Daily Papers

We have developed a novel activation function, named the Cauchy Activation Function. This function is derived from the Cauchy Integral Theorem in complex analysis and is specifically tailored for problems requiring high precision. This innovation has led to the creation of a new class of neural networks, which we call (Comple)XNet, or simply XNet. We will demonstrate that XNet is particularly effective for high-dimensional challenges such as image classification and solving Partial Differential Equations (PDEs). Our evaluations show that XNet significantly outperforms established benchmarks like MNIST and CIFAR-10 in computer vision, and offers substantial advantages over Physics-Informed Neural Networks (PINNs) in both low-dimensional and high-dimensional PDE scenarios.

Designing reward functions for efficiently guiding reinforcement learning (RL) agents toward specific behaviors is a complex task. This is challenging since it requires the identification of reward structures that are not sparse and that avoid inadvertently inducing undesirable behaviors. Naively modifying the reward structure to offer denser and more frequent feedback can lead to unintended outcomes and promote behaviors that are not aligned with the designer's intended goal. Although potential-based reward shaping is often suggested as a remedy, we systematically investigate settings where deploying it often significantly impairs performance. To address these issues, we introduce a new framework that uses a bi-level objective to learn behavior alignment reward functions. These functions integrate auxiliary rewards reflecting a designer's heuristics and domain knowledge with the environment's primary rewards. Our approach automatically determines the most effective way to blend these types of feedback, thereby enhancing robustness against heuristic reward misspecification. Remarkably, it can also adapt an agent's policy optimization process to mitigate suboptimalities resulting from limitations and biases inherent in the underlying RL algorithms. We evaluate our method's efficacy on a diverse set of tasks, from small-scale experiments to high-dimensional control challenges. We investigate heuristic auxiliary rewards of varying quality -- some of which are beneficial and others detrimental to the learning process. Our results show that our framework offers a robust and principled way to integrate designer-specified heuristics. It not only addresses key shortcomings of existing approaches but also consistently leads to high-performing solutions, even when given misaligned or poorly-specified auxiliary reward functions.

This paper introduces a pioneering 3D volumetric encoder designed for text-to-3D generation. To scale up the training data for the diffusion model, a lightweight network is developed to efficiently acquire feature volumes from multi-view images. The 3D volumes are then trained on a diffusion model for text-to-3D generation using a 3D U-Net. This research further addresses the challenges of inaccurate object captions and high-dimensional feature volumes. The proposed model, trained on the public Objaverse dataset, demonstrates promising outcomes in producing diverse and recognizable samples from text prompts. Notably, it empowers finer control over object part characteristics through textual cues, fostering model creativity by seamlessly combining multiple concepts within a single object. This research significantly contributes to the progress of 3D generation by introducing an efficient, flexible, and scalable representation methodology. Code is available at https://github.com/tzco/VolumeDiffusion.

Vector similarity search presents significant challenges in terms of scalability for large and high-dimensional datasets, as well as in providing native support for hybrid queries. Serverless computing and cloud functions offer attractive benefits such as elasticity and cost-effectiveness, but are difficult to apply to data-intensive workloads. Jointly addressing these two main challenges, we present SQUASH, the first fully serverless vector search solution with rich support for hybrid queries. It features OSQ, an optimized and highly parallelizable quantization-based approach for vectors and attributes. Its segment-based storage mechanism enables significant compression in resource-constrained settings and offers efficient dimensional extraction operations. SQUASH performs a single distributed pass to guarantee the return of sufficiently many vectors satisfying the filter predicate, achieving high accuracy and avoiding redundant computation for vectors which fail the predicate. A multi-level search workflow is introduced to prune most vectors early to minimize the load on Function-as-a-Service (FaaS) instances. SQUASH is designed to identify and utilize retention of relevant data in re-used runtime containers, which eliminates redundant I/O and reduces costs. Finally, we demonstrate a new tree-based method for rapid FaaS invocation, enabling the bi-directional flow of data via request/response payloads. Experiments comparing SQUASH with state-of-the-art serverless vector search solutions and server-based baselines on vector search benchmarks confirm significant performance improvements at a lower cost.

Many real-world manipulation tasks consist of a series of subtasks that are significantly different from one another. Such long-horizon, complex tasks highlight the potential of dexterous hands, which possess adaptability and versatility, capable of seamlessly transitioning between different modes of functionality without the need for re-grasping or external tools. However, the challenges arise due to the high-dimensional action space of dexterous hand and complex compositional dynamics of the long-horizon tasks. We present Sequential Dexterity, a general system based on reinforcement learning (RL) that chains multiple dexterous policies for achieving long-horizon task goals. The core of the system is a transition feasibility function that progressively finetunes the sub-policies for enhancing chaining success rate, while also enables autonomous policy-switching for recovery from failures and bypassing redundant stages. Despite being trained only in simulation with a few task objects, our system demonstrates generalization capability to novel object shapes and is able to zero-shot transfer to a real-world robot equipped with a dexterous hand. More details and video results could be found at https://sequential-dexterity.github.io

A pivotal challenge in robotics is achieving fast, safe, and robust dexterous grasping across a diverse range of objects, an important goal within industrial applications. However, existing methods often have very limited speed, dexterity, and generality, along with limited or no hardware safety guarantees. In this work, we introduce DextrAH-G, a depth-based dexterous grasping policy trained entirely in simulation that combines reinforcement learning, geometric fabrics, and teacher-student distillation. We address key challenges in joint arm-hand policy learning, such as high-dimensional observation and action spaces, the sim2real gap, collision avoidance, and hardware constraints. DextrAH-G enables a 23 motor arm-hand robot to safely and continuously grasp and transport a large variety of objects at high speed using multi-modal inputs including depth images, allowing generalization across object geometry. Videos at https://sites.google.com/view/dextrah-g.

