m} + mathcal{C_Psi/n}) for downstream tasks, where C_Phi, C_Psi are complexity measures of function classes Phi, Psi, and m, n are the number of unlabeled and labeled data respectively. Comparing to the baseline of mathcal{O}(mathcal{C_{Phi circ Psi}/n}) achieved by performing supervised learning using only the labeled data, our result rigorously shows the benefit of unsupervised pretraining when m gg n and C_{Phicirc Psi} > C_Psi. This paper further shows that our generic framework covers a wide range of approaches for unsupervised pretraining, including factor models, Gaussian mixture models, and contrastive learning.

Novel architectures have recently improved generative image synthesis leading to excellent visual quality in various tasks. Much of this success is due to the scalability of these architectures and hence caused by a dramatic increase in model complexity and in the computational resources invested in training these models. Our work questions the underlying paradigm of compressing large training data into ever growing parametric representations. We rather present an orthogonal, semi-parametric approach. We complement comparably small diffusion or autoregressive models with a separate image database and a retrieval strategy. During training we retrieve a set of nearest neighbors from this external database for each training instance and condition the generative model on these informative samples. While the retrieval approach is providing the (local) content, the model is focusing on learning the composition of scenes based on this content. As demonstrated by our experiments, simply swapping the database for one with different contents transfers a trained model post-hoc to a novel domain. The evaluation shows competitive performance on tasks which the generative model has not been trained on, such as class-conditional synthesis, zero-shot stylization or text-to-image synthesis without requiring paired text-image data. With negligible memory and computational overhead for the external database and retrieval we can significantly reduce the parameter count of the generative model and still outperform the state-of-the-art.

Semantic word embeddings represent the meaning of a word via a vector, and are created by diverse methods. Many use nonlinear operations on co-occurrence statistics, and have hand-tuned hyperparameters and reweighting methods. This paper proposes a new generative model, a dynamic version of the log-linear topic model of~mnih2007three. The methodological novelty is to use the prior to compute closed form expressions for word statistics. This provides a theoretical justification for nonlinear models like PMI, word2vec, and GloVe, as well as some hyperparameter choices. It also helps explain why low-dimensional semantic embeddings contain linear algebraic structure that allows solution of word analogies, as shown by~mikolov2013efficient and many subsequent papers. Experimental support is provided for the generative model assumptions, the most important of which is that latent word vectors are fairly uniformly dispersed in space.

Both convolutional and recurrent operations are building blocks that process one local neighborhood at a time. In this paper, we present non-local operations as a generic family of building blocks for capturing long-range dependencies. Inspired by the classical non-local means method in computer vision, our non-local operation computes the response at a position as a weighted sum of the features at all positions. This building block can be plugged into many computer vision architectures. On the task of video classification, even without any bells and whistles, our non-local models can compete or outperform current competition winners on both Kinetics and Charades datasets. In static image recognition, our non-local models improve object detection/segmentation and pose estimation on the COCO suite of tasks. Code is available at https://github.com/facebookresearch/video-nonlocal-net .

Prior studies diagnose the anisotropy problem in sentence representations from pre-trained language models, e.g., BERT, without fine-tuning. Our analysis reveals that the sentence embeddings from BERT suffer from a bias towards uninformative words, limiting the performance in semantic textual similarity (STS) tasks. To address this bias, we propose a simple and efficient unsupervised approach, Diagonal Attention Pooling (Ditto), which weights words with model-based importance estimations and computes the weighted average of word representations from pre-trained models as sentence embeddings. Ditto can be easily applied to any pre-trained language model as a postprocessing operation. Compared to prior sentence embedding approaches, Ditto does not add parameters nor requires any learning. Empirical evaluations demonstrate that our proposed Ditto can alleviate the anisotropy problem and improve various pre-trained models on STS tasks.

The semantic matching capabilities of neural information retrieval can ameliorate synonymy and polysemy problems of symbolic approaches. However, neural models' dense representations are more suitable for re-ranking, due to their inefficiency. Sparse representations, either in symbolic or latent form, are more efficient with an inverted index. Taking the merits of the sparse and dense representations, we propose an ultra-high dimensional (UHD) representation scheme equipped with directly controllable sparsity. UHD's large capacity and minimal noise and interference among the dimensions allow for binarized representations, which are highly efficient for storage and search. Also proposed is a bucketing method, where the embeddings from multiple layers of BERT are selected/merged to represent diverse linguistic aspects. We test our models with MS MARCO and TREC CAR, showing that our models outperforms other sparse models

Human observers can learn to recognize new categories of images from a handful of examples, yet doing so with artificial ones remains an open challenge. We hypothesize that data-efficient recognition is enabled by representations which make the variability in natural signals more predictable. We therefore revisit and improve Contrastive Predictive Coding, an unsupervised objective for learning such representations. This new implementation produces features which support state-of-the-art linear classification accuracy on the ImageNet dataset. When used as input for non-linear classification with deep neural networks, this representation allows us to use 2-5x less labels than classifiers trained directly on image pixels. Finally, this unsupervised representation substantially improves transfer learning to object detection on the PASCAL VOC dataset, surpassing fully supervised pre-trained ImageNet classifiers.

Transfer learning has recently shown significant performance across various tasks involving deep neural networks. In these transfer learning scenarios, the prior distribution for downstream data becomes crucial in Bayesian model averaging (BMA). While previous works proposed the prior over the neural network parameters centered around the pre-trained solution, such strategies have limitations when dealing with distribution shifts between upstream and downstream data. This paper introduces nonparametric transfer learning (NPTL), a flexible posterior sampling method to address the distribution shift issue within the context of nonparametric learning. The nonparametric learning (NPL) method is a recent approach that employs a nonparametric prior for posterior sampling, efficiently accounting for model misspecification scenarios, which is suitable for transfer learning scenarios that may involve the distribution shift between upstream and downstream tasks. Through extensive empirical validations, we demonstrate that our approach surpasses other baselines in BMA performance.

Neural networks embed the geometric structure of a data manifold lying in a high-dimensional space into latent representations. Ideally, the distribution of the data points in the latent space should depend only on the task, the data, the loss, and other architecture-specific constraints. However, factors such as the random weights initialization, training hyperparameters, or other sources of randomness in the training phase may induce incoherent latent spaces that hinder any form of reuse. Nevertheless, we empirically observe that, under the same data and modeling choices, the angles between the encodings within distinct latent spaces do not change. In this work, we propose the latent similarity between each sample and a fixed set of anchors as an alternative data representation, demonstrating that it can enforce the desired invariances without any additional training. We show how neural architectures can leverage these relative representations to guarantee, in practice, invariance to latent isometries and rescalings, effectively enabling latent space communication: from zero-shot model stitching to latent space comparison between diverse settings. We extensively validate the generalization capability of our approach on different datasets, spanning various modalities (images, text, graphs), tasks (e.g., classification, reconstruction) and architectures (e.g., CNNs, GCNs, transformers).

Compatible features enable the direct comparison of old and new learned features allowing to use them interchangeably over time. In visual search systems, this eliminates the need to extract new features from the gallery-set when the representation model is upgraded with novel data. This has a big value in real applications as re-indexing the gallery-set can be computationally expensive when the gallery-set is large, or even infeasible due to privacy or other concerns of the application. In this paper, we propose CoReS, a new training procedure to learn representations that are compatible with those previously learned, grounding on the stationarity of the features as provided by fixed classifiers based on polytopes. With this solution, classes are maximally separated in the representation space and maintain their spatial configuration stationary as new classes are added, so that there is no need to learn any mappings between representations nor to impose pairwise training with the previously learned model. We demonstrate that our training procedure largely outperforms the current state of the art and is particularly effective in the case of multiple upgrades of the training-set, which is the typical case in real applications.

This paper investigates whether large language models (LLMs) utilize numerical attributes encoded in a low-dimensional subspace of the embedding space when answering logical comparison questions (e.g., Was Cristiano born before Messi?). We first identified these subspaces using partial least squares regression, which effectively encodes the numerical attributes associated with the entities in comparison prompts. Further, we demonstrate causality by intervening in these subspaces to manipulate hidden states, thereby altering the LLM's comparison outcomes. Experimental results show that our findings hold for different numerical attributes, indicating that LLMs utilize the linearly encoded information for numerical reasoning.

Modern retrieval system often requires recomputing the representation of every piece of data in the gallery when updating to a better representation model. This process is known as backfilling and can be especially costly in the real world where the gallery often contains billions of samples. Recently, researchers have proposed the idea of Backward Compatible Training (BCT) where the new representation model can be trained with an auxiliary loss to make it backward compatible with the old representation. In this way, the new representation can be directly compared with the old representation, in principle avoiding the need for any backfilling. However, followup work shows that there is an inherent tradeoff where a backward compatible representation model cannot simultaneously maintain the performance of the new model itself. This paper reports our ``not-so-surprising'' finding that adding extra dimensions to the representation can help here. However, we also found that naively increasing the dimension of the representation did not work. To deal with this, we propose Backward-compatible Training with a novel Basis Transformation (BT^2). A basis transformation (BT) is basically a learnable set of parameters that applies an orthonormal transformation. Such a transformation possesses an important property whereby the original information contained in its input is retained in its output. We show in this paper how a BT can be utilized to add only the necessary amount of additional dimensions. We empirically verify the advantage of BT^2 over other state-of-the-art methods in a wide range of settings. We then further extend BT^2 to other challenging yet more practical settings, including significant change in model architecture (CNN to Transformers), modality change, and even a series of updates in the model architecture mimicking the evolution of deep learning models.

Representation learning has been a critical topic in machine learning. In Click-through Rate Prediction, most features are represented as embedding vectors and learned simultaneously with other parameters in the model. With the development of CTR models, feature representation learning has become a trending topic and has been extensively studied by both industrial and academic researchers in recent years. This survey aims at summarizing the feature representation learning in a broader picture and pave the way for future research. To achieve such a goal, we first present a taxonomy of current research methods on feature representation learning following two main issues: (i) which feature to represent and (ii) how to represent these features. Then we give a detailed description of each method regarding these two issues. Finally, the review concludes with a discussion on the future directions of this field.

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.

Why do brains have inhibitory connections? Why do deep networks have negative weights? We propose an answer from the perspective of representation capacity. We believe representing functions is the primary role of both (i) the brain in natural intelligence, and (ii) deep networks in artificial intelligence. Our answer to why there are inhibitory/negative weights is: to learn more functions. We prove that, in the absence of negative weights, neural networks with non-decreasing activation functions are not universal approximators. While this may be an intuitive result to some, to the best of our knowledge, there is no formal theory, in either machine learning or neuroscience, that demonstrates why negative weights are crucial in the context of representation capacity. Further, we provide insights on the geometric properties of the representation space that non-negative deep networks cannot represent. We expect these insights will yield a deeper understanding of more sophisticated inductive priors imposed on the distribution of weights that lead to more efficient biological and machine learning.

Recent empirical works have successfully used unlabeled data to learn feature representations that are broadly useful in downstream classification tasks. Several of these methods are reminiscent of the well-known word2vec embedding algorithm: leveraging availability of pairs of semantically "similar" data points and "negative samples," the learner forces the inner product of representations of similar pairs with each other to be higher on average than with negative samples. The current paper uses the term contrastive learning for such algorithms and presents a theoretical framework for analyzing them by introducing latent classes and hypothesizing that semantically similar points are sampled from the same latent class. This framework allows us to show provable guarantees on the performance of the learned representations on the average classification task that is comprised of a subset of the same set of latent classes. Our generalization bound also shows that learned representations can reduce (labeled) sample complexity on downstream tasks. We conduct controlled experiments in both the text and image domains to support the theory.

There has been some recent interest in detecting and addressing memorization of training data by deep neural networks. A formal framework for memorization in generative models, called "data-copying," was proposed by Meehan et. al. (2020). We build upon their work to show that their framework may fail to detect certain kinds of blatant memorization. Motivated by this and the theory of non-parametric methods, we provide an alternative definition of data-copying that applies more locally. We provide a method to detect data-copying, and provably show that it works with high probability when enough data is available. We also provide lower bounds that characterize the sample requirement for reliable detection.

Many modern NLP systems rely on word embeddings, previously trained in an unsupervised manner on large corpora, as base features. Efforts to obtain embeddings for larger chunks of text, such as sentences, have however not been so successful. Several attempts at learning unsupervised representations of sentences have not reached satisfactory enough performance to be widely adopted. In this paper, we show how universal sentence representations trained using the supervised data of the Stanford Natural Language Inference datasets can consistently outperform unsupervised methods like SkipThought vectors on a wide range of transfer tasks. Much like how computer vision uses ImageNet to obtain features, which can then be transferred to other tasks, our work tends to indicate the suitability of natural language inference for transfer learning to other NLP tasks. Our encoder is publicly available.

Continuous word representations, trained on large unlabeled corpora are useful for many natural language processing tasks. Popular models that learn such representations ignore the morphology of words, by assigning a distinct vector to each word. This is a limitation, especially for languages with large vocabularies and many rare words. In this paper, we propose a new approach based on the skipgram model, where each word is represented as a bag of character n-grams. A vector representation is associated to each character n-gram; words being represented as the sum of these representations. Our method is fast, allowing to train models on large corpora quickly and allows us to compute word representations for words that did not appear in the training data. We evaluate our word representations on nine different languages, both on word similarity and analogy tasks. By comparing to recently proposed morphological word representations, we show that our vectors achieve state-of-the-art performance on these tasks.

It is well noted that coordinate based MLPs benefit -- in terms of preserving high-frequency information -- through the encoding of coordinate positions as an array of Fourier features. Hitherto, the rationale for the effectiveness of these positional encodings has been solely studied through a Fourier lens. In this paper, we strive to broaden this understanding by showing that alternative non-Fourier embedding functions can indeed be used for positional encoding. Moreover, we show that their performance is entirely determined by a trade-off between the stable rank of the embedded matrix and the distance preservation between embedded coordinates. We further establish that the now ubiquitous Fourier feature mapping of position is a special case that fulfills these conditions. Consequently, we present a more general theory to analyze positional encoding in terms of shifted basis functions. To this end, we develop the necessary theoretical formulae and empirically verify that our theoretical claims hold in practice. Codes available at https://github.com/osiriszjq/Rethinking-positional-encoding.

Recent literature shows that large-scale language modeling provides excellent reusable sentence representations with both recurrent and self-attentive architectures. However, there has been less clarity on the commonalities and differences in the representational properties induced by the two architectures. It also has been shown that visual information serves as one of the means for grounding sentence representations. In this paper, we present a meta-study assessing the representational quality of models where the training signal is obtained from different modalities, in particular, language modeling, image features prediction, and both textual and multimodal machine translation. We evaluate textual and visual features of sentence representations obtained using predominant approaches on image retrieval and semantic textual similarity. Our experiments reveal that on moderate-sized datasets, a sentence counterpart in a target language or visual modality provides much stronger training signal for sentence representation than language modeling. Importantly, we observe that while the Transformer models achieve superior machine translation quality, representations from the recurrent neural network based models perform significantly better over tasks focused on semantic relevance.

The advancement of transformer neural networks has significantly elevated the capabilities of sentence similarity models, particularly in creating effective vector representations of natural language inputs. However, these models face notable challenges in domain-specific contexts, especially in highly specialized scientific sub-fields. Traditional methods often struggle in this regime, either overgeneralizing similarities within a niche or being overly sensitive to minor differences, resulting in inaccurate text classification and subpar vector representation. In an era where retrieval augmentation and search are increasingly crucial, precise and concise numerical representations are essential. In this paper, we target this issue by assembling niche datasets using co-citations as a similarity metric, focusing on biomedical domains. We employ two key strategies for fine-tuning state-of-the-art models: 1. Domain-specific Fine-Tuning, which tailors pretrained models to a single domain, and 2. Universal Applicability with Mixture of Experts (MoE), adapting pretrained models with enforced routing for multiple domains simultaneously. Our training approach emphasizes the use of abstracts for faster training, incorporating Multiple Negative Rankings loss for efficient contrastive learning. Notably, our MoE variants, equipped with N experts, achieve the efficacy of N individual models, heralding a new era of versatile, One-Size-Fits-All transformer networks for various tasks. This methodology marks significant advancements in scientific text classification metrics and holds promise for enhancing vector database search and compilation.

It has been observed that representations learned by distinct neural networks conceal structural similarities when the models are trained under similar inductive biases. From a geometric perspective, identifying the classes of transformations and the related invariances that connect these representations is fundamental to unlocking applications, such as merging, stitching, and reusing different neural modules. However, estimating task-specific transformations a priori can be challenging and expensive due to several factors (e.g., weights initialization, training hyperparameters, or data modality). To this end, we introduce a versatile method to directly incorporate a set of invariances into the representations, constructing a product space of invariant components on top of the latent representations without requiring prior knowledge about the optimal invariance to infuse. We validate our solution on classification and reconstruction tasks, observing consistent latent similarity and downstream performance improvements in a zero-shot stitching setting. The experimental analysis comprises three modalities (vision, text, and graphs), twelve pretrained foundational models, nine benchmarks, and several architectures trained from scratch.

Neural networks that process the parameters of other neural networks find applications in domains as diverse as classifying implicit neural representations, generating neural network weights, and predicting generalization errors. However, existing approaches either overlook the inherent permutation symmetry in the neural network or rely on intricate weight-sharing patterns to achieve equivariance, while ignoring the impact of the network architecture itself. In this work, we propose to represent neural networks as computational graphs of parameters, which allows us to harness powerful graph neural networks and transformers that preserve permutation symmetry. Consequently, our approach enables a single model to encode neural computational graphs with diverse architectures. We showcase the effectiveness of our method on a wide range of tasks, including classification and editing of implicit neural representations, predicting generalization performance, and learning to optimize, while consistently outperforming state-of-the-art methods. The source code is open-sourced at https://github.com/mkofinas/neural-graphs.

Deep representations have shown promising performance when transferred to downstream tasks in a black-box manner. Yet, their inherent lack of interpretability remains a significant challenge, as these features are often opaque to human understanding. In this paper, we propose Non-negative Contrastive Learning (NCL), a renaissance of Non-negative Matrix Factorization (NMF) aimed at deriving interpretable features. The power of NCL lies in its enforcement of non-negativity constraints on features, reminiscent of NMF's capability to extract features that align closely with sample clusters. NCL not only aligns mathematically well with an NMF objective but also preserves NMF's interpretability attributes, resulting in a more sparse and disentangled representation compared to standard contrastive learning (CL). Theoretically, we establish guarantees on the identifiability and downstream generalization of NCL. Empirically, we show that these advantages enable NCL to outperform CL significantly on feature disentanglement, feature selection, as well as downstream classification tasks. At last, we show that NCL can be easily extended to other learning scenarios and benefit supervised learning as well. Code is available at https://github.com/PKU-ML/non_neg.