Clustering is a widely deployed unsupervised learning tool. Model-based clustering is a flexible framework to tackle data heterogeneity when the clusters have different shapes. Likelihood-based inference for mixture distributions often involves non-convex and high-dimensional objective functions, imposing difficult computational and statistical challenges. The classic expectation-maximization (EM) algorithm is a computationally thrifty iterative method that maximizes a surrogate function minorizing the log-likelihood of observed data in each iteration, which however suffers from bad local maxima even in the special case of the standard Gaussian mixture model with common isotropic covariance matrices. On the other hand, recent studies reveal that the unique global solution of a semidefinite programming (SDP) relaxed K-means achieves the information-theoretically sharp threshold for perfectly recovering the cluster labels under the standard Gaussian mixture model. In this paper, we extend the SDP approach to a general setting by integrating cluster labels as model parameters and propose an iterative likelihood adjusted SDP (iLA-SDP) method that directly maximizes the exact observed likelihood in the presence of data heterogeneity. By lifting the cluster assignment to group-specific membership matrices, iLA-SDP avoids centroids estimation -- a key feature that allows exact recovery under well-separateness of centroids without being trapped by their adversarial configurations. Thus iLA-SDP is less sensitive than EM to initialization and more stable on high-dimensional data. Our numeric experiments demonstrate that iLA-SDP can achieve lower mis-clustering errors over several widely used clustering methods including K-means, SDP and EM algorithms.

Vision tokenizers have gained a lot of attraction due to their scalability and compactness; previous works depend on old-school GAN-based hyperparameters, biased comparisons, and a lack of comprehensive analysis of the scaling behaviours. To tackle those issues, we introduce Grouped Spherical Quantization (GSQ), featuring spherical codebook initialization and lookup regularization to constrain codebook latent to a spherical surface. Our empirical analysis of image tokenizer training strategies demonstrates that GSQ-GAN achieves superior reconstruction quality over state-of-the-art methods with fewer training iterations, providing a solid foundation for scaling studies. Building on this, we systematically examine the scaling behaviours of GSQ, specifically in latent dimensionality, codebook size, and compression ratios, and their impact on model performance. Our findings reveal distinct behaviours at high and low spatial compression levels, underscoring challenges in representing high-dimensional latent spaces. We show that GSQ can restructure high-dimensional latent into compact, low-dimensional spaces, thus enabling efficient scaling with improved quality. As a result, GSQ-GAN achieves a 16x down-sampling with a reconstruction FID (rFID) of 0.50.

We develop a portfolio allocation framework that leverages deep learning techniques to address challenges arising from high-dimensional, non-stationary, and low-signal-to-noise market information. Our approach includes a dynamic embedding method that reduces the non-stationary, high-dimensional state space into a lower-dimensional representation. We design a reinforcement learning (RL) framework that integrates generative autoencoders and online meta-learning to dynamically embed market information, enabling the RL agent to focus on the most impactful parts of the state space for portfolio allocation decisions. Empirical analysis based on the top 500 U.S. stocks demonstrates that our framework outperforms common portfolio benchmarks and the predict-then-optimize (PTO) approach using machine learning, particularly during periods of market stress. Traditional factor models do not fully explain this superior performance. The framework's ability to time volatility reduces its market exposure during turbulent times. Ablation studies confirm the robustness of this performance across various reinforcement learning algorithms. Additionally, the embedding and meta-learning techniques effectively manage the complexities of high-dimensional, noisy, and non-stationary financial data, enhancing both portfolio performance and risk management.

In this paper, we consider non-convex multi-block bilevel optimization (MBBO) problems, which involve mgg 1 lower level problems and have important applications in machine learning. Designing a stochastic gradient and controlling its variance is more intricate due to the hierarchical sampling of blocks and data and the unique challenge of estimating hyper-gradient. We aim to achieve three nice properties for our algorithm: (a) matching the state-of-the-art complexity of standard BO problems with a single block; (b) achieving parallel speedup by sampling I blocks and sampling B samples for each sampled block per-iteration; (c) avoiding the computation of the inverse of a high-dimensional Hessian matrix estimator. However, it is non-trivial to achieve all of these by observing that existing works only achieve one or two of these properties. To address the involved challenges for achieving (a, b, c), we propose two stochastic algorithms by using advanced blockwise variance-reduction techniques for tracking the Hessian matrices (for low-dimensional problems) or the Hessian-vector products (for high-dimensional problems), and prove an iteration complexity of O(mepsilon^{-3I(I<m)}{II} + mepsilon^{-3}{IB}) for finding an epsilon-stationary point under appropriate conditions. We also conduct experiments to verify the effectiveness of the proposed algorithms comparing with existing MBBO algorithms.

In recent years, imitation learning has made progress in the field of robotic manipulation. However, it still faces challenges when dealing with complex long-horizon deformable object tasks, such as high-dimensional state spaces, complex dynamics, and multimodal action distributions. Traditional imitation learning methods often require a large amount of data and encounter distributional shifts and accumulative errors in these tasks. To address these issues, we propose a data-efficient general learning framework (DeformPAM) based on preference learning and reward-guided action selection. DeformPAM decomposes long-horizon tasks into multiple action primitives, utilizes 3D point cloud inputs and diffusion models to model action distributions, and trains an implicit reward model using human preference data. During the inference phase, the reward model scores multiple candidate actions, selecting the optimal action for execution, thereby reducing the occurrence of anomalous actions and improving task completion quality. Experiments conducted on three challenging real-world long-horizon deformable object manipulation tasks demonstrate the effectiveness of this method. Results show that DeformPAM improves both task completion quality and efficiency compared to baseline methods even with limited data. Code and data will be available at https://deform-pam.robotflow.ai.

Sequential decision making algorithms often struggle to leverage different sources of unstructured offline interaction data. Imitation learning (IL) methods based on supervised learning are robust, but require optimal demonstrations, which are hard to collect. Offline goal-conditioned reinforcement learning (RL) algorithms promise to learn from sub-optimal data, but face optimization challenges especially with high-dimensional data. To bridge the gap between IL and RL, we introduce Distance Weighted Supervised Learning or DWSL, a supervised method for learning goal-conditioned policies from offline data. DWSL models the entire distribution of time-steps between states in offline data with only supervised learning, and uses this distribution to approximate shortest path distances. To extract a policy, we weight actions by their reduction in distance estimates. Theoretically, DWSL converges to an optimal policy constrained to the data distribution, an attractive property for offline learning, without any bootstrapping. Across all datasets we test, DWSL empirically maintains behavior cloning as a lower bound while still exhibiting policy improvement. In high-dimensional image domains, DWSL surpasses the performance of both prior goal-conditioned IL and RL algorithms. Visualizations and code can be found at https://sites.google.com/view/dwsl/home .

Diffusion models are the de facto approach for generating high-quality images and videos, but learning high-dimensional models remains a formidable task due to computational and optimization challenges. Existing methods often resort to training cascaded models in pixel space or using a downsampled latent space of a separately trained auto-encoder. In this paper, we introduce Matryoshka Diffusion Models(MDM), an end-to-end framework for high-resolution image and video synthesis. We propose a diffusion process that denoises inputs at multiple resolutions jointly and uses a NestedUNet architecture where features and parameters for small-scale inputs are nested within those of large scales. In addition, MDM enables a progressive training schedule from lower to higher resolutions, which leads to significant improvements in optimization for high-resolution generation. We demonstrate the effectiveness of our approach on various benchmarks, including class-conditioned image generation, high-resolution text-to-image, and text-to-video applications. Remarkably, we can train a single pixel-space model at resolutions of up to 1024x1024 pixels, demonstrating strong zero-shot generalization using the CC12M dataset, which contains only 12 million images.

Mathematical equations have been unreasonably effective in describing complex natural phenomena across various scientific disciplines. However, discovering such insightful equations from data presents significant challenges due to the necessity of navigating extremely high-dimensional combinatorial and nonlinear hypothesis spaces. Traditional methods of equation discovery largely focus on extracting equations from data alone, often neglecting the rich domain-specific prior knowledge that scientists typically depend on. To bridge this gap, we introduce LLM-SR, a novel approach that leverages the extensive scientific knowledge and robust code generation capabilities of Large Language Models (LLMs) to discover scientific equations from data in an efficient manner. Specifically, LLM-SR treats equations as programs with mathematical operators and combines LLMs' scientific priors with evolutionary search over equation programs. The LLM iteratively proposes new equation skeletons, drawing from its physical understanding, which are then optimized against data to estimate skeleton parameters. We demonstrate LLM-SR's effectiveness across three diverse scientific domains, where it discovers physically accurate equations that provide significantly better fits to in-domain and out-of-domain data compared to the well-established equation discovery baselines

Recent advancements in audio generation have been spurred by the evolution of large-scale deep learning models and expansive datasets. However, the task of video-to-audio (V2A) generation continues to be a challenge, principally because of the intricate relationship between the high-dimensional visual and auditory data, and the challenges associated with temporal synchronization. In this study, we introduce FoleyGen, an open-domain V2A generation system built on a language modeling paradigm. FoleyGen leverages an off-the-shelf neural audio codec for bidirectional conversion between waveforms and discrete tokens. The generation of audio tokens is facilitated by a single Transformer model, which is conditioned on visual features extracted from a visual encoder. A prevalent problem in V2A generation is the misalignment of generated audio with the visible actions in the video. To address this, we explore three novel visual attention mechanisms. We further undertake an exhaustive evaluation of multiple visual encoders, each pretrained on either single-modal or multi-modal tasks. The experimental results on VGGSound dataset show that our proposed FoleyGen outperforms previous systems across all objective metrics and human evaluations.