Dimensionality reduction methods are unsupervised approaches which learn low-dimensional spaces where some properties of the initial space, typically the notion of "neighborhood", are preserved. Such methods usually require propagation on large k-NN graphs or complicated optimization solvers. On the other hand, self-supervised learning approaches, typically used to learn representations from scratch, rely on simple and more scalable frameworks for learning. In this paper, we propose TLDR, a dimensionality reduction method for generic input spaces that is porting the recent self-supervised learning framework of Zbontar et al. (2021) to the specific task of dimensionality reduction, over arbitrary representations. We propose to use nearest neighbors to build pairs from a training set and a redundancy reduction loss to learn an encoder that produces representations invariant across such pairs. TLDR is a method that is simple, easy to train, and of broad applicability; it consists of an offline nearest neighbor computation step that can be highly approximated, and a straightforward learning process. Aiming for scalability, we focus on improving linear dimensionality reduction, and show consistent gains on image and document retrieval tasks, e.g. gaining +4% mAP over PCA on ROxford for GeM- AP, improving the performance of DINO on ImageNet or retaining it with a 10x compression.

An effective technique for obtaining high-quality representations is adding a projection head on top of the encoder during training, then discarding it and using the pre-projection representations. Despite its proven practical effectiveness, the reason behind the success of this technique is poorly understood. The pre-projection representations are not directly optimized by the loss function, raising the question: what makes them better? In this work, we provide a rigorous theoretical answer to this question. We start by examining linear models trained with self-supervised contrastive loss. We reveal that the implicit bias of training algorithms leads to layer-wise progressive feature weighting, where features become increasingly unequal as we go deeper into the layers. Consequently, lower layers tend to have more normalized and less specialized representations. We theoretically characterize scenarios where such representations are more beneficial, highlighting the intricate interplay between data augmentation and input features. Additionally, we demonstrate that introducing non-linearity into the network allows lower layers to learn features that are completely absent in higher layers. Finally, we show how this mechanism improves the robustness in supervised contrastive learning and supervised learning. We empirically validate our results through various experiments on CIFAR-10/100, UrbanCars and shifted versions of ImageNet. We also introduce a potential alternative to projection head, which offers a more interpretable and controllable design.

In this work, we have worked towards two major goals. Firstly, we have investigated the importance of Batch Normalisation (BN) layers in a non-contrastive representation learning framework called Bootstrap Your Own Latent (BYOL). We conducted several experiments to conclude that BN layers are not necessary for representation learning in BYOL. Moreover, BYOL only learns from the positive pairs of images but ignores other semantically similar images in the same input batch. For the second goal, we have introduced two new loss functions to determine the semantically similar pairs in the same input batch of images and reduce the distance between their representations. These loss functions are Cross-Cosine Similarity Loss (CCSL) and Cross-Sigmoid Similarity Loss (CSSL). Using the proposed loss functions, we are able to surpass the performance of Vanilla BYOL (71.04%) by training the BYOL framework using CCSL loss (76.87%) on the STL10 dataset. BYOL trained using CSSL loss performs comparably with Vanilla BYOL.

Self-supervised learning converts raw perceptual data such as images to a compact space where simple Euclidean distances measure meaningful variations in data. In this paper, we extend this formulation by adding additional geometric structure to the embedding space by enforcing transformations of input space to correspond to simple (i.e., linear) transformations of embedding space. Specifically, in the contrastive learning setting, we introduce an equivariance objective and theoretically prove that its minima forces augmentations on input space to correspond to rotations on the spherical embedding space. We show that merely combining our equivariant loss with a non-collapse term results in non-trivial representations, without requiring invariance to data augmentations. Optimal performance is achieved by also encouraging approximate invariance, where input augmentations correspond to small rotations. Our method, CARE: Contrastive Augmentation-induced Rotational Equivariance, leads to improved performance on downstream tasks, and ensures sensitivity in embedding space to important variations in data (e.g., color) that standard contrastive methods do not achieve. Code is available at https://github.com/Sharut/CARE.

We present a Non-parametric Network for 3D point cloud analysis, Point-NN, which consists of purely non-learnable components: farthest point sampling (FPS), k-nearest neighbors (k-NN), and pooling operations, with trigonometric functions. Surprisingly, it performs well on various 3D tasks, requiring no parameters or training, and even surpasses existing fully trained models. Starting from this basic non-parametric model, we propose two extensions. First, Point-NN can serve as a base architectural framework to construct Parametric Networks by simply inserting linear layers on top. Given the superior non-parametric foundation, the derived Point-PN exhibits a high performance-efficiency trade-off with only a few learnable parameters. Second, Point-NN can be regarded as a plug-and-play module for the already trained 3D models during inference. Point-NN captures the complementary geometric knowledge and enhances existing methods for different 3D benchmarks without re-training. We hope our work may cast a light on the community for understanding 3D point clouds with non-parametric methods. Code is available at https://github.com/ZrrSkywalker/Point-NN.

Invariance learning algorithms that conditionally filter out domain-specific random variables as distractors, do so based only on the data semantics, and not the target domain under evaluation. We show that a provably optimal and sample-efficient way of learning conditional invariances is by relaxing the invariance criterion to be non-commutatively directed towards the target domain. Under domain asymmetry, i.e., when the target domain contains semantically relevant information absent in the source, the risk of the encoder varphi^* that is optimal on average across domains is strictly lower-bounded by the risk of the target-specific optimal encoder Phi^*_tau. We prove that non-commutativity steers the optimization towards Phi^*_tau instead of varphi^*, bringing the H-divergence between domains down to zero, leading to a stricter bound on the target risk. Both our theory and experiments demonstrate that non-commutative invariance (NCI) can leverage source domain samples to meet the sample complexity needs of learning Phi^*_tau, surpassing SOTA invariance learning algorithms for domain adaptation, at times by over 2%, approaching the performance of an oracle. Implementation is available at https://github.com/abhrac/nci.

In generative models, two paradigms have gained attraction in various applications: next-set prediction-based Masked Generative Models and next-noise prediction-based Non-Autoregressive Models, e.g., Diffusion Models. In this work, we propose using discrete-state models to connect them and explore their scalability in the vision domain. First, we conduct a step-by-step analysis in a unified design space across two types of models including timestep-independence, noise schedule, temperature, guidance strength, etc in a scalable manner. Second, we re-cast typical discriminative tasks, e.g., image segmentation, as an unmasking process from [MASK]tokens on a discrete-state model. This enables us to perform various sampling processes, including flexible conditional sampling by only training once to model the joint distribution. All aforementioned explorations lead to our framework named Discrete Interpolants, which enables us to achieve state-of-the-art or competitive performance compared to previous discrete-state based methods in various benchmarks, like ImageNet256, MS COCO, and video dataset FaceForensics. In summary, by leveraging [MASK] in discrete-state models, we can bridge Masked Generative and Non-autoregressive Diffusion models, as well as generative and discriminative tasks.

In the realms of computer vision, it is evident that deep neural networks perform better in a supervised setting with a large amount of labeled data. The representations learned with supervision are not only of high quality but also helps the model in enhancing its accuracy. However, the collection and annotation of a large dataset are costly and time-consuming. To avoid the same, there has been a lot of research going on in the field of unsupervised visual representation learning especially in a self-supervised setting. Amongst the recent advancements in self-supervised methods for visual recognition, in SimCLR Chen et al. shows that good quality representations can indeed be learned without explicit supervision. In SimCLR, the authors maximize the similarity of augmentations of the same image and minimize the similarity of augmentations of different images. A linear classifier trained with the representations learned using this approach yields 76.5% top-1 accuracy on the ImageNet ILSVRC-2012 dataset. In this work, we propose that, with the normalized temperature-scaled cross-entropy (NT-Xent) loss function (as used in SimCLR), it is beneficial to not have images of the same category in the same batch. In an unsupervised setting, the information of images pertaining to the same category is missing. We use the latent space representation of a denoising autoencoder trained on the unlabeled dataset and cluster them with k-means to obtain pseudo labels. With this apriori information we batch images, where no two images from the same category are to be found. We report comparable performance enhancements on the CIFAR10 dataset and a subset of the ImageNet dataset. We refer to our method as G-SimCLR.

Machine learning for differential equations paves the way for computationally efficient alternatives to numerical solvers, with potentially broad impacts in science and engineering. Though current algorithms typically require simulated training data tailored to a given setting, one may instead wish to learn useful information from heterogeneous sources, or from real dynamical systems observations that are messy or incomplete. In this work, we learn general-purpose representations of PDEs from heterogeneous data by implementing joint embedding methods for self-supervised learning (SSL), a framework for unsupervised representation learning that has had notable success in computer vision. Our representation outperforms baseline approaches to invariant tasks, such as regressing the coefficients of a PDE, while also improving the time-stepping performance of neural solvers. We hope that our proposed methodology will prove useful in the eventual development of general-purpose foundation models for PDEs.

Learning representations that capture the underlying data generating process is a key problem for data efficient and robust use of neural networks. One key property for robustness which the learned representation should capture and which recently received a lot of attention is described by the notion of invariance. In this work we provide a causal perspective and new algorithm for learning invariant representations. Empirically we show that this algorithm works well on a diverse set of tasks and in particular we observe state-of-the-art performance on domain generalization, where we are able to significantly boost the score of existing models.

Neural retrievers based on dense representations combined with Approximate Nearest Neighbors search have recently received a lot of attention, owing their success to distillation and/or better sampling of examples for training -- while still relying on the same backbone architecture. In the meantime, sparse representation learning fueled by traditional inverted indexing techniques has seen a growing interest, inheriting from desirable IR priors such as explicit lexical matching. While some architectural variants have been proposed, a lesser effort has been put in the training of such models. In this work, we build on SPLADE -- a sparse expansion-based retriever -- and show to which extent it is able to benefit from the same training improvements as dense models, by studying the effect of distillation, hard-negative mining as well as the Pre-trained Language Model initialization. We furthermore study the link between effectiveness and efficiency, on in-domain and zero-shot settings, leading to state-of-the-art results in both scenarios for sufficiently expressive models.

Despite rapid adoption and deployment of large language models (LLMs), the internal computations of these models remain opaque and poorly understood. In this work, we seek to understand how high-level human-interpretable features are represented within the internal neuron activations of LLMs. We train k-sparse linear classifiers (probes) on these internal activations to predict the presence of features in the input; by varying the value of k we study the sparsity of learned representations and how this varies with model scale. With k=1, we localize individual neurons which are highly relevant for a particular feature, and perform a number of case studies to illustrate general properties of LLMs. In particular, we show that early layers make use of sparse combinations of neurons to represent many features in superposition, that middle layers have seemingly dedicated neurons to represent higher-level contextual features, and that increasing scale causes representational sparsity to increase on average, but there are multiple types of scaling dynamics. In all, we probe for over 100 unique features comprising 10 different categories in 7 different models spanning 70 million to 6.9 billion parameters.

The premise of identifiable and causal representation learning is to improve the current representation learning paradigm in terms of generalizability or robustness. Despite recent progress in questions of identifiability, more theoretical results demonstrating concrete advantages of these methods for downstream tasks are needed. In this paper, we consider the task of intervention extrapolation: predicting how interventions affect an outcome, even when those interventions are not observed at training time, and show that identifiable representations can provide an effective solution to this task even if the interventions affect the outcome non-linearly. Our setup includes an outcome Y, observed features X, which are generated as a non-linear transformation of latent features Z, and exogenous action variables A, which influence Z. The objective of intervention extrapolation is to predict how interventions on A that lie outside the training support of A affect Y. Here, extrapolation becomes possible if the effect of A on Z is linear and the residual when regressing Z on A has full support. As Z is latent, we combine the task of intervention extrapolation with identifiable representation learning, which we call Rep4Ex: we aim to map the observed features X into a subspace that allows for non-linear extrapolation in A. We show that the hidden representation is identifiable up to an affine transformation in Z-space, which is sufficient for intervention extrapolation. The identifiability is characterized by a novel constraint describing the linearity assumption of A on Z. Based on this insight, we propose a method that enforces the linear invariance constraint and can be combined with any type of autoencoder. We validate our theoretical findings through synthetic experiments and show that our approach succeeds in predicting the effects of unseen interventions.

A key feature of neural models is that they can produce semantic vector representations of objects (texts, images, speech, etc.) ensuring that similar objects are close to each other in the vector space. While much work has focused on learning representations for other modalities, there are no aligned cross-modal representations for text and knowledge base (KB) elements. One challenge for learning such representations is the lack of parallel data, which we use contrastive training on heuristics-based datasets and data augmentation to overcome, training embedding models on (KB graph, text) pairs. On WebNLG, a cleaner manually crafted dataset, we show that they learn aligned representations suitable for retrieval. We then fine-tune on annotated data to create EREDAT (Ensembled Representations for Evaluation of DAta-to-Text), a similarity metric between English text and KB graphs. EREDAT outperforms or matches state-of-the-art metrics in terms of correlation with human judgments on WebNLG even though, unlike them, it does not require a reference text to compare against.

Efficient k-nearest neighbor search is a fundamental task, foundational for many problems in NLP. When the similarity is measured by dot-product between dual-encoder vectors or ell_2-distance, there already exist many scalable and efficient search methods. But not so when similarity is measured by more accurate and expensive black-box neural similarity models, such as cross-encoders, which jointly encode the query and candidate neighbor. The cross-encoders' high computational cost typically limits their use to reranking candidates retrieved by a cheaper model, such as dual encoder or TF-IDF. However, the accuracy of such a two-stage approach is upper-bounded by the recall of the initial candidate set, and potentially requires additional training to align the auxiliary retrieval model with the cross-encoder model. In this paper, we present an approach that avoids the use of a dual-encoder for retrieval, relying solely on the cross-encoder. Retrieval is made efficient with CUR decomposition, a matrix decomposition approach that approximates all pairwise cross-encoder distances from a small subset of rows and columns of the distance matrix. Indexing items using our approach is computationally cheaper than training an auxiliary dual-encoder model through distillation. Empirically, for k > 10, our approach provides test-time recall-vs-computational cost trade-offs superior to the current widely-used methods that re-rank items retrieved using a dual-encoder or TF-IDF.

Word embeddings are an essential component in a wide range of natural language processing applications. However, distributional semantic models are known to struggle when only a small number of context sentences are available. Several methods have been proposed to obtain higher-quality vectors for these words, leveraging both this context information and sometimes the word forms themselves through a hybrid approach. We show that the current tasks do not suffice to evaluate models that use word-form information, as such models can easily leverage word forms in the training data that are related to word forms in the test data. We introduce 3 new tasks, allowing for a more balanced comparison between models. Furthermore, we show that hyperparameters that have largely been ignored in previous work can consistently improve the performance of both baseline and advanced models, achieving a new state of the art on 4 out of 6 tasks.

It is often useful to compactly summarize important properties of model parameters and training data so that they can be used later without storing and/or iterating over the entire dataset. As a specific case, we consider estimating the Function Space Distance (FSD) over a training set, i.e. the average discrepancy between the outputs of two neural networks. We propose a Linearized Activation Function TRick (LAFTR) and derive an efficient approximation to FSD for ReLU neural networks. The key idea is to approximate the architecture as a linear network with stochastic gating. Despite requiring only one parameter per unit of the network, our approach outcompetes other parametric approximations with larger memory requirements. Applied to continual learning, our parametric approximation is competitive with state-of-the-art nonparametric approximations, which require storing many training examples. Furthermore, we show its efficacy in estimating influence functions accurately and detecting mislabeled examples without expensive iterations over the entire dataset.

Neural network classifiers have become the de-facto choice for current "pre-train then fine-tune" paradigms of visual classification. In this paper, we investigate k-Nearest-Neighbor (k-NN) classifiers, a classical model-free learning method from the pre-deep learning era, as an augmentation to modern neural network based approaches. As a lazy learning method, k-NN simply aggregates the distance between the test image and top-k neighbors in a training set. We adopt k-NN with pre-trained visual representations produced by either supervised or self-supervised methods in two steps: (1) Leverage k-NN predicted probabilities as indications for easy vs. hard examples during training. (2) Linearly interpolate the k-NN predicted distribution with that of the augmented classifier. Via extensive experiments on a wide range of classification tasks, our study reveals the generality and flexibility of k-NN integration with additional insights: (1) k-NN achieves competitive results, sometimes even outperforming a standard linear classifier. (2) Incorporating k-NN is especially beneficial for tasks where parametric classifiers perform poorly and / or in low-data regimes. We hope these discoveries will encourage people to rethink the role of pre-deep learning, classical methods in computer vision. Our code is available at: https://github.com/KMnP/nn-revisit.

Diffusion Models are popular generative modeling methods in various vision tasks, attracting significant attention. They can be considered a unique instance of self-supervised learning methods due to their independence from label annotation. This survey explores the interplay between diffusion models and representation learning. It provides an overview of diffusion models' essential aspects, including mathematical foundations, popular denoising network architectures, and guidance methods. Various approaches related to diffusion models and representation learning are detailed. These include frameworks that leverage representations learned from pre-trained diffusion models for subsequent recognition tasks and methods that utilize advancements in representation and self-supervised learning to enhance diffusion models. This survey aims to offer a comprehensive overview of the taxonomy between diffusion models and representation learning, identifying key areas of existing concerns and potential exploration. Github link: https://github.com/dongzhuoyao/Diffusion-Representation-Learning-Survey-Taxonomy

Understanding what defines a good representation in large language models (LLMs) is fundamental to both theoretical understanding and practical applications. In this paper, we investigate the quality of intermediate representations in various LLM architectures, including Transformers and State Space Models (SSMs). We find that intermediate layers often yield more informative representations for downstream tasks than the final layers. To measure the representation quality, we adapt and apply a suite of metrics - such as prompt entropy, curvature, and augmentation-invariance - originally proposed in other contexts. Our empirical study reveals significant architectural differences, how representations evolve throughout training, and how factors like input randomness and prompt length affect each layer. Notably, we observe a bimodal pattern in the entropy of some intermediate layers and consider potential explanations tied to training data. Overall, our results illuminate the internal mechanics of LLMs and guide strategies for architectural optimization and training.

Representation-based retrieval models, so-called biencoders, estimate the relevance of a document to a query by calculating the similarity of their respective embeddings. Current state-of-the-art biencoders are trained using an expensive training regime involving knowledge distillation from a teacher model and batch-sampling. Instead of relying on a teacher model, we contribute a novel parameter-free loss function for self-supervision that exploits the pre-trained language modeling capabilities of the encoder model as a training signal, eliminating the need for batch sampling by performing implicit hard negative mining. We investigate the capabilities of our proposed approach through extensive ablation studies, demonstrating that self-distillation can match the effectiveness of teacher distillation using only 13.5% of the data, while offering a speedup in training time between 3x and 15x compared to parametrized losses. Code and data is made openly available.

Word embeddings and language models have transformed natural language processing (NLP) by facilitating the representation of linguistic elements in continuous vector spaces. This review visits foundational concepts such as the distributional hypothesis and contextual similarity, tracing the evolution from sparse representations like one-hot encoding to dense embeddings including Word2Vec, GloVe, and fastText. We examine both static and contextualized embeddings, underscoring advancements in models such as ELMo, BERT, and GPT and their adaptations for cross-lingual and personalized applications. The discussion extends to sentence and document embeddings, covering aggregation methods and generative topic models, along with the application of embeddings in multimodal domains, including vision, robotics, and cognitive science. Advanced topics such as model compression, interpretability, numerical encoding, and bias mitigation are analyzed, addressing both technical challenges and ethical implications. Additionally, we identify future research directions, emphasizing the need for scalable training techniques, enhanced interpretability, and robust grounding in non-textual modalities. By synthesizing current methodologies and emerging trends, this survey offers researchers and practitioners an in-depth resource to push the boundaries of embedding-based language models.

Masked Language Modeling (MLM) has been one of the most prominent approaches for pretraining bidirectional text encoders due to its simplicity and effectiveness. One notable concern about MLM is that the special [MASK] symbol causes a discrepancy between pretraining data and downstream data as it is present only in pretraining but not in fine-tuning. In this work, we offer a new perspective on the consequence of such a discrepancy: We demonstrate empirically and theoretically that MLM pretraining allocates some model dimensions exclusively for representing [MASK] tokens, resulting in a representation deficiency for real tokens and limiting the pretrained model's expressiveness when it is adapted to downstream data without [MASK] tokens. Motivated by the identified issue, we propose MAE-LM, which pretrains the Masked Autoencoder architecture with MLM where [MASK] tokens are excluded from the encoder. Empirically, we show that MAE-LM improves the utilization of model dimensions for real token representations, and MAE-LM consistently outperforms MLM-pretrained models across different pretraining settings and model sizes when fine-tuned on the GLUE and SQuAD benchmarks.

Common approaches rely on fixed-length embedding vectors from language models as sentence embeddings for downstream tasks such as semantic textual similarity (STS). Such methods are limited in their flexibility due to unknown computational constraints and budgets across various applications. Matryoshka Representation Learning (MRL) (Kusupati et al., 2022) encodes information at finer granularities, i.e., with lower embedding dimensions, to adaptively accommodate ad hoc tasks. Similar accuracy can be achieved with a smaller embedding size, leading to speedups in downstream tasks. Despite its improved efficiency, MRL still requires traversing all Transformer layers before obtaining the embedding, which remains the dominant factor in time and memory consumption. This prompts consideration of whether the fixed number of Transformer layers affects representation quality and whether using intermediate layers for sentence representation is feasible. In this paper, we introduce a novel sentence embedding model called Two-dimensional Matryoshka Sentence Embedding (2DMSE). It supports elastic settings for both embedding sizes and Transformer layers, offering greater flexibility and efficiency than MRL. We conduct extensive experiments on STS tasks and downstream applications. The experimental results demonstrate the effectiveness of our proposed model in dynamically supporting different embedding sizes and Transformer layers, allowing it to be highly adaptable to various scenarios.

Existing language models (LMs) predict tokens with a softmax over a finite vocabulary, which can make it difficult to predict rare tokens or phrases. We introduce NPM, the first nonparametric masked language model that replaces this softmax with a nonparametric distribution over every phrase in a reference corpus. We show that NPM can be efficiently trained with a contrastive objective and an in-batch approximation to full corpus retrieval. Zero-shot evaluation on 9 closed-set tasks and 7 open-set tasks demonstrates that NPM outperforms significantly larger parametric models, either with or without a retrieve-and-generate approach. It is particularly better on dealing with rare patterns (word senses or facts), and predicting rare or nearly unseen words (e.g., non-Latin script). We release the model and code at github.com/facebookresearch/NPM.

Self-supervised representation learning solves auxiliary prediction tasks (known as pretext tasks) without requiring labeled data to learn useful semantic representations. These pretext tasks are created solely using the input features, such as predicting a missing image patch, recovering the color channels of an image from context, or predicting missing words in text; yet predicting this known information helps in learning representations effective for downstream prediction tasks. We posit a mechanism exploiting the statistical connections between certain {\em reconstruction-based} pretext tasks that guarantee to learn a good representation. Formally, we quantify how the approximate independence between the components of the pretext task (conditional on the label and latent variables) allows us to learn representations that can solve the downstream task by just training a linear layer on top of the learned representation. We prove the linear layer yields small approximation error even for complex ground truth function class and will drastically reduce labeled sample complexity. Next, we show a simple modification of our method leads to nonlinear CCA, analogous to the popular SimSiam algorithm, and show similar guarantees for nonlinear CCA.

Mixture models are traditionally represented and learned by adding several distributions as components. Allowing mixtures to subtract probability mass or density can drastically reduce the number of components needed to model complex distributions. However, learning such subtractive mixtures while ensuring they still encode a non-negative function is challenging. We investigate how to learn and perform inference on deep subtractive mixtures by squaring them. We do this in the framework of probabilistic circuits, which enable us to represent tensorized mixtures and generalize several other subtractive models. We theoretically prove that the class of squared circuits allowing subtractions can be exponentially more expressive than traditional additive mixtures; and, we empirically show this increased expressiveness on a series of real-world distribution estimation tasks.

Asymmetrical distance structures (quasimetrics) are ubiquitous in our lives and are gaining more attention in machine learning applications. Imposing such quasimetric structures in model representations has been shown to improve many tasks, including reinforcement learning (RL) and causal relation learning. In this work, we present four desirable properties in such quasimetric models, and show how prior works fail at them. We propose Interval Quasimetric Embedding (IQE), which is designed to satisfy all four criteria. On three quasimetric learning experiments, IQEs show strong approximation and generalization abilities, leading to better performance and improved efficiency over prior methods. Project Page: https://www.tongzhouwang.info/interval_quasimetric_embedding Quasimetric Learning Code Package: https://www.github.com/quasimetric-learning/torch-quasimetric

Large language models (LLMs) often hallucinate and lack the ability to provide attribution for their generations. Semi-parametric LMs, such as kNN-LM, approach these limitations by refining the output of an LM for a given prompt using its nearest neighbor matches in a non-parametric data store. However, these models often exhibit slow inference speeds and produce non-fluent texts. In this paper, we introduce Nearest Neighbor Speculative Decoding (NEST), a novel semi-parametric language modeling approach that is capable of incorporating real-world text spans of arbitrary length into the LM generations and providing attribution to their sources. NEST performs token-level retrieval at each inference step to compute a semi-parametric mixture distribution and identify promising span continuations in a corpus. It then uses an approximate speculative decoding procedure that accepts a prefix of the retrieved span or generates a new token. NEST significantly enhances the generation quality and attribution rate of the base LM across a variety of knowledge-intensive tasks, surpassing the conventional kNN-LM method and performing competitively with in-context retrieval augmentation. In addition, NEST substantially improves the generation speed, achieving a 1.8x speedup in inference time when applied to Llama-2-Chat 70B.

Equivariant neural networks have shown improved performance, expressiveness and sample complexity on symmetrical domains. But for some specific symmetries, representations, and choice of coordinates, the most common point-wise activations, such as ReLU, are not equivariant, hence they cannot be employed in the design of equivariant neural networks. The theorem we present in this paper describes all possible combinations of finite-dimensional representations, choice of coordinates and point-wise activations to obtain an exactly equivariant layer, generalizing and strengthening existing characterizations. Notable cases of practical relevance are discussed as corollaries. Indeed, we prove that rotation-equivariant networks can only be invariant, as it happens for any network which is equivariant with respect to connected compact groups. Then, we discuss implications of our findings when applied to important instances of exactly equivariant networks. First, we completely characterize permutation equivariant networks such as Invariant Graph Networks with point-wise nonlinearities and their geometric counterparts, highlighting a plethora of models whose expressive power and performance are still unknown. Second, we show that feature spaces of disentangled steerable convolutional neural networks are trivial representations.

Large Language Models achieve next-token prediction by transporting a vectorized piece of text (prompt) across an accompanying embedding space under the action of successive transformer layers. The resulting high-dimensional trajectories realize different contextualization, or 'thinking', steps, and fully determine the output probability distribution. We aim to characterize the statistical properties of ensembles of these 'lines of thought.' We observe that independent trajectories cluster along a low-dimensional, non-Euclidean manifold, and that their path can be well approximated by a stochastic equation with few parameters extracted from data. We find it remarkable that the vast complexity of such large models can be reduced to a much simpler form, and we reflect on implications.

Nonlinear sufficient dimension reductionlibing_generalSDR, which constructs nonlinear low-dimensional representations to summarize essential features of high-dimensional data, is an important branch of representation learning. However, most existing methods are not applicable when the response variables are complex non-Euclidean random objects, which are frequently encountered in many recent statistical applications. In this paper, we introduce a new statistical dependence measure termed Fr\'echet Cumulative Covariance (FCCov) and develop a novel nonlinear SDR framework based on FCCov. Our approach is not only applicable to complex non-Euclidean data, but also exhibits robustness against outliers. We further incorporate Feedforward Neural Networks (FNNs) and Convolutional Neural Networks (CNNs) to estimate nonlinear sufficient directions in the sample level. Theoretically, we prove that our method with squared Frobenius norm regularization achieves unbiasedness at the sigma-field level. Furthermore, we establish non-asymptotic convergence rates for our estimators based on FNNs and ResNet-type CNNs, which match the minimax rate of nonparametric regression up to logarithmic factors. Intensive simulation studies verify the performance of our methods in both Euclidean and non-Euclidean settings. We apply our method to facial expression recognition datasets and the results underscore more realistic and broader applicability of our proposal.

Transformers are widely used to extract semantic meanings from input tokens, yet they usually operate as black-box models. In this paper, we present a simple yet informative decomposition of hidden states (or embeddings) of trained transformers into interpretable components. For any layer, embedding vectors of input sequence samples are represented by a tensor h in R^{C times T times d}. Given embedding vector h_{c,t} in R^d at sequence position t le T in a sequence (or context) c le C, extracting the mean effects yields the decomposition \[ h_{c,t} = \mu + pos_t + ctx_c + resid_{c,t} \] where mu is the global mean vector, pos_t and ctx_c are the mean vectors across contexts and across positions respectively, and resid_{c,t} is the residual vector. For popular transformer architectures and diverse text datasets, empirically we find pervasive mathematical structure: (1) (pos_t)_{t} forms a low-dimensional, continuous, and often spiral shape across layers, (2) (ctx_c)_c shows clear cluster structure that falls into context topics, and (3) (pos_t)_{t} and (ctx_c)_c are mutually nearly orthogonal. We argue that smoothness is pervasive and beneficial to transformers trained on languages, and our decomposition leads to improved model interpretability.

While static word embedding models are known to represent linguistic analogies as parallel lines in high-dimensional space, the underlying mechanism as to why they result in such geometric structures remains obscure. We find that an elementary contrastive-style method employed over distributional information performs competitively with popular word embedding models on analogy recovery tasks, while achieving dramatic speedups in training time. Further, we demonstrate that a contrastive loss is sufficient to create these parallel structures in word embeddings, and establish a precise relationship between the co-occurrence statistics and the geometric structure of the resulting word embeddings.

We propose Hyper-Dimensional Function Encoding (HDFE). Given samples of a continuous object (e.g. a function), HDFE produces an explicit vector representation of the given object, invariant to the sample distribution and density. Sample distribution and density invariance enables HDFE to consistently encode continuous objects regardless of their sampling, and therefore allows neural networks to receive continuous objects as inputs for machine learning tasks, such as classification and regression. Besides, HDFE does not require any training and is proved to map the object into an organized embedding space, which facilitates the training of the downstream tasks. In addition, the encoding is decodable, which enables neural networks to regress continuous objects by regressing their encodings. Therefore, HDFE serves as an interface for processing continuous objects. We apply HDFE to function-to-function mapping, where vanilla HDFE achieves competitive performance as the state-of-the-art algorithm. We apply HDFE to point cloud surface normal estimation, where a simple replacement from PointNet to HDFE leads to immediate 12% and 15% error reductions in two benchmarks. In addition, by integrating HDFE into the PointNet-based SOTA network, we improve the SOTA baseline by 2.5% and 1.7% in the same benchmarks.

Hypernetworks, neural networks that predict the parameters of another neural network, are powerful models that have been successfully used in diverse applications from image generation to multi-task learning. Unfortunately, existing hypernetworks are often challenging to train. Training typically converges far more slowly than for non-hypernetwork models, and the rate of convergence can be very sensitive to hyperparameter choices. In this work, we identify a fundamental and previously unidentified problem that contributes to the challenge of training hypernetworks: a magnitude proportionality between the inputs and outputs of the hypernetwork. We demonstrate both analytically and empirically that this can lead to unstable optimization, thereby slowing down convergence, and sometimes even preventing any learning. We present a simple solution to this problem using a revised hypernetwork formulation that we call Magnitude Invariant Parametrizations (MIP). We demonstrate the proposed solution on several hypernetwork tasks, where it consistently stabilizes training and achieves faster convergence. Furthermore, we perform a comprehensive ablation study including choices of activation function, normalization strategies, input dimensionality, and hypernetwork architecture; and find that MIP improves training in all scenarios. We provide easy-to-use code that can turn existing networks into MIP-based hypernetworks.

We describe a novel attribution method which is grounded in Sensitivity Analysis and uses Sobol indices. Beyond modeling the individual contributions of image regions, Sobol indices provide an efficient way to capture higher-order interactions between image regions and their contributions to a neural network's prediction through the lens of variance. We describe an approach that makes the computation of these indices efficient for high-dimensional problems by using perturbation masks coupled with efficient estimators to handle the high dimensionality of images. Importantly, we show that the proposed method leads to favorable scores on standard benchmarks for vision (and language models) while drastically reducing the computing time compared to other black-box methods -- even surpassing the accuracy of state-of-the-art white-box methods which require access to internal representations. Our code is freely available: https://github.com/fel-thomas/Sobol-Attribution-Method

Real-world large-scale datasets are both noisily labeled and class-imbalanced. The issues seriously hurt the generalization of trained models. It is hence significant to address the simultaneous incorrect labeling and class-imbalance, i.e., the problem of learning with noisy labels on long-tailed data. Previous works develop several methods for the problem. However, they always rely on strong assumptions that are invalid or hard to be checked in practice. In this paper, to handle the problem and address the limitations of prior works, we propose a representation calibration method RCAL. Specifically, RCAL works with the representations extracted by unsupervised contrastive learning. We assume that without incorrect labeling and class imbalance, the representations of instances in each class conform to a multivariate Gaussian distribution, which is much milder and easier to be checked. Based on the assumption, we recover underlying representation distributions from polluted ones resulting from mislabeled and class-imbalanced data. Additional data points are then sampled from the recovered distributions to help generalization. Moreover, during classifier training, representation learning takes advantage of representation robustness brought by contrastive learning, which further improves the classifier performance. We derive theoretical results to discuss the effectiveness of our representation calibration. Experiments on multiple benchmarks justify our claims and confirm the superiority of the proposed method.

Disentangled representation learning remains challenging as the underlying factors of variation in the data do not naturally exist. The inherent complexity of real-world data makes it unfeasible to exhaustively enumerate and encapsulate all its variations within a finite set of factors. However, it is worth noting that most real-world data have linguistic equivalents, typically in the form of textual descriptions. These linguistic counterparts can represent the data and effortlessly decomposed into distinct tokens. In light of this, we present Vocabulary Disentangled Retrieval (VDR), a retrieval-based framework that harnesses natural language as proxies of the underlying data variation to drive disentangled representation learning. Our approach employ a bi-encoder model to represent both data and natural language in a vocabulary space, enabling the model to distinguish dimensions that capture intrinsic characteristics within data through its natural language counterpart, thus facilitating disentanglement. We extensively assess the performance of VDR across 15 retrieval benchmark datasets, covering text-to-text and cross-modal retrieval scenarios, as well as human evaluation. Our experimental results compellingly demonstrate the superiority of VDR over previous bi-encoder retrievers with comparable model size and training costs, achieving an impressive 8.7% improvement in NDCG@10 on the BEIR benchmark, a 5.3% increase on MS COCO, and a 6.0% increase on Flickr30k in terms of mean recall in the zero-shot setting. Moreover, The results from human evaluation indicate that interpretability of our method is on par with SOTA captioning models.

The capabilities of large language models (LLMs) have sparked debate over whether such systems just learn an enormous collection of superficial statistics or a coherent model of the data generating process -- a world model. We find evidence for the latter by analyzing the learned representations of three spatial datasets (world, US, NYC places) and three temporal datasets (historical figures, artworks, news headlines) in the Llama-2 family of models. We discover that LLMs learn linear representations of space and time across multiple scales. These representations are robust to prompting variations and unified across different entity types (e.g. cities and landmarks). In addition, we identify individual ``space neurons'' and ``time neurons'' that reliably encode spatial and temporal coordinates. Our analysis demonstrates that modern LLMs acquire structured knowledge about fundamental dimensions such as space and time, supporting the view that they learn not merely superficial statistics, but literal world models.

This paper presents a significant improvement on the previous conference paper known as DefSent. The prior study seeks to improve sentence embeddings of language models by projecting definition sentences into the vector space of dictionary entries. We discover that this approach is not fully explored due to the methodological limitation of using word embeddings of language models to represent dictionary entries. This leads to two hindrances. First, dictionary entries are constrained by the single-word vocabulary, and thus cannot be fully exploited. Second, semantic representations of language models are known to be anisotropic, but pre-processing word embeddings for DefSent is not allowed because its weight is frozen during training and tied to the prediction layer. In this paper, we propose a novel method to progressively build entry embeddings not subject to the limitations. As a result, definition sentences can be projected into a quasi-isotropic or isotropic vector space of unlimited dictionary entries, so that sentence embeddings of noticeably better quality are attainable. We abbreviate our approach as DefSent+ (a plus version of DefSent), involving the following strengths: 1) the task performance on measuring sentence similarities is significantly improved compared to DefSent; 2) when DefSent+ is used to further train data-augmented models like SIMCSE, SNCSE, and SynCSE, state-of-the-art performance on measuring sentence similarities can be achieved among the approaches without using manually labeled datasets; 3) DefSent+ is also competitive in feature-based transfer for NLP downstream tasks.