During the development of large language models (LLMs), pre-training data play a critical role in shaping LLMs' capabilities. In recent years several large-scale and high-quality pre-training datasets have been released to accelerate the research of LLMs, including ChineseWebText1.0, C4, Pile, WanJuan, MAPCC and others. However, as LLMs continue to evolve, focus has increasingly shifted to domain-specific capabilities and safety concerns, making those previous coarse-grained texts insufficient for meeting training requirements. Furthermore, fine-grained information, such as quality, domain and toxicity, is becoming increasingly important in building powerful and reliable LLMs for various scenarios. To address these challenges, in this paper we propose a new tool-chain called MDFG-tool for constructing large-scale and high-quality Chinese datasets with multi-dimensional and fine-grained information. First, we employ manually crafted rules to discard explicit noisy texts from raw contents. Second, the quality evaluation model, domain classifier, and toxicity evaluation model are well-designed to assess the remaining cleaned data respectively. Finally, we integrate these three types of fine-grained information for each text. With this approach, we release the largest, high-quality and fine-grained Chinese text ChineseWebText2.0, which consists of 3.8TB and each text is associated with a quality score, domain labels, a toxicity label and a toxicity score, facilitating the LLM researchers to select data based on various types of fine-grained information. The data, codes and the tool-chain are available on this website https://github.com/CASIA-LM/ChineseWebText-2.0

The generation of medical images presents significant challenges due to their high-resolution and three-dimensional nature. Existing methods often yield suboptimal performance in generating high-quality 3D medical images, and there is currently no universal generative framework for medical imaging. In this paper, we introduce the 3D Medical Diffusion (3D MedDiffusion) model for controllable, high-quality 3D medical image generation. 3D MedDiffusion incorporates a novel, highly efficient Patch-Volume Autoencoder that compresses medical images into latent space through patch-wise encoding and recovers back into image space through volume-wise decoding. Additionally, we design a new noise estimator to capture both local details and global structure information during diffusion denoising process. 3D MedDiffusion can generate fine-detailed, high-resolution images (up to 512x512x512) and effectively adapt to various downstream tasks as it is trained on large-scale datasets covering CT and MRI modalities and different anatomical regions (from head to leg). Experimental results demonstrate that 3D MedDiffusion surpasses state-of-the-art methods in generative quality and exhibits strong generalizability across tasks such as sparse-view CT reconstruction, fast MRI reconstruction, and data augmentation.

A vector database is used to store high-dimensional data that cannot be characterized by traditional DBMS. Although there are not many articles describing existing or introducing new vector database architectures, the approximate nearest neighbor search problem behind vector databases has been studied for a long time, and considerable related algorithmic articles can be found in the literature. This article attempts to comprehensively review relevant algorithms to provide a general understanding of this booming research area. The basis of our framework categorises these studies by the approach of solving ANNS problem, respectively hash-based, tree-based, graph-based and quantization-based approaches. Then we present an overview of existing challenges for vector databases. Lastly, we sketch how vector databases can be combined with large language models and provide new possibilities.

The core challenge of high-dimensional and expensive black-box optimization (BBO) is how to obtain better performance faster with little function evaluation cost. The essence of the problem is how to design an efficient optimization strategy tailored to the target task. This paper designs a powerful optimization framework to automatically learn the optimization strategies from the target or cheap surrogate task without human intervention. However, current methods are weak for this due to poor representation of optimization strategy. To achieve this, 1) drawing on the mechanism of genetic algorithm, we propose a deep neural network framework called B2Opt, which has a stronger representation of optimization strategies based on survival of the fittest; 2) B2Opt can utilize the cheap surrogate functions of the target task to guide the design of the efficient optimization strategies. Compared to the state-of-the-art BBO baselines, B2Opt can achieve multiple orders of magnitude performance improvement with less function evaluation cost. We validate our proposal on high-dimensional synthetic functions and two real-world applications. We also find that deep B2Opt performs better than shallow ones.

Probabilistic Circuits (PCs) are a unified framework for tractable probabilistic models that support efficient computation of various probabilistic queries (e.g., marginal probabilities). One key challenge is to scale PCs to model large and high-dimensional real-world datasets: we observe that as the number of parameters in PCs increases, their performance immediately plateaus. This phenomenon suggests that the existing optimizers fail to exploit the full expressive power of large PCs. We propose to overcome such bottleneck by latent variable distillation: we leverage the less tractable but more expressive deep generative models to provide extra supervision over the latent variables of PCs. Specifically, we extract information from Transformer-based generative models to assign values to latent variables of PCs, providing guidance to PC optimizers. Experiments on both image and language modeling benchmarks (e.g., ImageNet and WikiText-2) show that latent variable distillation substantially boosts the performance of large PCs compared to their counterparts without latent variable distillation. In particular, on the image modeling benchmarks, PCs achieve competitive performance against some of the widely-used deep generative models, including variational autoencoders and flow-based models, opening up new avenues for tractable generative modeling.

Current Visual Question Answering (VQA) systems can answer intelligent questions about `Known' visual content. However, their performance drops significantly when questions about visually and linguistically `Unknown' concepts are presented during inference (`Open-world' scenario). A practical VQA system should be able to deal with novel concepts in real world settings. To address this problem, we propose an exemplar-based approach that transfers learning (i.e., knowledge) from previously `Known' concepts to answer questions about the `Unknown'. We learn a highly discriminative joint embedding space, where visual and semantic features are fused to give a unified representation. Once novel concepts are presented to the model, it looks for the closest match from an exemplar set in the joint embedding space. This auxiliary information is used alongside the given Image-Question pair to refine visual attention in a hierarchical fashion. Since handling the high dimensional exemplars on large datasets can be a significant challenge, we introduce an efficient matching scheme that uses a compact feature description for search and retrieval. To evaluate our model, we propose a new split for VQA, separating Unknown visual and semantic concepts from the training set. Our approach shows significant improvements over state-of-the-art VQA models on the proposed Open-World VQA dataset and standard VQA datasets.