Dual encoders perform retrieval by encoding documents and queries into dense lowdimensional vectors, scoring each document by its inner product with the query. We investigate the capacity of this architecture relative to sparse bag-of-words models and attentional neural networks. Using both theoretical and empirical analysis, we establish connections between the encoding dimension, the margin between gold and lower-ranked documents, and the document length, suggesting limitations in the capacity of fixed-length encodings to support precise retrieval of long documents. Building on these insights, we propose a simple neural model that combines the efficiency of dual encoders with some of the expressiveness of more costly attentional architectures, and explore sparse-dense hybrids to capitalize on the precision of sparse retrieval. These models outperform strong alternatives in large-scale retrieval.

We propose a method for generating paraphrases of English questions that retain the original intent but use a different surface form. Our model combines a careful choice of training objective with a principled information bottleneck, to induce a latent encoding space that disentangles meaning and form. We train an encoder-decoder model to reconstruct a question from a paraphrase with the same meaning and an exemplar with the same surface form, leading to separated encoding spaces. We use a Vector-Quantized Variational Autoencoder to represent the surface form as a set of discrete latent variables, allowing us to use a classifier to select a different surface form at test time. Crucially, our method does not require access to an external source of target exemplars. Extensive experiments and a human evaluation show that we are able to generate paraphrases with a better tradeoff between semantic preservation and syntactic novelty compared to previous methods.

As its width tends to infinity, a deep neural network's behavior under gradient descent can become simplified and predictable (e.g. given by the Neural Tangent Kernel (NTK)), if it is parametrized appropriately (e.g. the NTK parametrization). However, we show that the standard and NTK parametrizations of a neural network do not admit infinite-width limits that can learn features, which is crucial for pretraining and transfer learning such as with BERT. We propose simple modifications to the standard parametrization to allow for feature learning in the limit. Using the *Tensor Programs* technique, we derive explicit formulas for such limits. On Word2Vec and few-shot learning on Omniglot via MAML, two canonical tasks that rely crucially on feature learning, we compute these limits exactly. We find that they outperform both NTK baselines and finite-width networks, with the latter approaching the infinite-width feature learning performance as width increases. More generally, we classify a natural space of neural network parametrizations that generalizes standard, NTK, and Mean Field parametrizations. We show 1) any parametrization in this space either admits feature learning or has an infinite-width training dynamics given by kernel gradient descent, but not both; 2) any such infinite-width limit can be computed using the Tensor Programs technique. Code for our experiments can be found at github.com/edwardjhu/TP4.

Representation learning has significantly driven the field to develop pretrained models that can act as a valuable starting point when transferring to new datasets. With the rising demand for reliable machine learning and uncertainty quantification, there is a need for pretrained models that not only provide embeddings but also transferable uncertainty estimates. To guide the development of such models, we propose the Uncertainty-aware Representation Learning (URL) benchmark. Besides the transferability of the representations, it also measures the zero-shot transferability of the uncertainty estimate using a novel metric. We apply URL to evaluate eleven uncertainty quantifiers that are pretrained on ImageNet and transferred to eight downstream datasets. We find that approaches that focus on the uncertainty of the representation itself or estimate the prediction risk directly outperform those that are based on the probabilities of upstream classes. Yet, achieving transferable uncertainty quantification remains an open challenge. Our findings indicate that it is not necessarily in conflict with traditional representation learning goals. Code is provided under https://github.com/mkirchhof/url .

Neural embedding models have become a fundamental component of modern information retrieval (IR) pipelines. These models produce a single embedding x in R^d per data-point, allowing for fast retrieval via highly optimized maximum inner product search (MIPS) algorithms. Recently, beginning with the landmark ColBERT paper, multi-vector models, which produce a set of embedding per data point, have achieved markedly superior performance for IR tasks. Unfortunately, using these models for IR is computationally expensive due to the increased complexity of multi-vector retrieval and scoring. In this paper, we introduce MUVERA (MUlti-VEctor Retrieval Algorithm), a retrieval mechanism which reduces multi-vector similarity search to single-vector similarity search. This enables the usage of off-the-shelf MIPS solvers for multi-vector retrieval. MUVERA asymmetrically generates Fixed Dimensional Encodings (FDEs) of queries and documents, which are vectors whose inner product approximates multi-vector similarity. We prove that FDEs give high-quality epsilon-approximations, thus providing the first single-vector proxy for multi-vector similarity with theoretical guarantees. Empirically, we find that FDEs achieve the same recall as prior state-of-the-art heuristics while retrieving 2-5times fewer candidates. Compared to prior state of the art implementations, MUVERA achieves consistently good end-to-end recall and latency across a diverse set of the BEIR retrieval datasets, achieving an average of 10% improved recall with 90% lower latency.

We investigate the internal representations of vision-and-language models (VLMs) and how they encode task representations. We consider tasks specified through examples or instructions, using either text or image inputs. Surprisingly, we find that conceptually similar tasks are mapped to similar task vector representations, regardless of how they are specified. Our findings suggest that to output answers, tokens in VLMs undergo three distinct phases: input, task, and answer, a process which is consistent across different modalities and specifications. The task vectors we identify in VLMs are general enough to be derived in one modality (e.g., text) and transferred to another (e.g., image). Additionally, we find that ensembling exemplar and instruction based task vectors produce better task representations. Taken together, these insights shed light on the underlying mechanisms of VLMs, particularly their ability to represent tasks in a shared manner across different modalities and task specifications. Project page: https://task-vectors-are-cross-modal.github.io.

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.

Implicit neural representations (INR) have gained significant popularity for signal and image representation for many end-tasks, such as superresolution, 3D modeling, and more. Most INR architectures rely on sinusoidal positional encoding, which accounts for high-frequency information in data. However, the finite encoding size restricts the model's representational power. Higher representational power is needed to go from representing a single given image to representing large and diverse datasets. Our approach addresses this gap by representing an image with a polynomial function and eliminates the need for positional encodings. Therefore, to achieve a progressively higher degree of polynomial representation, we use element-wise multiplications between features and affine-transformed coordinate locations after every ReLU layer. The proposed method is evaluated qualitatively and quantitatively on large datasets like ImageNet. The proposed Poly-INR model performs comparably to state-of-the-art generative models without any convolution, normalization, or self-attention layers, and with far fewer trainable parameters. With much fewer training parameters and higher representative power, our approach paves the way for broader adoption of INR models for generative modeling tasks in complex domains. The code is available at https://github.com/Rajhans0/Poly_INR

In an effort to understand the meaning of the intermediate representations captured by deep networks, recent papers have tried to associate specific semantic concepts to individual neural network filter responses, where interesting correlations are often found, largely by focusing on extremal filter responses. In this paper, we show that this approach can favor easy-to-interpret cases that are not necessarily representative of the average behavior of a representation. A more realistic but harder-to-study hypothesis is that semantic representations are distributed, and thus filters must be studied in conjunction. In order to investigate this idea while enabling systematic visualization and quantification of multiple filter responses, we introduce the Net2Vec framework, in which semantic concepts are mapped to vectorial embeddings based on corresponding filter responses. By studying such embeddings, we are able to show that 1., in most cases, multiple filters are required to code for a concept, that 2., often filters are not concept specific and help encode multiple concepts, and that 3., compared to single filter activations, filter embeddings are able to better characterize the meaning of a representation and its relationship to other concepts.

Recent progress has been made towards learning invariant or equivariant representations with self-supervised learning. While invariant methods are evaluated on large scale datasets, equivariant ones are evaluated in smaller, more controlled, settings. We aim at bridging the gap between the two in order to learn more diverse representations that are suitable for a wide range of tasks. We start by introducing a dataset called 3DIEBench, consisting of renderings from 3D models over 55 classes and more than 2.5 million images where we have full control on the transformations applied to the objects. We further introduce a predictor architecture based on hypernetworks to learn equivariant representations with no possible collapse to invariance. We introduce SIE (Split Invariant-Equivariant) which combines the hypernetwork-based predictor with representations split in two parts, one invariant, the other equivariant, to learn richer representations. We demonstrate significant performance gains over existing methods on equivariance related tasks from both a qualitative and quantitative point of view. We further analyze our introduced predictor and show how it steers the learned latent space. We hope that both our introduced dataset and approach will enable learning richer representations without supervision in more complex scenarios. Code and data are available at https://github.com/facebookresearch/SIE.

We introduce a new neural architecture to learn the conditional probability of an output sequence with elements that are discrete tokens corresponding to positions in an input sequence. Such problems cannot be trivially addressed by existent approaches such as sequence-to-sequence and Neural Turing Machines, because the number of target classes in each step of the output depends on the length of the input, which is variable. Problems such as sorting variable sized sequences, and various combinatorial optimization problems belong to this class. Our model solves the problem of variable size output dictionaries using a recently proposed mechanism of neural attention. It differs from the previous attention attempts in that, instead of using attention to blend hidden units of an encoder to a context vector at each decoder step, it uses attention as a pointer to select a member of the input sequence as the output. We call this architecture a Pointer Net (Ptr-Net). We show Ptr-Nets can be used to learn approximate solutions to three challenging geometric problems -- finding planar convex hulls, computing Delaunay triangulations, and the planar Travelling Salesman Problem -- using training examples alone. Ptr-Nets not only improve over sequence-to-sequence with input attention, but also allow us to generalize to variable size output dictionaries. We show that the learnt models generalize beyond the maximum lengths they were trained on. We hope our results on these tasks will encourage a broader exploration of neural learning for discrete problems.

Vector space word representations are learned from distributional information of words in large corpora. Although such statistics are semantically informative, they disregard the valuable information that is contained in semantic lexicons such as WordNet, FrameNet, and the Paraphrase Database. This paper proposes a method for refining vector space representations using relational information from semantic lexicons by encouraging linked words to have similar vector representations, and it makes no assumptions about how the input vectors were constructed. Evaluated on a battery of standard lexical semantic evaluation tasks in several languages, we obtain substantial improvements starting with a variety of word vector models. Our refinement method outperforms prior techniques for incorporating semantic lexicons into the word vector training algorithms.

Autoencoders are a popular model in many branches of machine learning and lossy data compression. However, their fundamental limits, the performance of gradient methods and the features learnt during optimization remain poorly understood, even in the two-layer setting. In fact, earlier work has considered either linear autoencoders or specific training regimes (leading to vanishing or diverging compression rates). Our paper addresses this gap by focusing on non-linear two-layer autoencoders trained in the challenging proportional regime in which the input dimension scales linearly with the size of the representation. Our results characterize the minimizers of the population risk, and show that such minimizers are achieved by gradient methods; their structure is also unveiled, thus leading to a concise description of the features obtained via training. For the special case of a sign activation function, our analysis establishes the fundamental limits for the lossy compression of Gaussian sources via (shallow) autoencoders. Finally, while the results are proved for Gaussian data, numerical simulations on standard datasets display the universality of the theoretical predictions.

To leverage the copious amount of data from source tasks and overcome the scarcity of the target task samples, representation learning based on multi-task pretraining has become a standard approach in many applications. However, up until now, most existing works design a source task selection strategy from a purely empirical perspective. Recently, chen2022active gave the first active multi-task representation learning (A-MTRL) algorithm which adaptively samples from source tasks and can provably reduce the total sample complexity using the L2-regularized-target-source-relevance parameter nu^2. But their work is theoretically suboptimal in terms of total source sample complexity and is less practical in some real-world scenarios where sparse training source task selection is desired. In this paper, we address both issues. Specifically, we show the strict dominance of the L1-regularized-relevance-based (nu^1-based) strategy by giving a lower bound for the nu^2-based strategy. When nu^1 is unknown, we propose a practical algorithm that uses the LASSO program to estimate nu^1. Our algorithm successfully recovers the optimal result in the known case. In addition to our sample complexity results, we also characterize the potential of our nu^1-based strategy in sample-cost-sensitive settings. Finally, we provide experiments on real-world computer vision datasets to illustrate the effectiveness of our proposed method.

Siamese networks have become a common structure in various recent models for unsupervised visual representation learning. These models maximize the similarity between two augmentations of one image, subject to certain conditions for avoiding collapsing solutions. In this paper, we report surprising empirical results that simple Siamese networks can learn meaningful representations even using none of the following: (i) negative sample pairs, (ii) large batches, (iii) momentum encoders. Our experiments show that collapsing solutions do exist for the loss and structure, but a stop-gradient operation plays an essential role in preventing collapsing. We provide a hypothesis on the implication of stop-gradient, and further show proof-of-concept experiments verifying it. Our "SimSiam" method achieves competitive results on ImageNet and downstream tasks. We hope this simple baseline will motivate people to rethink the roles of Siamese architectures for unsupervised representation learning. Code will be made available.

Image representations, from SIFT and Bag of Visual Words to Convolutional Neural Networks (CNNs), are a crucial component of almost any image understanding system. Nevertheless, our understanding of them remains limited. In this paper we conduct a direct analysis of the visual information contained in representations by asking the following question: given an encoding of an image, to which extent is it possible to reconstruct the image itself? To answer this question we contribute a general framework to invert representations. We show that this method can invert representations such as HOG and SIFT more accurately than recent alternatives while being applicable to CNNs too. We then use this technique to study the inverse of recent state-of-the-art CNN image representations for the first time. Among our findings, we show that several layers in CNNs retain photographically accurate information about the image, with different degrees of geometric and photometric invariance.

Understanding Transformer-based models has attracted significant attention, as they lie at the heart of recent technological advances across machine learning. While most interpretability methods rely on running models over inputs, recent work has shown that a zero-pass approach, where parameters are interpreted directly without a forward/backward pass is feasible for some Transformer parameters, and for two-layer attention networks. In this work, we present a theoretical analysis where all parameters of a trained Transformer are interpreted by projecting them into the embedding space, that is, the space of vocabulary items they operate on. We derive a simple theoretical framework to support our arguments and provide ample evidence for its validity. First, an empirical analysis showing that parameters of both pretrained and fine-tuned models can be interpreted in embedding space. Second, we present two applications of our framework: (a) aligning the parameters of different models that share a vocabulary, and (b) constructing a classifier without training by ``translating'' the parameters of a fine-tuned classifier to parameters of a different model that was only pretrained. Overall, our findings open the door to interpretation methods that, at least in part, abstract away from model specifics and operate in the embedding space only.

A plethora of sentence embedding models makes it challenging to choose one, especially for domains such as telecom, rich with specialized vocabulary. We evaluate multiple embeddings obtained from publicly available models and their domain-adapted variants, on both point retrieval accuracies as well as their (95\%) confidence intervals. We establish a systematic method to obtain thresholds for similarity scores for different embeddings. We observe that fine-tuning improves mean bootstrapped accuracies as well as tightens confidence intervals. The pre-training combined with fine-tuning makes confidence intervals even tighter. To understand these variations, we analyse and report significant correlations between the distributional overlap between top-K, correct and random sentence similarities with retrieval accuracies and similarity thresholds. Following current literature, we analyze if retrieval accuracy variations can be attributed to isotropy of embeddings. Our conclusions are that isotropy of embeddings (as measured by two independent state-of-the-art isotropy metric definitions) cannot be attributed to better retrieval performance. However, domain adaptation which improves retrieval accuracies also improves isotropy. We establish that domain adaptation moves domain specific embeddings further away from general domain embeddings.

Informally, the 'linear representation hypothesis' is the idea that high-level concepts are represented linearly as directions in some representation space. In this paper, we address two closely related questions: What does "linear representation" actually mean? And, how do we make sense of geometric notions (e.g., cosine similarity or projection) in the representation space? To answer these, we use the language of counterfactuals to give two formalizations of "linear representation", one in the output (word) representation space, and one in the input (sentence) space. We then prove these connect to linear probing and model steering, respectively. To make sense of geometric notions, we use the formalization to identify a particular (non-Euclidean) inner product that respects language structure in a sense we make precise. Using this causal inner product, we show how to unify all notions of linear representation. In particular, this allows the construction of probes and steering vectors using counterfactual pairs. Experiments with LLaMA-2 demonstrate the existence of linear representations of concepts, the connection to interpretation and control, and the fundamental role of the choice of inner product.

Representation learning promises to unlock deep learning for the long tail of vision tasks without expensive labelled datasets. Yet, the absence of a unified evaluation for general visual representations hinders progress. Popular protocols are often too constrained (linear classification), limited in diversity (ImageNet, CIFAR, Pascal-VOC), or only weakly related to representation quality (ELBO, reconstruction error). We present the Visual Task Adaptation Benchmark (VTAB), which defines good representations as those that adapt to diverse, unseen tasks with few examples. With VTAB, we conduct a large-scale study of many popular publicly-available representation learning algorithms. We carefully control confounders such as architecture and tuning budget. We address questions like: How effective are ImageNet representations beyond standard natural datasets? How do representations trained via generative and discriminative models compare? To what extent can self-supervision replace labels? And, how close are we to general visual representations?

This book is the result of a seminar in which we reviewed multimodal approaches and attempted to create a solid overview of the field, starting with the current state-of-the-art approaches in the two subfields of Deep Learning individually. Further, modeling frameworks are discussed where one modality is transformed into the other, as well as models in which one modality is utilized to enhance representation learning for the other. To conclude the second part, architectures with a focus on handling both modalities simultaneously are introduced. Finally, we also cover other modalities as well as general-purpose multi-modal models, which are able to handle different tasks on different modalities within one unified architecture. One interesting application (Generative Art) eventually caps off this booklet.

Can we model non-Euclidean graphs as pure language or even Euclidean vectors while retaining their inherent information? The non-Euclidean property have posed a long term challenge in graph modeling. Despite recent GNN and Graphformer efforts encoding graphs as Euclidean vectors, recovering original graph from the vectors remains a challenge. We introduce GraphsGPT, featuring a Graph2Seq encoder that transforms non-Euclidean graphs into learnable graph words in a Euclidean space, along with a GraphGPT decoder that reconstructs the original graph from graph words to ensure information equivalence. We pretrain GraphsGPT on 100M molecules and yield some interesting findings: (1) Pretrained Graph2Seq excels in graph representation learning, achieving state-of-the-art results on 8/9 graph classification and regression tasks. (2) Pretrained GraphGPT serves as a strong graph generator, demonstrated by its ability to perform both unconditional and conditional graph generation. (3) Graph2Seq+GraphGPT enables effective graph mixup in the Euclidean space, overcoming previously known non-Euclidean challenge. (4) Our proposed novel edge-centric GPT pretraining task is effective in graph fields, underscoring its success in both representation and generation.

Unsupervised learning of probabilistic models is a central yet challenging problem in machine learning. Specifically, designing models with tractable learning, sampling, inference and evaluation is crucial in solving this task. We extend the space of such models using real-valued non-volume preserving (real NVP) transformations, a set of powerful invertible and learnable transformations, resulting in an unsupervised learning algorithm with exact log-likelihood computation, exact sampling, exact inference of latent variables, and an interpretable latent space. We demonstrate its ability to model natural images on four datasets through sampling, log-likelihood evaluation and latent variable manipulations.

Image-text multimodal representation learning aligns data across modalities and enables important medical applications, e.g., image classification, visual grounding, and cross-modal retrieval. In this work, we establish a connection between multimodal representation learning and multiple instance learning. Based on this connection, we propose a generic framework for constructing permutation-invariant score functions with many existing multimodal representation learning approaches as special cases. Furthermore, we use the framework to derive a novel contrastive learning approach and demonstrate that our method achieves state-of-the-art results in several downstream tasks.

Tabular representation learning has recently gained a lot of attention. However, existing approaches only learn a representation from a single table, and thus ignore the potential to learn from the full structure of relational databases, including neighboring tables that can contain important information for a contextualized representation. Moreover, current models are significantly limited in scale, which prevents that they learn from large databases. In this paper, we thus introduce our vision of relational representation learning, that can not only learn from the full relational structure, but also can scale to larger database sizes that are commonly found in real-world. Moreover, we also discuss opportunities and challenges we see along the way to enable this vision and present initial very promising results. Overall, we argue that this direction can lead to foundation models for relational databases that are today only available for text and images.

Self-supervised speech representations have been shown to be effective in a variety of speech applications. However, existing representation learning methods generally rely on the autoregressive model and/or observed global dependencies while generating the representation. In this work, we propose Non-Autoregressive Predictive Coding (NPC), a self-supervised method, to learn a speech representation in a non-autoregressive manner by relying only on local dependencies of speech. NPC has a conceptually simple objective and can be implemented easily with the introduced Masked Convolution Blocks. NPC offers a significant speedup for inference since it is parallelizable in time and has a fixed inference time for each time step regardless of the input sequence length. We discuss and verify the effectiveness of NPC by theoretically and empirically comparing it with other methods. We show that the NPC representation is comparable to other methods in speech experiments on phonetic and speaker classification while being more efficient.

This book develops an effective theory approach to understanding deep neural networks of practical relevance. Beginning from a first-principles component-level picture of networks, we explain how to determine an accurate description of the output of trained networks by solving layer-to-layer iteration equations and nonlinear learning dynamics. A main result is that the predictions of networks are described by nearly-Gaussian distributions, with the depth-to-width aspect ratio of the network controlling the deviations from the infinite-width Gaussian description. We explain how these effectively-deep networks learn nontrivial representations from training and more broadly analyze the mechanism of representation learning for nonlinear models. From a nearly-kernel-methods perspective, we find that the dependence of such models' predictions on the underlying learning algorithm can be expressed in a simple and universal way. To obtain these results, we develop the notion of representation group flow (RG flow) to characterize the propagation of signals through the network. By tuning networks to criticality, we give a practical solution to the exploding and vanishing gradient problem. We further explain how RG flow leads to near-universal behavior and lets us categorize networks built from different activation functions into universality classes. Altogether, we show that the depth-to-width ratio governs the effective model complexity of the ensemble of trained networks. By using information-theoretic techniques, we estimate the optimal aspect ratio at which we expect the network to be practically most useful and show how residual connections can be used to push this scale to arbitrary depths. With these tools, we can learn in detail about the inductive bias of architectures, hyperparameters, and optimizers.

Representation learning, and interpreting learned representations, are key areas of focus in machine learning and neuroscience. Both fields generally use representations as a means to understand or improve a system's computations. In this work, however, we explore surprising dissociations between representation and computation that may pose challenges for such efforts. We create datasets in which we attempt to match the computational role that different features play, while manipulating other properties of the features or the data. We train various deep learning architectures to compute these multiple abstract features about their inputs. We find that their learned feature representations are systematically biased towards representing some features more strongly than others, depending upon extraneous properties such as feature complexity, the order in which features are learned, and the distribution of features over the inputs. For example, features that are simpler to compute or learned first tend to be represented more strongly and densely than features that are more complex or learned later, even if all features are learned equally well. We also explore how these biases are affected by architectures, optimizers, and training regimes (e.g., in transformers, features decoded earlier in the output sequence also tend to be represented more strongly). Our results help to characterize the inductive biases of gradient-based representation learning. These results also highlight a key challenge for interpretability - or for comparing the representations of models and brains - disentangling extraneous biases from the computationally important aspects of a system's internal representations.

Hyperbolic embeddings offer excellent quality with few dimensions when embedding hierarchical data structures like synonym or type hierarchies. Given a tree, we give a combinatorial construction that embeds the tree in hyperbolic space with arbitrarily low distortion without using optimization. On WordNet, our combinatorial embedding obtains a mean-average-precision of 0.989 with only two dimensions, while Nickel et al.'s recent construction obtains 0.87 using 200 dimensions. We provide upper and lower bounds that allow us to characterize the precision-dimensionality tradeoff inherent in any hyperbolic embedding. To embed general metric spaces, we propose a hyperbolic generalization of multidimensional scaling (h-MDS). We show how to perform exact recovery of hyperbolic points from distances, provide a perturbation analysis, and give a recovery result that allows us to reduce dimensionality. The h-MDS approach offers consistently low distortion even with few dimensions across several datasets. Finally, we extract lessons from the algorithms and theory above to design a PyTorch-based implementation that can handle incomplete information and is scalable.

We study the ability of foundation models to learn representations for classification that are transferable to new, unseen classes. Recent results in the literature show that representations learned by a single classifier over many classes are competitive on few-shot learning problems with representations learned by special-purpose algorithms designed for such problems. In this paper we provide an explanation for this behavior based on the recently observed phenomenon that the features learned by overparameterized classification networks show an interesting clustering property, called neural collapse. We demonstrate both theoretically and empirically that neural collapse generalizes to new samples from the training classes, and -- more importantly -- to new classes as well, allowing foundation models to provide feature maps that work well in transfer learning and, specifically, in the few-shot setting.

Representational analysis explores how input data of a neural system are encoded in high dimensional spaces of its distributed neural activations, and how we can compare different systems, for instance, artificial neural networks and brains, on those grounds. While existing methods offer important insights, they typically do not account for local intrinsic geometrical properties within the high-dimensional representation spaces. To go beyond these limitations, we explore Ollivier-Ricci curvature and Ricci flow as tools to study the alignment of representations between humans and artificial neural systems on a geometric level. As a proof-of-principle study, we compared the representations of face stimuli between VGG-Face, a human-aligned version of VGG-Face, and corresponding human similarity judgments from a large online study. Using this discrete geometric framework, we were able to identify local structural similarities and differences by examining the distributions of node and edge curvature and higher-level properties by detecting and comparing community structure in the representational graphs.

This paper does not introduce a novel method. Instead, it offers a fairer and more comprehensive comparison of KAN and MLP models across various tasks, including machine learning, computer vision, audio processing, natural language processing, and symbolic formula representation. Specifically, we control the number of parameters and FLOPs to compare the performance of KAN and MLP. Our main observation is that, except for symbolic formula representation tasks, MLP generally outperforms KAN. We also conduct ablation studies on KAN and find that its advantage in symbolic formula representation mainly stems from its B-spline activation function. When B-spline is applied to MLP, performance in symbolic formula representation significantly improves, surpassing or matching that of KAN. However, in other tasks where MLP already excels over KAN, B-spline does not substantially enhance MLP's performance. Furthermore, we find that KAN's forgetting issue is more severe than that of MLP in a standard class-incremental continual learning setting, which differs from the findings reported in the KAN paper. We hope these results provide insights for future research on KAN and other MLP alternatives. Project link: https://github.com/yu-rp/KANbeFair

We present Semantify: a self-supervised method that utilizes the semantic power of CLIP language-vision foundation model to simplify the control of 3D morphable models. Given a parametric model, training data is created by randomly sampling the model's parameters, creating various shapes and rendering them. The similarity between the output images and a set of word descriptors is calculated in CLIP's latent space. Our key idea is first to choose a small set of semantically meaningful and disentangled descriptors that characterize the 3DMM, and then learn a non-linear mapping from scores across this set to the parametric coefficients of the given 3DMM. The non-linear mapping is defined by training a neural network without a human-in-the-loop. We present results on numerous 3DMMs: body shape models, face shape and expression models, as well as animal shapes. We demonstrate how our method defines a simple slider interface for intuitive modeling, and show how the mapping can be used to instantly fit a 3D parametric body shape to in-the-wild images.

Understanding how semantic meaning is encoded in the representation spaces of large language models is a fundamental problem in interpretability. In this paper, we study the two foundational questions in this area. First, how are categorical concepts, such as {'mammal', 'bird', 'reptile', 'fish'}, represented? Second, how are hierarchical relations between concepts encoded? For example, how is the fact that 'dog' is a kind of 'mammal' encoded? We show how to extend the linear representation hypothesis to answer these questions. We find a remarkably simple structure: simple categorical concepts are represented as simplices, hierarchically related concepts are orthogonal in a sense we make precise, and (in consequence) complex concepts are represented as polytopes constructed from direct sums of simplices, reflecting the hierarchical structure. We validate these theoretical results on the Gemma large language model, estimating representations for 957 hierarchically related concepts using data from WordNet.

Expanding on neural operators, we propose a novel framework for stochastic process learning across arbitrary domains. In particular, we develop operator flow matching (OFM) for learning stochastic process priors on function spaces. OFM provides the probability density of the values of any collection of points and enables mathematically tractable functional regression at new points with mean and density estimation. Our method outperforms state-of-the-art models in stochastic process learning, functional regression, and prior learning.

The behavior of neural networks still remains opaque, and a recently widely noted phenomenon is that networks often achieve similar performance when initialized with different random parameters. This phenomenon has attracted significant attention in measuring the similarity between features learned by distinct networks. However, feature similarity could be vague in describing the same feature since equivalent features hardly exist. In this paper, we expand the concept of equivalent feature and provide the definition of what we call functionally equivalent features. These features produce equivalent output under certain transformations. Using this definition, we aim to derive a more intrinsic metric for the so-called feature complexity regarding the redundancy of features learned by a neural network at each layer. We offer a formal interpretation of our approach through the lens of category theory, a well-developed area in mathematics. To quantify the feature complexity, we further propose an efficient algorithm named Iterative Feature Merging. Our experimental results validate our ideas and theories from various perspectives. We empirically demonstrate that the functionally equivalence widely exists among different features learned by the same neural network and we could reduce the number of parameters of the network without affecting the performance.The IFM shows great potential as a data-agnostic model prune method. We have also drawn several interesting empirical findings regarding the defined feature complexity.

Despite their widespread success, the application of deep neural networks to functional data remains scarce today. The infinite dimensionality of functional data means standard learning algorithms can be applied only after appropriate dimension reduction, typically achieved via basis expansions. Currently, these bases are chosen a priori without the information for the task at hand and thus may not be effective for the designated task. We instead propose to adaptively learn these bases in an end-to-end fashion. We introduce neural networks that employ a new Basis Layer whose hidden units are each basis functions themselves implemented as a micro neural network. Our architecture learns to apply parsimonious dimension reduction to functional inputs that focuses only on information relevant to the target rather than irrelevant variation in the input function. Across numerous classification/regression tasks with functional data, our method empirically outperforms other types of neural networks, and we prove that our approach is statistically consistent with low generalization error. Code is available at: https://github.com/jwyyy/AdaFNN.

We provide a construction for categorical representation learning and introduce the foundations of "categorifier". The central theme in representation learning is the idea of everything to vector. Every object in a dataset S can be represented as a vector in R^n by an encoding map E: Obj(S)toR^n. More importantly, every morphism can be represented as a matrix E: Hom(S)toR^{n}_{n}. The encoding map E is generally modeled by a deep neural network. The goal of representation learning is to design appropriate tasks on the dataset to train the encoding map (assuming that an encoding is optimal if it universally optimizes the performance on various tasks). However, the latter is still a set-theoretic approach. The goal of the current article is to promote the representation learning to a new level via a category-theoretic approach. As a proof of concept, we provide an example of a text translator equipped with our technology, showing that our categorical learning model outperforms the current deep learning models by 17 times. The content of the current article is part of the recent US patent proposal (patent application number: 63110906).

Autoregressive decoding is the only part of sequence-to-sequence models that prevents them from massive parallelization at inference time. Non-autoregressive models enable the decoder to generate all output symbols independently in parallel. We present a novel non-autoregressive architecture based on connectionist temporal classification and evaluate it on the task of neural machine translation. Unlike other non-autoregressive methods which operate in several steps, our model can be trained end-to-end. We conduct experiments on the WMT English-Romanian and English-German datasets. Our models achieve a significant speedup over the autoregressive models, keeping the translation quality comparable to other non-autoregressive models.

Distributional word representation methods exploit word co-occurrences to build compact vector encodings of words. While these representations enjoy widespread use in modern natural language processing, it is unclear whether they accurately encode all necessary facets of conceptual meaning. In this paper, we evaluate how well these representations can predict perceptual and conceptual features of concrete concepts, drawing on two semantic norm datasets sourced from human participants. We find that several standard word representations fail to encode many salient perceptual features of concepts, and show that these deficits correlate with word-word similarity prediction errors. Our analyses provide motivation for grounded and embodied language learning approaches, which may help to remedy these deficits.

While the problem of hallucinations in neural machine translation has long been recognized, so far the progress on its alleviation is very little. Indeed, recently it turned out that without artificially encouraging models to hallucinate, previously existing methods fall short and even the standard sequence log-probability is more informative. It means that characteristics internal to the model can give much more information than we expect, and before using external models and measures, we first need to ask: how far can we go if we use nothing but the translation model itself ? We propose to use a method that evaluates the percentage of the source contribution to a generated translation. Intuitively, hallucinations are translations "detached" from the source, hence they can be identified by low source contribution. This method improves detection accuracy for the most severe hallucinations by a factor of 2 and is able to alleviate hallucinations at test time on par with the previous best approach that relies on external models. Next, if we move away from internal model characteristics and allow external tools, we show that using sentence similarity from cross-lingual embeddings further improves these results.

From extracting features to generating text, the outputs of large language models (LLMs) typically rely on their final layers, following the conventional wisdom that earlier layers capture only low-level cues. However, our analysis shows that intermediate layers can encode even richer representations, often improving performance on a wide range of downstream tasks. To explain and quantify these hidden-layer properties, we propose a unified framework of representation quality metrics based on information theory, geometry, and invariance to input perturbations. Our framework highlights how each model layer balances information compression and signal preservation, revealing why mid-depth embeddings can exceed the last layer's performance. Through extensive experiments on 32 text-embedding tasks and comparisons across model architectures (transformers, state-space models) and domains (language, vision), we demonstrate that intermediate layers consistently provide stronger features. These findings challenge the standard focus on final-layer embeddings and open new directions for model analysis and optimization, including strategic use of mid-layer representations for more robust and accurate AI systems.

Contrastive learning has become pivotal in unsupervised representation learning, with frameworks like Momentum Contrast (MoCo) effectively utilizing large negative sample sets to extract discriminative features. However, traditional approaches often overlook the full potential of key embeddings and are susceptible to performance degradation from noisy negative samples in the memory bank. This study addresses these challenges by proposing an enhanced contrastive learning framework that incorporates two key innovations. First, we introduce a dual-view loss function, which ensures balanced optimization of both query and key embeddings, improving representation quality. Second, we develop a selective negative sampling strategy that emphasizes the most challenging negatives based on cosine similarity, mitigating the impact of noise and enhancing feature discrimination. Extensive experiments demonstrate that our framework achieves superior performance on downstream tasks, delivering robust and well-structured representations. These results highlight the potential of optimized contrastive mechanisms to advance unsupervised learning and extend its applicability across domains such as computer vision and natural language processing

Recent works have demonstrated reasonable success of representation learning in hypercomplex space. Specifically, "fully-connected layers with Quaternions" (4D hypercomplex numbers), which replace real-valued matrix multiplications in fully-connected layers with Hamilton products of Quaternions, both enjoy parameter savings with only 1/4 learnable parameters and achieve comparable performance in various applications. However, one key caveat is that hypercomplex space only exists at very few predefined dimensions (4D, 8D, and 16D). This restricts the flexibility of models that leverage hypercomplex multiplications. To this end, we propose parameterizing hypercomplex multiplications, allowing models to learn multiplication rules from data regardless of whether such rules are predefined. As a result, our method not only subsumes the Hamilton product, but also learns to operate on any arbitrary nD hypercomplex space, providing more architectural flexibility using arbitrarily 1/n learnable parameters compared with the fully-connected layer counterpart. Experiments of applications to the LSTM and Transformer models on natural language inference, machine translation, text style transfer, and subject verb agreement demonstrate architectural flexibility and effectiveness of the proposed approach.

Deep neural networks (DNNs) are often used for text classification tasks as they usually achieve high levels of accuracy. However, DNNs can be computationally intensive with billions of parameters and large amounts of labeled data, which can make them expensive to use, to optimize and to transfer to out-of-distribution (OOD) cases in practice. In this paper, we propose a non-parametric alternative to DNNs that's easy, light-weight and universal in text classification: a combination of a simple compressor like gzip with a k-nearest-neighbor classifier. Without any training, pre-training or fine-tuning, our method achieves results that are competitive with non-pretrained deep learning methods on six in-distributed datasets. It even outperforms BERT on all five OOD datasets, including four low-resource languages. Our method also performs particularly well in few-shot settings where labeled data are too scarce for DNNs to achieve a satisfying accuracy.

Recently, Visual Autoregressive (VAR) Models introduced a groundbreaking advancement in the field of image generation, offering a scalable approach through a coarse-to-fine "next-scale prediction" paradigm. However, the state-of-the-art algorithm of VAR models in [Tian, Jiang, Yuan, Peng and Wang, NeurIPS 2024] takes O(n^4) time, which is computationally inefficient. In this work, we analyze the computational limits and efficiency criteria of VAR Models through a fine-grained complexity lens. Our key contribution is identifying the conditions under which VAR computations can achieve sub-quadratic time complexity. Specifically, we establish a critical threshold for the norm of input matrices used in VAR attention mechanisms. Above this threshold, assuming the Strong Exponential Time Hypothesis (SETH) from fine-grained complexity theory, a sub-quartic time algorithm for VAR models is impossible. To substantiate our theoretical findings, we present efficient constructions leveraging low-rank approximations that align with the derived criteria. This work initiates the study of the computational efficiency of the VAR model from a theoretical perspective. Our technique will shed light on advancing scalable and efficient image generation in VAR frameworks.