We investigate the challenge of parametrizing policies for reinforcement learning (RL) in high-dimensional continuous action spaces. Our objective is to develop a multimodal policy that overcomes limitations inherent in the commonly-used Gaussian parameterization. To achieve this, we propose a principled framework that models the continuous RL policy as a generative model of optimal trajectories. By conditioning the policy on a latent variable, we derive a novel variational bound as the optimization objective, which promotes exploration of the environment. We then present a practical model-based RL method, called Reparameterized Policy Gradient (RPG), which leverages the multimodal policy parameterization and learned world model to achieve strong exploration capabilities and high data efficiency. Empirical results demonstrate that our method can help agents evade local optima in tasks with dense rewards and solve challenging sparse-reward environments by incorporating an object-centric intrinsic reward. Our method consistently outperforms previous approaches across a range of tasks. Code and supplementary materials are available on the project page https://haosulab.github.io/RPG/

We present VideoOrion, a Video Large Language Model (Video-LLM) that explicitly captures the key semantic information in videos--the spatial-temporal dynamics of objects throughout the videos. VideoOrion employs expert vision models to extract object dynamics through a detect-segment-track pipeline, encoding them into a set of object tokens by aggregating spatial-temporal object features. Our method addresses the persistent challenge in Video-LLMs of efficiently compressing high-dimensional video data into semantic tokens that are comprehensible to LLMs. Compared to prior methods which resort to downsampling the original video or aggregating visual tokens using resamplers, leading to information loss and entangled semantics, VideoOrion not only offers a more natural and efficient way to derive compact, disentangled semantic representations but also enables explicit object modeling of video content with minimal computational cost. Moreover, the introduced object tokens naturally allow VideoOrion to accomplish video-based referring tasks. Experimental results show that VideoOrion can learn to make good use of the object tokens, and achieves competitive results on both general video question answering and video-based referring benchmarks.

Automatic International Classification of Diseases (ICD) coding aims to assign multiple ICD codes to a medical note with average length of 3,000+ tokens. This task is challenging due to a high-dimensional space of multi-label assignment (tens of thousands of ICD codes) and the long-tail challenge: only a few codes (common diseases) are frequently assigned while most codes (rare diseases) are infrequently assigned. This study addresses the long-tail challenge by adapting a prompt-based fine-tuning technique with label semantics, which has been shown to be effective under few-shot setting. To further enhance the performance in medical domain, we propose a knowledge-enhanced longformer by injecting three domain-specific knowledge: hierarchy, synonym, and abbreviation with additional pretraining using contrastive learning. Experiments on MIMIC-III-full, a benchmark dataset of code assignment, show that our proposed method outperforms previous state-of-the-art method in 14.5% in marco F1 (from 10.3 to 11.8, P<0.001). To further test our model on few-shot setting, we created a new rare diseases coding dataset, MIMIC-III-rare50, on which our model improves marco F1 from 17.1 to 30.4 and micro F1 from 17.2 to 32.6 compared to previous method.

Understanding how convolutional neural networks (CNNs) can efficiently learn high-dimensional functions remains a fundamental challenge. A popular belief is that these models harness the local and hierarchical structure of natural data such as images. Yet, we lack a quantitative understanding of how such structure affects performance, e.g., the rate of decay of the generalisation error with the number of training samples. In this paper, we study infinitely-wide deep CNNs in the kernel regime. First, we show that the spectrum of the corresponding kernel inherits the hierarchical structure of the network, and we characterise its asymptotics. Then, we use this result together with generalisation bounds to prove that deep CNNs adapt to the spatial scale of the target function. In particular, we find that if the target function depends on low-dimensional subsets of adjacent input variables, then the decay of the error is controlled by the effective dimensionality of these subsets. Conversely, if the target function depends on the full set of input variables, then the error decay is controlled by the input dimension. We conclude by computing the generalisation error of a deep CNN trained on the output of another deep CNN with randomly-initialised parameters. Interestingly, we find that, despite their hierarchical structure, the functions generated by infinitely-wide deep CNNs are too rich to be efficiently learnable in high dimension.

We introduce a novel neural network-based algorithm to compute optimal transport (OT) plans for general cost functionals. In contrast to common Euclidean costs, i.e., ell^1 or ell^2, such functionals provide more flexibility and allow using auxiliary information, such as class labels, to construct the required transport map. Existing methods for general costs are discrete and have limitations in practice, i.e. they do not provide an out-of-sample estimation. We address the challenge of designing a continuous OT approach for general costs that generalizes to new data points in high-dimensional spaces, such as images. Additionally, we provide the theoretical error analysis for our recovered transport plans. As an application, we construct a cost functional to map data distributions while preserving the class-wise structure.