Current work on human-machine alignment aims at understanding machine-learned latent spaces and their correspondence to human representations. G{\"a}rdenfors' conceptual spaces is a prominent framework for understanding human representations. Convexity of object regions in conceptual spaces is argued to promote generalizability, few-shot learning, and interpersonal alignment. Based on these insights, we investigate the notion of convexity of concept regions in machine-learned latent spaces. We develop a set of tools for measuring convexity in sampled data and evaluate emergent convexity in layered representations of state-of-the-art deep networks. We show that convexity is robust to basic re-parametrization and, hence, meaningful as a quality of machine-learned latent spaces. We find that approximate convexity is pervasive in neural representations in multiple application domains, including models of images, audio, human activity, text, and medical images. Generally, we observe that fine-tuning increases the convexity of label regions. We find evidence that pretraining convexity of class label regions predicts subsequent fine-tuning performance.

We investigate the relationship between the geometry of token embeddings and their role in the next token prediction within transformer models. An important aspect of this connection uses the notion of empirical measure, which encodes the distribution of token point clouds across transformer layers and drives the evolution of token representations in the mean-field interacting picture. We use metrics such as intrinsic dimension, neighborhood overlap, and cosine similarity to observationally probe these empirical measures across layers. To validate our approach, we compare these metrics to a dataset where the tokens are shuffled, which disrupts the syntactic and semantic structure. Our findings reveal a correlation between the geometric properties of token embeddings and the cross-entropy loss of next token predictions, implying that prompts with higher loss values have tokens represented in higher-dimensional spaces.

Modelling compositionality has been a longstanding area of research in the field of vector space semantics. The categorical approach to compositionality maps grammar onto vector spaces in a principled way, but comes under fire for requiring the formation of very high-dimensional matrices and tensors, and therefore being computationally infeasible. In this paper I show how a linear simplification of recursive neural tensor network models can be mapped directly onto the categorical approach, giving a way of computing the required matrices and tensors. This mapping suggests a number of lines of research for both categorical compositional vector space models of meaning and for recursive neural network models of compositionality.

In this work, we aim to connect two research areas: instruction models and retrieval-based models. While instruction-tuned Large Language Models (LLMs) excel at extracting information from text, they are not suitable for semantic retrieval. Similarity search over embedding vectors allows to index and query vectors, but the similarity reflected in the embedding is sub-optimal for many use cases. We identify the task of retrieving sentences based on abstract descriptions of their content. We demonstrate the inadequacy of current text embeddings and propose an alternative model that significantly improves when used in standard nearest neighbor search. The model is trained using positive and negative pairs sourced through prompting an a large language model (LLM). While it is easy to source the training material from an LLM, the retrieval task cannot be performed by the LLM directly. This demonstrates that data from LLMs can be used not only for distilling more efficient specialized models than the original LLM, but also for creating new capabilities not immediately possible using the original model.

We consider the problem of weakly supervised object detection, where the training samples are annotated using only image-level labels that indicate the presence or absence of an object category. In order to model the uncertainty in the location of the objects, we employ a dissimilarity coefficient based probabilistic learning objective. The learning objective minimizes the difference between an annotation agnostic prediction distribution and an annotation aware conditional distribution. The main computational challenge is the complex nature of the conditional distribution, which consists of terms over hundreds or thousands of variables. The complexity of the conditional distribution rules out the possibility of explicitly modeling it. Instead, we exploit the fact that deep learning frameworks rely on stochastic optimization. This allows us to use a state of the art discrete generative model that can provide annotation consistent samples from the conditional distribution. Extensive experiments on PASCAL VOC 2007 and 2012 data sets demonstrate the efficacy of our proposed approach.

Recent developments in representational learning for information retrieval can be organized in a conceptual framework that establishes two pairs of contrasts: sparse vs. dense representations and unsupervised vs. learned representations. Sparse learned representations can further be decomposed into expansion and term weighting components. This framework allows us to understand the relationship between recently proposed techniques such as DPR, ANCE, DeepCT, DeepImpact, and COIL, and furthermore, gaps revealed by our analysis point to "low hanging fruit" in terms of techniques that have yet to be explored. We present a novel technique dubbed "uniCOIL", a simple extension of COIL that achieves to our knowledge the current state-of-the-art in sparse retrieval on the popular MS MARCO passage ranking dataset. Our implementation using the Anserini IR toolkit is built on the Lucene search library and thus fully compatible with standard inverted indexes.

The rapid rise of large language models (LLMs) has unlocked many applications but also underscores the challenge of aligning them with diverse values and preferences. Direct Preference Optimization (DPO) is central to alignment but constrained by fixed divergences and limited feature transformations. We propose DPO-Kernels, which integrates kernel methods to address these issues through four key contributions: (i) Kernelized Representations with polynomial, RBF, Mahalanobis, and spectral kernels for richer transformations, plus a hybrid loss combining embedding-based and probability-based objectives; (ii) Divergence Alternatives (Jensen-Shannon, Hellinger, Renyi, Bhattacharyya, Wasserstein, and f-divergences) for greater stability; (iii) Data-Driven Selection metrics that automatically choose the best kernel-divergence pair; and (iv) a Hierarchical Mixture of Kernels for both local precision and global modeling. Evaluations on 12 datasets demonstrate state-of-the-art performance in factuality, safety, reasoning, and instruction following. Grounded in Heavy-Tailed Self-Regularization, DPO-Kernels maintains robust generalization for LLMs, offering a comprehensive resource for further alignment research.

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.

Visual retrieval systems face significant challenges when updating models with improved representations due to misalignment between the old and new representations. The costly and resource-intensive backfilling process involves recalculating feature vectors for images in the gallery set whenever a new model is introduced. To address this, prior research has explored backward-compatible training methods that enable direct comparisons between new and old representations without backfilling. Despite these advancements, achieving a balance between backward compatibility and the performance of independently trained models remains an open problem. In this paper, we address it by expanding the representation space with additional dimensions and learning an orthogonal transformation to achieve compatibility with old models and, at the same time, integrate new information. This transformation preserves the original feature space's geometry, ensuring that our model aligns with previous versions while also learning new data. Our Orthogonal Compatible Aligned (OCA) approach eliminates the need for re-indexing during model updates and ensures that features can be compared directly across different model updates without additional mapping functions. Experimental results on CIFAR-100 and ImageNet-1k demonstrate that our method not only maintains compatibility with previous models but also achieves state-of-the-art accuracy, outperforming several existing methods.

We introduce 3DShape2VecSet, a novel shape representation for neural fields designed for generative diffusion models. Our shape representation can encode 3D shapes given as surface models or point clouds, and represents them as neural fields. The concept of neural fields has previously been combined with a global latent vector, a regular grid of latent vectors, or an irregular grid of latent vectors. Our new representation encodes neural fields on top of a set of vectors. We draw from multiple concepts, such as the radial basis function representation and the cross attention and self-attention function, to design a learnable representation that is especially suitable for processing with transformers. Our results show improved performance in 3D shape encoding and 3D shape generative modeling tasks. We demonstrate a wide variety of generative applications: unconditioned generation, category-conditioned generation, text-conditioned generation, point-cloud completion, and image-conditioned generation.

Fine-grained steering of language model outputs is essential for safety and reliability. Prompting and finetuning are widely used to achieve these goals, but interpretability researchers have proposed a variety of representation-based techniques as well, including sparse autoencoders (SAEs), linear artificial tomography, supervised steering vectors, linear probes, and representation finetuning. At present, there is no benchmark for making direct comparisons between these proposals. Therefore, we introduce AxBench, a large-scale benchmark for steering and concept detection, and report experiments on Gemma-2-2B and 9B. For steering, we find that prompting outperforms all existing methods, followed by finetuning. For concept detection, representation-based methods such as difference-in-means, perform the best. On both evaluations, SAEs are not competitive. We introduce a novel weakly-supervised representational method (Rank-1 Representation Finetuning; ReFT-r1), which is competitive on both tasks while providing the interpretability advantages that prompting lacks. Along with AxBench, we train and publicly release SAE-scale feature dictionaries for ReFT-r1 and DiffMean.

We present Simplex Random Features (SimRFs), a new random feature (RF) mechanism for unbiased approximation of the softmax and Gaussian kernels by geometrical correlation of random projection vectors. We prove that SimRFs provide the smallest possible mean square error (MSE) on unbiased estimates of these kernels among the class of weight-independent geometrically-coupled positive random feature (PRF) mechanisms, substantially outperforming the previously most accurate Orthogonal Random Features at no observable extra cost. We present a more computationally expensive SimRFs+ variant, which we prove is asymptotically optimal in the broader family of weight-dependent geometrical coupling schemes (which permit correlations between random vector directions and norms). In extensive empirical studies, we show consistent gains provided by SimRFs in settings including pointwise kernel estimation, nonparametric classification and scalable Transformers.

Autoregressive modeling has been a huge success in the field of natural language processing (NLP). Recently, autoregressive models have emerged as a significant area of focus in computer vision, where they excel in producing high-quality visual content. Autoregressive models in NLP typically operate on subword tokens. However, the representation strategy in computer vision can vary in different levels, i.e., pixel-level, token-level, or scale-level, reflecting the diverse and hierarchical nature of visual data compared to the sequential structure of language. This survey comprehensively examines the literature on autoregressive models applied to vision. To improve readability for researchers from diverse research backgrounds, we start with preliminary sequence representation and modeling in vision. Next, we divide the fundamental frameworks of visual autoregressive models into three general sub-categories, including pixel-based, token-based, and scale-based models based on the strategy of representation. We then explore the interconnections between autoregressive models and other generative models. Furthermore, we present a multi-faceted categorization of autoregressive models in computer vision, including image generation, video generation, 3D generation, and multi-modal generation. We also elaborate on their applications in diverse domains, including emerging domains such as embodied AI and 3D medical AI, with about 250 related references. Finally, we highlight the current challenges to autoregressive models in vision with suggestions about potential research directions. We have also set up a Github repository to organize the papers included in this survey at: https://github.com/ChaofanTao/Autoregressive-Models-in-Vision-Survey.

In this work, we focus on a lightweight convolutional architecture that creates fixed-size vector embeddings of sentences. Such representations are useful for building NLP systems, including conversational agents. Our work derives from a recently proposed recursive convolutional architecture for auto-encoding text paragraphs at byte level. We propose alternations that significantly reduce training time, the number of parameters, and improve auto-encoding accuracy. Finally, we evaluate the representations created by our model on tasks from SentEval benchmark suite, and show that it can serve as a better, yet fairly low-resource alternative to popular bag-of-words embeddings.

Neural networks have a reputation for being better at solving statistical or approximate problems than at performing calculations or working with symbolic data. In this paper, we show that they can be surprisingly good at more elaborated tasks in mathematics, such as symbolic integration and solving differential equations. We propose a syntax for representing mathematical problems, and methods for generating large datasets that can be used to train sequence-to-sequence models. We achieve results that outperform commercial Computer Algebra Systems such as Matlab or Mathematica.

We prove a new upper bound on the generalization gap of classifiers that are obtained by first using self-supervision to learn a representation r of the training data, and then fitting a simple (e.g., linear) classifier g to the labels. Specifically, we show that (under the assumptions described below) the generalization gap of such classifiers tends to zero if C(g) ll n, where C(g) is an appropriately-defined measure of the simple classifier g's complexity, and n is the number of training samples. We stress that our bound is independent of the complexity of the representation r. We do not make any structural or conditional-independence assumptions on the representation-learning task, which can use the same training dataset that is later used for classification. Rather, we assume that the training procedure satisfies certain natural noise-robustness (adding small amount of label noise causes small degradation in performance) and rationality (getting the wrong label is not better than getting no label at all) conditions that widely hold across many standard architectures. We show that our bound is non-vacuous for many popular representation-learning based classifiers on CIFAR-10 and ImageNet, including SimCLR, AMDIM and MoCo.

Large pre-trained vision-language models have shown great prominence in transferring pre-acquired knowledge to various domains and downstream tasks with appropriate prompting or tuning. Existing prevalent tuning methods can be generally categorized into three genres: 1) prompt engineering by creating suitable prompt texts, which is time-consuming and requires domain expertise; 2) or simply fine-tuning the whole model, which is extremely inefficient; 3) prompt tuning through parameterized prompt embeddings with the text encoder. Nevertheless, all methods rely on the text encoder for bridging the modality gap between vision and language. In this work, we question the necessity of the cumbersome text encoder for a more lightweight and efficient tuning paradigm as well as more representative prompt embeddings closer to the image representations. To achieve this, we propose a Concept Embedding Search (ConES) approach by optimizing prompt embeddings -- without the need of the text encoder -- to capture the 'concept' of the image modality through a variety of task objectives. By dropping the text encoder, we are able to significantly speed up the learning process, \eg, from about an hour to just ten minutes in our experiments for personalized text-to-image generation without impairing the generation quality. Moreover, our proposed approach is orthogonal to current existing tuning methods since the searched concept embeddings can be further utilized in the next stage of fine-tuning the pre-trained large models for boosting performance. Extensive experiments show that our approach can beat the prompt tuning and textual inversion methods in a variety of downstream tasks including objection detection, instance segmentation, and image generation. Our approach also shows better generalization capability for unseen concepts in specialized domains, such as the medical domain.

We introduce a new approach to systematically map features discovered by sparse autoencoder across consecutive layers of large language models, extending earlier work that examined inter-layer feature links. By using a data-free cosine similarity technique, we trace how specific features persist, transform, or first appear at each stage. This method yields granular flow graphs of feature evolution, enabling fine-grained interpretability and mechanistic insights into model computations. Crucially, we demonstrate how these cross-layer feature maps facilitate direct steering of model behavior by amplifying or suppressing chosen features, achieving targeted thematic control in text generation. Together, our findings highlight the utility of a causal, cross-layer interpretability framework that not only clarifies how features develop through forward passes but also provides new means for transparent manipulation of large language models.

Deep learning has proven itself as a successful set of models for learning useful semantic representations of data. These, however, are mostly implicitly learned as part of a classification task. In this paper we propose the triplet network model, which aims to learn useful representations by distance comparisons. A similar model was defined by Wang et al. (2014), tailor made for learning a ranking for image information retrieval. Here we demonstrate using various datasets that our model learns a better representation than that of its immediate competitor, the Siamese network. We also discuss future possible usage as a framework for unsupervised learning.

We present a differentiable approach to learn the probabilistic factors used for inference by a nonparametric belief propagation algorithm. Existing nonparametric belief propagation methods rely on domain-specific features encoded in the probabilistic factors of a graphical model. In this work, we replace each crafted factor with a differentiable neural network enabling the factors to be learned using an efficient optimization routine from labeled data. By combining differentiable neural networks with an efficient belief propagation algorithm, our method learns to maintain a set of marginal posterior samples using end-to-end training. We evaluate our differentiable nonparametric belief propagation (DNBP) method on a set of articulated pose tracking tasks and compare performance with learned baselines. Results from these experiments demonstrate the effectiveness of using learned factors for tracking and suggest the practical advantage over hand-crafted approaches. The project webpage is available at: https://progress.eecs.umich.edu/projects/dnbp/ .

By classifying infinite-width neural networks and identifying the *optimal* limit, Tensor Programs IV and V demonstrated a universal way, called muP, for *widthwise hyperparameter transfer*, i.e., predicting optimal hyperparameters of wide neural networks from narrow ones. Here we investigate the analogous classification for *depthwise parametrizations* of deep residual networks (resnets). We classify depthwise parametrizations of block multiplier and learning rate by their infinite-width-then-depth limits. In resnets where each block has only one layer, we identify a unique optimal parametrization, called Depth-muP that extends muP and show empirically it admits depthwise hyperparameter transfer. We identify *feature diversity* as a crucial factor in deep networks, and Depth-muP can be characterized as maximizing both feature learning and feature diversity. Exploiting this, we find that absolute value, among all homogeneous nonlinearities, maximizes feature diversity and indeed empirically leads to significantly better performance. However, if each block is deeper (such as modern transformers), then we find fundamental limitations in all possible infinite-depth limits of such parametrizations, which we illustrate both theoretically and empirically on simple networks as well as Megatron transformer trained on Common Crawl.

The ability to control for the kinds of information encoded in neural representation has a variety of use cases, especially in light of the challenge of interpreting these models. We present Iterative Null-space Projection (INLP), a novel method for removing information from neural representations. Our method is based on repeated training of linear classifiers that predict a certain property we aim to remove, followed by projection of the representations on their null-space. By doing so, the classifiers become oblivious to that target property, making it hard to linearly separate the data according to it. While applicable for multiple uses, we evaluate our method on bias and fairness use-cases, and show that our method is able to mitigate bias in word embeddings, as well as to increase fairness in a setting of multi-class classification.

While score-based generative models (SGMs) have achieved remarkable success in enormous image generation tasks, their mathematical foundations are still limited. In this paper, we analyze the approximation and generalization of SGMs in learning a family of sub-Gaussian probability distributions. We introduce a notion of complexity for probability distributions in terms of their relative density with respect to the standard Gaussian measure. We prove that if the log-relative density can be locally approximated by a neural network whose parameters can be suitably bounded, then the distribution generated by empirical score matching approximates the target distribution in total variation with a dimension-independent rate. We illustrate our theory through examples, which include certain mixtures of Gaussians. An essential ingredient of our proof is to derive a dimension-free deep neural network approximation rate for the true score function associated with the forward process, which is interesting in its own right.

We define and investigate the problem of c-approximate window search: approximate nearest neighbor search where each point in the dataset has a numeric label, and the goal is to find nearest neighbors to queries within arbitrary label ranges. Many semantic search problems, such as image and document search with timestamp filters, or product search with cost filters, are natural examples of this problem. We propose and theoretically analyze a modular tree-based framework for transforming an index that solves the traditional c-approximate nearest neighbor problem into a data structure that solves window search. On standard nearest neighbor benchmark datasets equipped with random label values, adversarially constructed embeddings, and image search embeddings with real timestamps, we obtain up to a 75times speedup over existing solutions at the same level of recall.

Relative positional embeddings (RPE) have received considerable attention since RPEs effectively model the relative distance among tokens and enable length extrapolation. We propose KERPLE, a framework that generalizes relative position embedding for extrapolation by kernelizing positional differences. We achieve this goal using conditionally positive definite (CPD) kernels, a class of functions known for generalizing distance metrics. To maintain the inner product interpretation of self-attention, we show that a CPD kernel can be transformed into a PD kernel by adding a constant offset. This offset is implicitly absorbed in the Softmax normalization during self-attention. The diversity of CPD kernels allows us to derive various RPEs that enable length extrapolation in a principled way. Experiments demonstrate that the logarithmic variant achieves excellent extrapolation performance on three large language modeling datasets. Our implementation and pretrained checkpoints are released at https://github.com/chijames/KERPLE.git.

Recent works have argued that high-level semantic concepts are encoded "linearly" in the representation space of large language models. In this work, we study the origins of such linear representations. To that end, we introduce a simple latent variable model to abstract and formalize the concept dynamics of the next token prediction. We use this formalism to show that the next token prediction objective (softmax with cross-entropy) and the implicit bias of gradient descent together promote the linear representation of concepts. Experiments show that linear representations emerge when learning from data matching the latent variable model, confirming that this simple structure already suffices to yield linear representations. We additionally confirm some predictions of the theory using the LLaMA-2 large language model, giving evidence that the simplified model yields generalizable insights.

Attention operators have been applied on both 1-D data like texts and higher-order data such as images and videos. Use of attention operators on high-order data requires flattening of the spatial or spatial-temporal dimensions into a vector, which is assumed to follow a multivariate normal distribution. This not only incurs excessive requirements on computational resources, but also fails to preserve structures in data. In this work, we propose to avoid flattening by assuming the data follow matrix-variate normal distributions. Based on this new view, we develop Kronecker attention operators (KAOs) that operate on high-order tensor data directly. More importantly, the proposed KAOs lead to dramatic reductions in computational resources. Experimental results show that our methods reduce the amount of required computational resources by a factor of hundreds, with larger factors for higher-dimensional and higher-order data. Results also show that networks with KAOs outperform models without attention, while achieving competitive performance as those with original attention operators.

Temporal point processes (TPP) are a natural tool for modeling event-based data. Among all TPP models, Hawkes processes have proven to be the most widely used, mainly due to their adequate modeling for various applications, particularly when considering exponential or non-parametric kernels. Although non-parametric kernels are an option, such models require large datasets. While exponential kernels are more data efficient and relevant for specific applications where events immediately trigger more events, they are ill-suited for applications where latencies need to be estimated, such as in neuroscience. This work aims to offer an efficient solution to TPP inference using general parametric kernels with finite support. The developed solution consists of a fast ell_2 gradient-based solver leveraging a discretized version of the events. After theoretically supporting the use of discretization, the statistical and computational efficiency of the novel approach is demonstrated through various numerical experiments. Finally, the method's effectiveness is evaluated by modeling the occurrence of stimuli-induced patterns from brain signals recorded with magnetoencephalography (MEG). Given the use of general parametric kernels, results show that the proposed approach leads to an improved estimation of pattern latency than the state-of-the-art.

This article aims to provide the information retrieval community with some reflections on recent advances in retrieval learning by analyzing the reproducibility of image-text retrieval models. Due to the increase of multimodal data over the last decade, image-text retrieval has steadily become a major research direction in the field of information retrieval. Numerous researchers train and evaluate image-text retrieval algorithms using benchmark datasets such as MS-COCO and Flickr30k. Research in the past has mostly focused on performance, with multiple state-of-the-art methodologies being suggested in a variety of ways. According to their assertions, these techniques provide improved modality interactions and hence more precise multimodal representations. In contrast to previous works, we focus on the reproducibility of the approaches and the examination of the elements that lead to improved performance by pretrained and nonpretrained models in retrieving images and text. To be more specific, we first examine the related reproducibility concerns and explain why our focus is on image-text retrieval tasks. Second, we systematically summarize the current paradigm of image-text retrieval models and the stated contributions of those approaches. Third, we analyze various aspects of the reproduction of pretrained and nonpretrained retrieval models. To complete this, we conducted ablation experiments and obtained some influencing factors that affect retrieval recall more than the improvement claimed in the original paper. Finally, we present some reflections and challenges that the retrieval community should consider in the future. Our source code is publicly available at https://github.com/WangFei-2019/Image-text-Retrieval.

Despite the success of large vision and language models (VLMs) in many downstream applications, it is unclear how well they encode compositional information. Here, we create the Attribution, Relation, and Order (ARO) benchmark to systematically evaluate the ability of VLMs to understand different types of relationships, attributes, and order. ARO consists of Visual Genome Attribution, to test the understanding of objects' properties; Visual Genome Relation, to test for relational understanding; and COCO & Flickr30k-Order, to test for order sensitivity. ARO is orders of magnitude larger than previous benchmarks of compositionality, with more than 50,000 test cases. We show where state-of-the-art VLMs have poor relational understanding, can blunder when linking objects to their attributes, and demonstrate a severe lack of order sensitivity. VLMs are predominantly trained and evaluated on large datasets with rich compositional structure in the images and captions. Yet, training on these datasets has not been enough to address the lack of compositional understanding, and evaluating on these datasets has failed to surface this deficiency. To understand why these limitations emerge and are not represented in the standard tests, we zoom into the evaluation and training procedures. We demonstrate that it is possible to perform well on retrieval over existing datasets without using the composition and order information. Given that contrastive pretraining optimizes for retrieval on datasets with similar shortcuts, we hypothesize that this can explain why the models do not need to learn to represent compositional information. This finding suggests a natural solution: composition-aware hard negative mining. We show that a simple-to-implement modification of contrastive learning significantly improves the performance on tasks requiring understanding of order and compositionality.

We consider the problem of simultaneously clustering and learning a linear representation of data lying close to a union of low-dimensional manifolds, a fundamental task in machine learning and computer vision. When the manifolds are assumed to be linear subspaces, this reduces to the classical problem of subspace clustering, which has been studied extensively over the past two decades. Unfortunately, many real-world datasets such as natural images can not be well approximated by linear subspaces. On the other hand, numerous works have attempted to learn an appropriate transformation of the data, such that data is mapped from a union of general non-linear manifolds to a union of linear subspaces (with points from the same manifold being mapped to the same subspace). However, many existing works have limitations such as assuming knowledge of the membership of samples to clusters, requiring high sampling density, or being shown theoretically to learn trivial representations. In this paper, we propose to optimize the Maximal Coding Rate Reduction metric with respect to both the data representation and a novel doubly stochastic cluster membership, inspired by state-of-the-art subspace clustering results. We give a parameterization of such a representation and membership, allowing efficient mini-batching and one-shot initialization. Experiments on CIFAR-10, -20, -100, and TinyImageNet-200 datasets show that the proposed method is much more accurate and scalable than state-of-the-art deep clustering methods, and further learns a latent linear representation of the data.

This paper introduces an efficient and robust method for discovering interpretable circuits in large language models using discrete sparse autoencoders. Our approach addresses key limitations of existing techniques, namely computational complexity and sensitivity to hyperparameters. We propose training sparse autoencoders on carefully designed positive and negative examples, where the model can only correctly predict the next token for the positive examples. We hypothesise that learned representations of attention head outputs will signal when a head is engaged in specific computations. By discretising the learned representations into integer codes and measuring the overlap between codes unique to positive examples for each head, we enable direct identification of attention heads involved in circuits without the need for expensive ablations or architectural modifications. On three well-studied tasks - indirect object identification, greater-than comparisons, and docstring completion - the proposed method achieves higher precision and recall in recovering ground-truth circuits compared to state-of-the-art baselines, while reducing runtime from hours to seconds. Notably, we require only 5-10 text examples for each task to learn robust representations. Our findings highlight the promise of discrete sparse autoencoders for scalable and efficient mechanistic interpretability, offering a new direction for analysing the inner workings of large language models.

The recent success of distributed word representations has led to an increased interest in analyzing the properties of their spatial distribution. Several studies have suggested that contextualized word embedding models do not isotropically project tokens into vector space. However, current methods designed to measure isotropy, such as average random cosine similarity and the partition score, have not been thoroughly analyzed and are not appropriate for measuring isotropy. We propose IsoScore: a novel tool that quantifies the degree to which a point cloud uniformly utilizes the ambient vector space. Using rigorously designed tests, we demonstrate that IsoScore is the only tool available in the literature that accurately measures how uniformly distributed variance is across dimensions in vector space. Additionally, we use IsoScore to challenge a number of recent conclusions in the NLP literature that have been derived using brittle metrics of isotropy. We caution future studies from using existing tools to measure isotropy in contextualized embedding space as resulting conclusions will be misleading or altogether inaccurate.

Given a set of K probability densities, we consider the multimarginal generative modeling problem of learning a joint distribution that recovers these densities as marginals. The structure of this joint distribution should identify multi-way correspondences among the prescribed marginals. We formalize an approach to this task within a generalization of the stochastic interpolant framework, leading to efficient learning algorithms built upon dynamical transport of measure. Our generative models are defined by velocity and score fields that can be characterized as the minimizers of simple quadratic objectives, and they are defined on a simplex that generalizes the time variable in the usual dynamical transport framework. The resulting transport on the simplex is influenced by all marginals, and we show that multi-way correspondences can be extracted. The identification of such correspondences has applications to style transfer, algorithmic fairness, and data decorruption. In addition, the multimarginal perspective enables an efficient algorithm for reducing the dynamical transport cost in the ordinary two-marginal setting. We demonstrate these capacities with several numerical examples.

Current foundation models exhibit impressive capabilities when prompted either with text only or with both image and text inputs. But do their capabilities change depending on the input modality? In this work, we propose IsoBench, a benchmark dataset containing problems from four major areas: math, science, algorithms, and games. Each example is presented with multiple isomorphic representations of inputs, such as visual, textual, and mathematical presentations. IsoBench provides fine-grained feedback to diagnose performance gaps caused by the form of the representation. Across various foundation models, we observe that on the same problem, models have a consistent preference towards textual representations. Most prominently, when evaluated on all IsoBench problems, Claude-3 Opus performs 28.7 points worse when provided with images instead of text; similarly, GPT-4 Turbo is 18.7 points worse and Gemini Pro is 14.9 points worse. Finally, we present two prompting techniques, IsoCombination and IsoScratchPad, which improve model performance by considering combinations of, and translations between, different input representations.

We study the problem of teaching multiple learners simultaneously in the nonparametric iterative teaching setting, where the teacher iteratively provides examples to the learner for accelerating the acquisition of a target concept. This problem is motivated by the gap between current single-learner teaching setting and the real-world scenario of human instruction where a teacher typically imparts knowledge to multiple students. Under the new problem formulation, we introduce a novel framework -- Multi-learner Nonparametric Teaching (MINT). In MINT, the teacher aims to instruct multiple learners, with each learner focusing on learning a scalar-valued target model. To achieve this, we frame the problem as teaching a vector-valued target model and extend the target model space from a scalar-valued reproducing kernel Hilbert space used in single-learner scenarios to a vector-valued space. Furthermore, we demonstrate that MINT offers significant teaching speed-up over repeated single-learner teaching, particularly when the multiple learners can communicate with each other. Lastly, we conduct extensive experiments to validate the practicality and efficiency of MINT.

Estimating the uncertainty of responses of Large Language Models~(LLMs) remains a critical challenge. While recent Bayesian methods have demonstrated effectiveness in quantifying uncertainty through low-rank weight updates, they typically require complex fine-tuning or post-training procedures. In this paper, we propose Training-Free Bayesianization~(TFB), a novel framework that transforms existing off-the-shelf trained LoRA adapters into Bayesian ones without additional training. TFB systematically searches for the maximally acceptable level of variance in the weight posterior, constrained within a family of low-rank isotropic Gaussian distributions. We theoretically demonstrate that under mild conditions, this search process is equivalent to variational inference for the weights. Through comprehensive experiments, we show that TFB achieves superior uncertainty estimation and generalization compared to existing methods while eliminating the need for complex training procedures. Code will be available at https://github.com/Wang-ML-Lab/bayesian-peft.

Vector search systems, pivotal in AI applications, often rely on the Hierarchical Navigable Small Worlds (HNSW) algorithm. However, the behaviour of HNSW under real-world scenarios using vectors generated with deep learning models remains under-explored. Existing Approximate Nearest Neighbours (ANN) benchmarks and research typically has an over-reliance on simplistic datasets like MNIST or SIFT1M and fail to reflect the complexity of current use-cases. Our investigation focuses on HNSW's efficacy across a spectrum of datasets, including synthetic vectors tailored to mimic specific intrinsic dimensionalities, widely-used retrieval benchmarks with popular embedding models, and proprietary e-commerce image data with CLIP models. We survey the most popular HNSW vector databases and collate their default parameters to provide a realistic fixed parameterisation for the duration of the paper. We discover that the recall of approximate HNSW search, in comparison to exact K Nearest Neighbours (KNN) search, is linked to the vector space's intrinsic dimensionality and significantly influenced by the data insertion sequence. Our methodology highlights how insertion order, informed by measurable properties such as the pointwise Local Intrinsic Dimensionality (LID) or known categories, can shift recall by up to 12 percentage points. We also observe that running popular benchmark datasets with HNSW instead of KNN can shift rankings by up to three positions for some models. This work underscores the need for more nuanced benchmarks and design considerations in developing robust vector search systems using approximate vector search algorithms. This study presents a number of scenarios with varying real world applicability which aim to better increase understanding and future development of ANN algorithms and embedding

The success of pre-trained contextualized representations has prompted researchers to analyze them for the presence of linguistic information. Indeed, it is natural to assume that these pre-trained representations do encode some level of linguistic knowledge as they have brought about large empirical improvements on a wide variety of NLP tasks, which suggests they are learning true linguistic generalization. In this work, we focus on intrinsic probing, an analysis technique where the goal is not only to identify whether a representation encodes a linguistic attribute but also to pinpoint where this attribute is encoded. We propose a novel latent-variable formulation for constructing intrinsic probes and derive a tractable variational approximation to the log-likelihood. Our results show that our model is versatile and yields tighter mutual information estimates than two intrinsic probes previously proposed in the literature. Finally, we find empirical evidence that pre-trained representations develop a cross-lingually entangled notion of morphosyntax.

Large datasets of paired images and text have become increasingly popular for learning generic representations for vision and vision-and-language tasks. Such datasets have been built by querying search engines or collecting HTML alt-text -- since web data is noisy, they require complex filtering pipelines to maintain quality. We explore alternate data sources to collect high quality data with minimal filtering. We introduce RedCaps -- a large-scale dataset of 12M image-text pairs collected from Reddit. Images and captions from Reddit depict and describe a wide variety of objects and scenes. We collect data from a manually curated set of subreddits, which give coarse image labels and allow us to steer the dataset composition without labeling individual instances. We show that captioning models trained on RedCaps produce rich and varied captions preferred by humans, and learn visual representations that transfer to many downstream tasks.

Although pretrained language models can be fine-tuned to produce state-of-the-art results for a very wide range of language understanding tasks, the dynamics of this process are not well understood, especially in the low data regime. Why can we use relatively vanilla gradient descent algorithms (e.g., without strong regularization) to tune a model with hundreds of millions of parameters on datasets with only hundreds or thousands of labeled examples? In this paper, we argue that analyzing fine-tuning through the lens of intrinsic dimension provides us with empirical and theoretical intuitions to explain this remarkable phenomenon. We empirically show that common pre-trained models have a very low intrinsic dimension; in other words, there exists a low dimension reparameterization that is as effective for fine-tuning as the full parameter space. For example, by optimizing only 200 trainable parameters randomly projected back into the full space, we can tune a RoBERTa model to achieve 90\% of the full parameter performance levels on MRPC. Furthermore, we empirically show that pre-training implicitly minimizes intrinsic dimension and, perhaps surprisingly, larger models tend to have lower intrinsic dimension after a fixed number of pre-training updates, at least in part explaining their extreme effectiveness. Lastly, we connect intrinsic dimensionality with low dimensional task representations and compression based generalization bounds to provide intrinsic-dimension-based generalization bounds that are independent of the full parameter count.

Measuring geometric similarity between high-dimensional network representations is a topic of longstanding interest to neuroscience and deep learning. Although many methods have been proposed, only a few works have rigorously analyzed their statistical efficiency or quantified estimator uncertainty in data-limited regimes. Here, we derive upper and lower bounds on the worst-case convergence of standard estimators of shape distancex2014a measure of representational dissimilarity proposed by Williams et al. (2021).These bounds reveal the challenging nature of the problem in high-dimensional feature spaces. To overcome these challenges, we introduce a new method-of-moments estimator with a tunable bias-variance tradeoff. We show that this estimator achieves substantially lower bias than standard estimators in simulation and on neural data, particularly in high-dimensional settings. Thus, we lay the foundation for a rigorous statistical theory for high-dimensional shape analysis, and we contribute a new estimation method that is well-suited to practical scientific settings.

Despite extensive progress on image generation, common deep generative model architectures are not easily applied to lossless compression. For example, VAEs suffer from a compression cost overhead due to their latent variables. This overhead can only be partially eliminated with elaborate schemes such as bits-back coding, often resulting in poor single-sample compression rates. To overcome such problems, we establish a new class of tractable lossless compression models that permit efficient encoding and decoding: Probabilistic Circuits (PCs). These are a class of neural networks involving |p| computational units that support efficient marginalization over arbitrary subsets of the D feature dimensions, enabling efficient arithmetic coding. We derive efficient encoding and decoding schemes that both have time complexity O (log(D) cdot |p|), where a naive scheme would have linear costs in D and |p|, making the approach highly scalable. Empirically, our PC-based (de)compression algorithm runs 5-40 times faster than neural compression algorithms that achieve similar bitrates. By scaling up the traditional PC structure learning pipeline, we achieve state-of-the-art results on image datasets such as MNIST. Furthermore, PCs can be naturally integrated with existing neural compression algorithms to improve the performance of these base models on natural image datasets. Our results highlight the potential impact that non-standard learning architectures may have on neural data compression.

Precision and Recall are two prominent metrics of generative performance, which were proposed to separately measure the fidelity and diversity of generative models. Given their central role in comparing and improving generative models, understanding their limitations are crucially important. To that end, in this work, we identify a critical flaw in the common approximation of these metrics using k-nearest-neighbors, namely, that the very interpretations of fidelity and diversity that are assigned to Precision and Recall can fail in high dimensions, resulting in very misleading conclusions. Specifically, we empirically and theoretically show that as the number of dimensions grows, two model distributions with supports at equal point-wise distance from the support of the real distribution, can have vastly different Precision and Recall regardless of their respective distributions, hence an emergent asymmetry in high dimensions. Based on our theoretical insights, we then provide simple yet effective modifications to these metrics to construct symmetric metrics regardless of the number of dimensions. Finally, we provide experiments on real-world datasets to illustrate that the identified flaw is not merely a pathological case, and that our proposed metrics are effective in alleviating its impact.