Bimanual robotic manipulation is a long-standing challenge of embodied intelligence due to its characteristics of dual-arm spatial-temporal coordination and high-dimensional action spaces. Previous studies rely on pre-defined action taxonomies or direct teleoperation to alleviate or circumvent these issues, often making them lack simplicity, versatility and scalability. Differently, we believe that the most effective and efficient way for teaching bimanual manipulation is learning from human demonstrated videos, where rich features such as spatial-temporal positions, dynamic postures, interaction states and dexterous transitions are available almost for free. In this work, we propose the YOTO (You Only Teach Once), which can extract and then inject patterns of bimanual actions from as few as a single binocular observation of hand movements, and teach dual robot arms various complex tasks. Furthermore, based on keyframes-based motion trajectories, we devise a subtle solution for rapidly generating training demonstrations with diverse variations of manipulated objects and their locations. These data can then be used to learn a customized bimanual diffusion policy (BiDP) across diverse scenes. In experiments, YOTO achieves impressive performance in mimicking 5 intricate long-horizon bimanual tasks, possesses strong generalization under different visual and spatial conditions, and outperforms existing visuomotor imitation learning methods in accuracy and efficiency. Our project link is https://hnuzhy.github.io/projects/YOTO.

Motivation: Ab initio protein docking represents a major challenge for optimizing a noisy and costly "black box"-like function in a high-dimensional space. Despite progress in this field, there is no docking method available for rigorous uncertainty quantification (UQ) of its solution quality (e.g. interface RMSD or iRMSD). Results: We introduce a novel algorithm, Bayesian Active Learning (BAL), for optimization and UQ of such black-box functions and flexible protein docking. BAL directly models the posterior distribution of the global optimum (or native structures for protein docking) with active sampling and posterior estimation iteratively feeding each other. Furthermore, we use complex normal modes to represent a homogeneous Euclidean conformation space suitable for high-dimension optimization and construct funnel-like energy models for encounter complexes. Over a protein docking benchmark set and a CAPRI set including homology docking, we establish that BAL significantly improve against both starting points by rigid docking and refinements by particle swarm optimization, providing for one third targets a top-3 near-native prediction. BAL also generates tight confidence intervals with half range around 25% of iRMSD and confidence level at 85%. Its estimated probability of a prediction being native or not achieves binary classification AUROC at 0.93 and AUPRC over 0.60 (compared to 0.14 by chance); and also found to help ranking predictions. To the best of our knowledge, this study represents the first uncertainty quantification solution for protein docking, with theoretical rigor and comprehensive assessment. Source codes are available at https://github.com/Shen-Lab/BAL.

The Transformer architecture has shown a remarkable ability in modeling global relationships. However, it poses a significant computational challenge when processing high-dimensional medical images. This hinders its development and widespread adoption in this task. Mamba, as a State Space Model (SSM), recently emerged as a notable manner for long-range dependencies in sequential modeling, excelling in natural language processing filed with its remarkable memory efficiency and computational speed. Inspired by its success, we introduce SegMamba, a novel 3D medical image Segmentation Mamba model, designed to effectively capture long-range dependencies within whole volume features at every scale. Our SegMamba, in contrast to Transformer-based methods, excels in whole volume feature modeling from a state space model standpoint, maintaining superior processing speed, even with volume features at a resolution of {64times 64times 64}. Comprehensive experiments on the BraTS2023 dataset demonstrate the effectiveness and efficiency of our SegMamba. The code for SegMamba is available at: https://github.com/ge-xing/SegMamba

Manipulating objects with two multi-fingered hands has been a long-standing challenge in robotics, attributed to the contact-rich nature of many manipulation tasks and the complexity inherent in coordinating a high-dimensional bimanual system. In this work, we consider the problem of twisting lids of various bottle-like objects with two hands, and demonstrate that policies trained in simulation using deep reinforcement learning can be effectively transferred to the real world. With novel engineering insights into physical modeling, real-time perception, and reward design, the policy demonstrates generalization capabilities across a diverse set of unseen objects, showcasing dynamic and dexterous behaviors. Our findings serve as compelling evidence that deep reinforcement learning combined with sim-to-real transfer remains a promising approach for addressing manipulation problems of unprecedented complexity.

Symbolic regression (SR) is a powerful technique for discovering the underlying mathematical expressions from observed data. Inspired by the success of deep learning, recent efforts have focused on two categories for SR methods. One is using a neural network or genetic programming to search the expression tree directly. Although this has shown promising results, the large search space poses difficulties in learning constant factors and processing high-dimensional problems. Another approach is leveraging a transformer-based model training on synthetic data and offers advantages in inference speed. However, this method is limited to fixed small numbers of dimensions and may encounter inference problems when given data is out-of-distribution compared to the synthetic data. In this work, we propose DySymNet, a novel neural-guided Dynamic Symbolic Network for SR. Instead of searching for expressions within a large search space, we explore DySymNet with various structures and optimize them to identify expressions that better-fitting the data. With a topology structure like neural networks, DySymNet not only tackles the challenge of high-dimensional problems but also proves effective in optimizing constants. Based on extensive numerical experiments using low-dimensional public standard benchmarks and the well-known SRBench with more variables, our method achieves state-of-the-art performance in terms of fitting accuracy and robustness to noise.