Length extrapolation has attracted considerable attention recently since it allows transformers to be tested on longer sequences than those used in training. Previous research has shown that this property can be attained by using carefully designed Relative Positional Encodings (RPEs). While these methods perform well on a variety of corpora, the conditions for length extrapolation have yet to be investigated. This paper attempts to determine what types of RPEs allow for length extrapolation through a thorough mathematical and empirical analysis. We discover that a transformer is certain to possess this property as long as the series that corresponds to the RPE's exponential converges. Two practices are derived from the conditions and examined in language modeling tasks on a variety of corpora. As a bonus from the conditions, we derive a new Theoretical Receptive Field (TRF) to measure the receptive field of RPEs without taking any training steps. Extensive experiments are conducted on the Wikitext-103, Books, Github, and WikiBook datasets to demonstrate the viability of our discovered conditions. We also compare TRF to Empirical Receptive Field (ERF) across different models, showing consistently matched trends on the aforementioned datasets. The code is available at https://github.com/OpenNLPLab/Rpe.

This article proposes to auto-encode text at byte-level using convolutional networks with a recursive architecture. The motivation is to explore whether it is possible to have scalable and homogeneous text generation at byte-level in a non-sequential fashion through the simple task of auto-encoding. We show that non-sequential text generation from a fixed-length representation is not only possible, but also achieved much better auto-encoding results than recurrent networks. The proposed model is a multi-stage deep convolutional encoder-decoder framework using residual connections, containing up to 160 parameterized layers. Each encoder or decoder contains a shared group of modules that consists of either pooling or upsampling layers, making the network recursive in terms of abstraction levels in representation. Results for 6 large-scale paragraph datasets are reported, in 3 languages including Arabic, Chinese and English. Analyses are conducted to study several properties of the proposed model.

Most of the current self-supervised representation learning (SSL) methods are based on the contrastive loss and the instance-discrimination task, where augmented versions of the same image instance ("positives") are contrasted with instances extracted from other images ("negatives"). For the learning to be effective, many negatives should be compared with a positive pair, which is computationally demanding. In this paper, we propose a different direction and a new loss function for SSL, which is based on the whitening of the latent-space features. The whitening operation has a "scattering" effect on the batch samples, avoiding degenerate solutions where all the sample representations collapse to a single point. Our solution does not require asymmetric networks and it is conceptually simple. Moreover, since negatives are not needed, we can extract multiple positive pairs from the same image instance. The source code of the method and of all the experiments is available at: https://github.com/htdt/self-supervised.

Feature representations, both hand-designed and learned ones, are often hard to analyze and interpret, even when they are extracted from visual data. We propose a new approach to study image representations by inverting them with an up-convolutional neural network. We apply the method to shallow representations (HOG, SIFT, LBP), as well as to deep networks. For shallow representations our approach provides significantly better reconstructions than existing methods, revealing that there is surprisingly rich information contained in these features. Inverting a deep network trained on ImageNet provides several insights into the properties of the feature representation learned by the network. Most strikingly, the colors and the rough contours of an image can be reconstructed from activations in higher network layers and even from the predicted class probabilities.

The Bayesian treatment of neural networks dictates that a prior distribution is specified over their weight and bias parameters. This poses a challenge because modern neural networks are characterized by a large number of parameters, and the choice of these priors has an uncontrolled effect on the induced functional prior, which is the distribution of the functions obtained by sampling the parameters from their prior distribution. We argue that this is a hugely limiting aspect of Bayesian deep learning, and this work tackles this limitation in a practical and effective way. Our proposal is to reason in terms of functional priors, which are easier to elicit, and to "tune" the priors of neural network parameters in a way that they reflect such functional priors. Gaussian processes offer a rigorous framework to define prior distributions over functions, and we propose a novel and robust framework to match their prior with the functional prior of neural networks based on the minimization of their Wasserstein distance. We provide vast experimental evidence that coupling these priors with scalable Markov chain Monte Carlo sampling offers systematically large performance improvements over alternative choices of priors and state-of-the-art approximate Bayesian deep learning approaches. We consider this work a considerable step in the direction of making the long-standing challenge of carrying out a fully Bayesian treatment of neural networks, including convolutional neural networks, a concrete possibility.

Despite the growing use of transformer models in computer vision, a mechanistic understanding of these networks is still needed. This work introduces a method to reverse-engineer Vision Transformers trained to solve image classification tasks. Inspired by previous research in NLP, we demonstrate how the inner representations at any level of the hierarchy can be projected onto the learned class embedding space to uncover how these networks build categorical representations for their predictions. We use our framework to show how image tokens develop class-specific representations that depend on attention mechanisms and contextual information, and give insights on how self-attention and MLP layers differentially contribute to this categorical composition. We additionally demonstrate that this method (1) can be used to determine the parts of an image that would be important for detecting the class of interest, and (2) exhibits significant advantages over traditional linear probing approaches. Taken together, our results position our proposed framework as a powerful tool for mechanistic interpretability and explainability research.

Compositional generalization is crucial for artificial intelligence agents to solve complex vision-language reasoning tasks. Neuro-symbolic approaches have demonstrated promise in capturing compositional structures, but they face critical challenges: (a) reliance on predefined predicates for symbolic representations that limit adaptability, (b) difficulty in extracting predicates from raw data, and (c) using non-differentiable operations for combining primitive concepts. To address these issues, we propose NeSyCoCo, a neuro-symbolic framework that leverages large language models (LLMs) to generate symbolic representations and map them to differentiable neural computations. NeSyCoCo introduces three innovations: (a) augmenting natural language inputs with dependency structures to enhance the alignment with symbolic representations, (b) employing distributed word representations to link diverse, linguistically motivated logical predicates to neural modules, and (c) using the soft composition of normalized predicate scores to align symbolic and differentiable reasoning. Our framework achieves state-of-the-art results on the ReaSCAN and CLEVR-CoGenT compositional generalization benchmarks and demonstrates robust performance with novel concepts in the CLEVR-SYN benchmark.

Since the introduction of the transformer model by Vaswani et al. (2017), a fundamental question has yet to be answered: how does a model achieve extrapolation at inference time for sequences that are longer than it saw during training? We first show that extrapolation can be enabled by simply changing the position representation method, though we find that current methods do not allow for efficient extrapolation. We therefore introduce a simpler and more efficient position method, Attention with Linear Biases (ALiBi). ALiBi does not add positional embeddings to word embeddings; instead, it biases query-key attention scores with a penalty that is proportional to their distance. We show that this method trains a 1.3 billion parameter model on input sequences of length 1024 that extrapolates to input sequences of length 2048, achieving the same perplexity as a sinusoidal position embedding model trained on inputs of length 2048 but training 11% faster and using 11% less memory. ALiBi's inductive bias towards recency also leads it to outperform multiple strong position methods on the WikiText-103 benchmark.

We argue that representations in AI models, particularly deep networks, are converging. First, we survey many examples of convergence in the literature: over time and across multiple domains, the ways by which different neural networks represent data are becoming more aligned. Next, we demonstrate convergence across data modalities: as vision models and language models get larger, they measure distance between datapoints in a more and more alike way. We hypothesize that this convergence is driving toward a shared statistical model of reality, akin to Plato's concept of an ideal reality. We term such a representation the platonic representation and discuss several possible selective pressures toward it. Finally, we discuss the implications of these trends, their limitations, and counterexamples to our analysis.

Supervised contrastive loss (SCL) is a competitive and often superior alternative to the cross-entropy loss for classification. While prior studies have demonstrated that both losses yield symmetric training representations under balanced data, this symmetry breaks under class imbalances. This paper presents an intriguing discovery: the introduction of a ReLU activation at the final layer effectively restores the symmetry in SCL-learned representations. We arrive at this finding analytically, by establishing that the global minimizers of an unconstrained features model with SCL loss and entry-wise non-negativity constraints form an orthogonal frame. Extensive experiments conducted across various datasets, architectures, and imbalance scenarios corroborate our finding. Importantly, our experiments reveal that the inclusion of the ReLU activation restores symmetry without compromising test accuracy. This constitutes the first geometry characterization of SCL under imbalances. Additionally, our analysis and experiments underscore the pivotal role of batch selection strategies in representation geometry. By proving necessary and sufficient conditions for mini-batch choices that ensure invariant symmetric representations, we introduce batch-binding as an efficient strategy that guarantees these conditions hold.

Dense document embeddings are central to neural retrieval. The dominant paradigm is to train and construct embeddings by running encoders directly on individual documents. In this work, we argue that these embeddings, while effective, are implicitly out-of-context for targeted use cases of retrieval, and that a contextualized document embedding should take into account both the document and neighboring documents in context - analogous to contextualized word embeddings. We propose two complementary methods for contextualized document embeddings: first, an alternative contrastive learning objective that explicitly incorporates the document neighbors into the intra-batch contextual loss; second, a new contextual architecture that explicitly encodes neighbor document information into the encoded representation. Results show that both methods achieve better performance than biencoders in several settings, with differences especially pronounced out-of-domain. We achieve state-of-the-art results on the MTEB benchmark with no hard negative mining, score distillation, dataset-specific instructions, intra-GPU example-sharing, or extremely large batch sizes. Our method can be applied to improve performance on any contrastive learning dataset and any biencoder.

Visual scenes are composed of visual concepts and have the property of combinatorial explosion. An important reason for humans to efficiently learn from diverse visual scenes is the ability of compositional perception, and it is desirable for artificial intelligence to have similar abilities. Compositional scene representation learning is a task that enables such abilities. In recent years, various methods have been proposed to apply deep neural networks, which have been proven to be advantageous in representation learning, to learn compositional scene representations via reconstruction, advancing this research direction into the deep learning era. Learning via reconstruction is advantageous because it may utilize massive unlabeled data and avoid costly and laborious data annotation. In this survey, we first outline the current progress on reconstruction-based compositional scene representation learning with deep neural networks, including development history and categorizations of existing methods from the perspectives of the modeling of visual scenes and the inference of scene representations; then provide benchmarks, including an open source toolbox to reproduce the benchmark experiments, of representative methods that consider the most extensively studied problem setting and form the foundation for other methods; and finally discuss the limitations of existing methods and future directions of this research topic.

Despite the remarkable capabilities of deep neural networks in image recognition, the dependence on activation functions remains a largely unexplored area and has yet to be eliminated. On the other hand, Polynomial Networks is a class of models that does not require activation functions, but have yet to perform on par with modern architectures. In this work, we aim close this gap and propose MONet, which relies solely on multilinear operators. The core layer of MONet, called Mu-Layer, captures multiplicative interactions of the elements of the input token. MONet captures high-degree interactions of the input elements and we demonstrate the efficacy of our approach on a series of image recognition and scientific computing benchmarks. The proposed model outperforms prior polynomial networks and performs on par with modern architectures. We believe that MONet can inspire further research on models that use entirely multilinear operations.

Generating text with autoregressive language models (LMs) is of great importance to many natural language processing (NLP) applications. Previous solutions for this task often produce text that contains degenerative expressions or lacks semantic consistency. Recently, Su et al. introduced a new decoding method, contrastive search, based on the isotropic representation space of the language model and obtained new state of the art on various benchmarks. Additionally, Su et al. argued that the representations of autoregressive LMs (e.g. GPT-2) are intrinsically anisotropic which is also shared by previous studies. Therefore, to ensure the language model follows an isotropic distribution, Su et al. proposed a contrastive learning scheme, SimCTG, which calibrates the language model's representations through additional training. In this study, we first answer the question: "Are autoregressive LMs really anisotropic?". To this end, we extensively evaluate the isotropy of LMs across 16 major languages. Surprisingly, we find that the anisotropic problem only exists in the two specific English GPT-2-small/medium models. On the other hand, all other evaluated LMs are naturally isotropic which is in contrast to the conclusion drawn by previous studies. Based on our findings, we further assess the contrastive search decoding method using off-the-shelf LMs on four generation tasks across 16 languages. Our experimental results demonstrate that contrastive search significantly outperforms previous decoding methods without any additional training. More notably, on 12 out of the 16 evaluated languages, contrastive search performs comparably with human-level performances as judged by human evaluations. Our code and other related resources are publicly available at https://github.com/yxuansu/Contrastive_Search_Is_What_You_Need.

The performance of algorithms for neural architecture search strongly depends on the parametrization of the search space. We use contrastive learning to identify networks across different initializations based on their data Jacobians, and automatically produce the first architecture embeddings independent from the parametrization of the search space. Using our contrastive embeddings, we show that traditional black-box optimization algorithms, without modification, can reach state-of-the-art performance in Neural Architecture Search. As our method provides a unified embedding space, we perform for the first time transfer learning between search spaces. Finally, we show the evolution of embeddings during training, motivating future studies into using embeddings at different training stages to gain a deeper understanding of the networks in a search space.

This work addresses composed image retrieval in the context of domain conversion, where the content of a query image is retrieved in the domain specified by the query text. We show that a strong vision-language model provides sufficient descriptive power without additional training. The query image is mapped to the text input space using textual inversion. Unlike common practice that invert in the continuous space of text tokens, we use the discrete word space via a nearest-neighbor search in a text vocabulary. With this inversion, the image is softly mapped across the vocabulary and is made more robust using retrieval-based augmentation. Database images are retrieved by a weighted ensemble of text queries combining mapped words with the domain text. Our method outperforms prior art by a large margin on standard and newly introduced benchmarks. Code: https://github.com/NikosEfth/freedom

Much recent effort has been invested in non-autoregressive neural machine translation, which appears to be an efficient alternative to state-of-the-art autoregressive machine translation on modern GPUs. In contrast to the latter, where generation is sequential, the former allows generation to be parallelized across target token positions. Some of the latest non-autoregressive models have achieved impressive translation quality-speed tradeoffs compared to autoregressive baselines. In this work, we reexamine this tradeoff and argue that autoregressive baselines can be substantially sped up without loss in accuracy. Specifically, we study autoregressive models with encoders and decoders of varied depths. Our extensive experiments show that given a sufficiently deep encoder, a single-layer autoregressive decoder can substantially outperform strong non-autoregressive models with comparable inference speed. We show that the speed disadvantage for autoregressive baselines compared to non-autoregressive methods has been overestimated in three aspects: suboptimal layer allocation, insufficient speed measurement, and lack of knowledge distillation. Our results establish a new protocol for future research toward fast, accurate machine translation. Our code is available at https://github.com/jungokasai/deep-shallow.

In variational inference, the benefits of Bayesian models rely on accurately capturing the true posterior distribution. We propose using neural samplers that specify implicit distributions, which are well-suited for approximating complex multimodal and correlated posteriors in high-dimensional spaces. Our approach introduces novel bounds for approximate inference using implicit distributions by locally linearising the neural sampler. This is distinct from existing methods that rely on additional discriminator networks and unstable adversarial objectives. Furthermore, we present a new sampler architecture that, for the first time, enables implicit distributions over tens of millions of latent variables, addressing computational concerns by using differentiable numerical approximations. We empirically show that our method is capable of recovering correlations across layers in large Bayesian neural networks, a property that is crucial for a network's performance but notoriously challenging to achieve. To the best of our knowledge, no other method has been shown to accomplish this task for such large models. Through experiments in downstream tasks, we demonstrate that our expressive posteriors outperform state-of-the-art uncertainty quantification methods, validating the effectiveness of our training algorithm and the quality of the learned implicit approximation.

We introduce a model-based asynchronous multi-fidelity method for hyperparameter and neural architecture search that combines the strengths of asynchronous Hyperband and Gaussian process-based Bayesian optimization. At the heart of our method is a probabilistic model that can simultaneously reason across hyperparameters and resource levels, and supports decision-making in the presence of pending evaluations. We demonstrate the effectiveness of our method on a wide range of challenging benchmarks, for tabular data, image classification and language modelling, and report substantial speed-ups over current state-of-the-art methods. Our new methods, along with asynchronous baselines, are implemented in a distributed framework which will be open sourced along with this publication.

We introduce sub-sentence encoder, a contrastively-learned contextual embedding model for fine-grained semantic representation of text. In contrast to the standard practice with sentence embeddings, where the meaning of an entire sequence of text is encoded into a fixed-length vector, the sub-sentence encoder learns to produce distinct contextual embeddings corresponding to different atomic propositions, i.e. atomic units of meaning expressed within a text sequence. The sub-sentence embeddings are contrastively learned to recognize (inferred) semantic equivalence between propositions across different text sequences. Our experiments show the effectiveness of sub-sentence encoders in applications, such as retrieving supporting facts for fine-grained text attribution or recognizing the conditional semantic similarity between texts. In practice, we demonstrate that sub-sentence encoders keep the same level of inference cost and space complexity compared to sentence encoders.

State representation learning, or the ability to capture latent generative factors of an environment, is crucial for building intelligent agents that can perform a wide variety of tasks. Learning such representations without supervision from rewards is a challenging open problem. We introduce a method that learns state representations by maximizing mutual information across spatially and temporally distinct features of a neural encoder of the observations. We also introduce a new benchmark based on Atari 2600 games where we evaluate representations based on how well they capture the ground truth state variables. We believe this new framework for evaluating representation learning models will be crucial for future representation learning research. Finally, we compare our technique with other state-of-the-art generative and contrastive representation learning methods. The code associated with this work is available at https://github.com/mila-iqia/atari-representation-learning

We empirically study autoregressive pre-training from videos. To perform our study, we construct a series of autoregressive video models, called Toto. We treat videos as sequences of visual tokens and train transformer models to autoregressively predict future tokens. Our models are pre-trained on a diverse dataset of videos and images comprising over 1 trillion visual tokens. We explore different architectural, training, and inference design choices. We evaluate the learned visual representations on a range of downstream tasks including image recognition, video classification, object tracking, and robotics. Our results demonstrate that, despite minimal inductive biases, autoregressive pre-training leads to competitive performance across all benchmarks. Finally, we find that scaling our video models results in similar scaling curves to those seen in language models, albeit with a different rate. More details at https://brjathu.github.io/toto/

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 observe that the mapping between an image's representation in one model to its representation in another can be learned surprisingly well with just a linear layer, even across diverse models. Building on this observation, we propose text-to-concept, where features from a fixed pretrained model are aligned linearly to the CLIP space, so that text embeddings from CLIP's text encoder become directly comparable to the aligned features. With text-to-concept, we convert fixed off-the-shelf vision encoders to surprisingly strong zero-shot classifiers for free, with accuracy at times even surpassing that of CLIP, despite being much smaller models and trained on a small fraction of the data compared to CLIP. We show other immediate use-cases of text-to-concept, like building concept bottleneck models with no concept supervision, diagnosing distribution shifts in terms of human concepts, and retrieving images satisfying a set of text-based constraints. Lastly, we demonstrate the feasibility of concept-to-text, where vectors in a model's feature space are decoded by first aligning to the CLIP before being fed to a GPT-based generative model. Our work suggests existing deep models, with presumably diverse architectures and training, represent input samples relatively similarly, and a two-way communication across model representation spaces and to humans (through language) is viable.