Despite progress in video-language modeling, the computational challenge of interpreting long-form videos in response to task-specific linguistic queries persists, largely due to the complexity of high-dimensional video data and the misalignment between language and visual cues over space and time. To tackle this issue, we introduce a novel approach called Language-guided Spatial-Temporal Prompt Learning (LSTP). This approach features two key components: a Temporal Prompt Sampler (TPS) with optical flow prior that leverages temporal information to efficiently extract relevant video content, and a Spatial Prompt Solver (SPS) that adeptly captures the intricate spatial relationships between visual and textual elements. By harmonizing TPS and SPS with a cohesive training strategy, our framework significantly enhances computational efficiency, temporal understanding, and spatial-temporal alignment. Empirical evaluations across two challenging tasks--video question answering and temporal question grounding in videos--using a variety of video-language pretrainings (VLPs) and large language models (LLMs) demonstrate the superior performance, speed, and versatility of our proposed LSTP paradigm.

Robotic systems that aspire to operate in uninstrumented real-world environments must perceive the world directly via onboard sensing. Vision-based learning systems aim to eliminate the need for environment instrumentation by building an implicit understanding of the world based on raw pixels, but navigating the contact-rich high-dimensional search space from solely sparse visual reward signals significantly exacerbates the challenge of exploration. The applicability of such systems is thus typically restricted to simulated or heavily engineered environments since agent exploration in the real-world without the guidance of explicit state estimation and dense rewards can lead to unsafe behavior and safety faults that are catastrophic. In this study, we isolate the root causes behind these limitations to develop a system, called MoDem-V2, capable of learning contact-rich manipulation directly in the uninstrumented real world. Building on the latest algorithmic advancements in model-based reinforcement learning (MBRL), demo-bootstrapping, and effective exploration, MoDem-V2 can acquire contact-rich dexterous manipulation skills directly in the real world. We identify key ingredients for leveraging demonstrations in model learning while respecting real-world safety considerations -- exploration centering, agency handover, and actor-critic ensembles. We empirically demonstrate the contribution of these ingredients in four complex visuo-motor manipulation problems in both simulation and the real world. To the best of our knowledge, our work presents the first successful system for demonstration-augmented visual MBRL trained directly in the real world. Visit https://sites.google.com/view/modem-v2 for videos and more details.

Large Language Models (LLMs) have demonstrated remarkable success across various domains, yet their optimization remains a significant challenge due to the complex and high-dimensional loss landscapes they inhabit. While adaptive optimizers such as AdamW are widely used, they suffer from critical limitations, including an inability to capture interdependencies between coordinates and high memory consumption. Subsequent research, exemplified by SOAP, attempts to better capture coordinate interdependence but incurs greater memory overhead, limiting scalability for massive LLMs. An alternative approach aims to reduce memory consumption through low-dimensional projection, but this leads to substantial approximation errors, resulting in less effective optimization (e.g., in terms of per-token efficiency). In this paper, we propose COSMOS, a novel hybrid optimizer that leverages the varying importance of eigensubspaces in the gradient matrix to achieve memory efficiency without compromising optimization performance. The design of COSMOS is motivated by our empirical insights and practical considerations. Specifically, COSMOS applies SOAP to the leading eigensubspace, which captures the primary optimization dynamics, and MUON to the remaining eigensubspace, which is less critical but computationally expensive to handle with SOAP. This hybrid strategy significantly reduces memory consumption while maintaining robust optimization performance, making it particularly suitable for massive LLMs. Numerical experiments on various datasets and transformer architectures are provided to demonstrate the effectiveness of COSMOS. Our code is available at https://github.com/lliu606/COSMOS.

Efficient image tokenization with high compression ratios remains a critical challenge for training generative models. We present SoftVQ-VAE, a continuous image tokenizer that leverages soft categorical posteriors to aggregate multiple codewords into each latent token, substantially increasing the representation capacity of the latent space. When applied to Transformer-based architectures, our approach compresses 256x256 and 512x512 images using as few as 32 or 64 1-dimensional tokens. Not only does SoftVQ-VAE show consistent and high-quality reconstruction, more importantly, it also achieves state-of-the-art and significantly faster image generation results across different denoising-based generative models. Remarkably, SoftVQ-VAE improves inference throughput by up to 18x for generating 256x256 images and 55x for 512x512 images while achieving competitive FID scores of 1.78 and 2.21 for SiT-XL. It also improves the training efficiency of the generative models by reducing the number of training iterations by 2.3x while maintaining comparable performance. With its fully-differentiable design and semantic-rich latent space, our experiment demonstrates that SoftVQ-VAE achieves efficient tokenization without compromising generation quality, paving the way for more efficient generative models. Code and model are released.

Variational Autoencoder (VAE), compressing videos into latent representations, is a crucial preceding component of Latent Video Diffusion Models (LVDMs). With the same reconstruction quality, the more sufficient the VAE's compression for videos is, the more efficient the LVDMs are. However, most LVDMs utilize 2D image VAE, whose compression for videos is only in the spatial dimension and often ignored in the temporal dimension. How to conduct temporal compression for videos in a VAE to obtain more concise latent representations while promising accurate reconstruction is seldom explored. To fill this gap, we propose an omni-dimension compression VAE, named OD-VAE, which can temporally and spatially compress videos. Although OD-VAE's more sufficient compression brings a great challenge to video reconstruction, it can still achieve high reconstructed accuracy by our fine design. To obtain a better trade-off between video reconstruction quality and compression speed, four variants of OD-VAE are introduced and analyzed. In addition, a novel tail initialization is designed to train OD-VAE more efficiently, and a novel inference strategy is proposed to enable OD-VAE to handle videos of arbitrary length with limited GPU memory. Comprehensive experiments on video reconstruction and LVDM-based video generation demonstrate the effectiveness and efficiency of our proposed methods.

Deep-learning-based brain magnetic resonance imaging (MRI) reconstruction methods have the potential to accelerate the MRI acquisition process. Nevertheless, the scientific community lacks appropriate benchmarks to assess MRI reconstruction quality of high-resolution brain images, and evaluate how these proposed algorithms will behave in the presence of small, but expected data distribution shifts. The Multi-Coil Magnetic Resonance Image (MC-MRI) Reconstruction Challenge provides a benchmark that aims at addressing these issues, using a large dataset of high-resolution, three-dimensional, T1-weighted MRI scans. The challenge has two primary goals: 1) to compare different MRI reconstruction models on this dataset and 2) to assess the generalizability of these models to data acquired with a different number of receiver coils. In this paper, we describe the challenge experimental design, and summarize the results of a set of baseline and state of the art brain MRI reconstruction models. We provide relevant comparative information on the current MRI reconstruction state-of-the-art and highlight the challenges of obtaining generalizable models that are required prior to broader clinical adoption. The MC-MRI benchmark data, evaluation code and current challenge leaderboard are publicly available. They provide an objective performance assessment for future developments in the field of brain MRI reconstruction.

Important classes of active matter systems can be modeled using kinetic theories. However, kinetic theories can be high dimensional and challenging to simulate. Reduced-order representations based on tracking only low-order moments of the kinetic model serve as an efficient alternative, but typically require closure assumptions to model unrepresented higher-order moments. In this study, we present a learning framework based on neural networks that exploit rotational symmetries in the closure terms to learn accurate closure models directly from kinetic simulations. The data-driven closures demonstrate excellent a-priori predictions comparable to the state-of-the-art Bingham closure. We provide a systematic comparison between different neural network architectures and demonstrate that nonlocal effects can be safely ignored to model the closure terms. We develop an active learning strategy that enables accurate prediction of the closure terms across the entire parameter space using a single neural network without the need for retraining. We also propose a data-efficient training procedure based on time-stepping constraints and a differentiable pseudo-spectral solver, which enables the learning of stable closures suitable for a-posteriori inference. The coarse-grained simulations equipped with data-driven closure models faithfully reproduce the mean velocity statistics, scalar order parameters, and velocity power spectra observed in simulations of the kinetic theory. Our differentiable framework also facilitates the estimation of parameters in coarse-grained descriptions conditioned on data.

Quantum embedding with transformers is a novel and promising architecture for quantum machine learning to deliver exceptional capability on near-term devices or simulators. The research incorporated a vision transformer (ViT) to advance quantum significantly embedding ability and results for a single qubit classifier with around 3 percent in the median F1 score on the BirdCLEF-2021, a challenging high-dimensional dataset. The study showcases and analyzes empirical evidence that our transformer-based architecture is a highly versatile and practical approach to modern quantum machine learning problems.

Although reinforcement learning methods offer a powerful framework for automatic skill acquisition, for practical learning-based control problems in domains such as robotics, imitation learning often provides a more convenient and accessible alternative. In particular, an interactive imitation learning method such as DAgger, which queries a near-optimal expert to intervene online to collect correction data for addressing the distributional shift challenges that afflict na\"ive behavioral cloning, can enjoy good performance both in theory and practice without requiring manually specified reward functions and other components of full reinforcement learning methods. In this paper, we explore how off-policy reinforcement learning can enable improved performance under assumptions that are similar but potentially even more practical than those of interactive imitation learning. Our proposed method uses reinforcement learning with user intervention signals themselves as rewards. This relaxes the assumption that intervening experts in interactive imitation learning should be near-optimal and enables the algorithm to learn behaviors that improve over the potential suboptimal human expert. We also provide a unified framework to analyze our RL method and DAgger; for which we present the asymptotic analysis of the suboptimal gap for both methods as well as the non-asymptotic sample complexity bound of our method. We then evaluate our method on challenging high-dimensional continuous control simulation benchmarks as well as real-world robotic vision-based manipulation tasks. The results show that it strongly outperforms DAgger-like approaches across the different tasks, especially when the intervening experts are suboptimal. Code and videos can be found on the project website: rlif-page.github.io

Reinforcement learning is able to solve complex sequential decision-making tasks but is currently limited by sample efficiency and required computation. To improve sample efficiency, recent work focuses on model-based RL which interleaves model learning with planning. Recent methods further utilize policy learning, value estimation, and, self-supervised learning as auxiliary objectives. In this paper we show that, surprisingly, a simple representation learning approach relying only on a latent dynamics model trained by latent temporal consistency is sufficient for high-performance RL. This applies when using pure planning with a dynamics model conditioned on the representation, but, also when utilizing the representation as policy and value function features in model-free RL. In experiments, our approach learns an accurate dynamics model to solve challenging high-dimensional locomotion tasks with online planners while being 4.1 times faster to train compared to ensemble-based methods. With model-free RL without planning, especially on high-dimensional tasks, such as the DeepMind Control Suite Humanoid and Dog tasks, our approach outperforms model-free methods by a large margin and matches model-based methods' sample efficiency while training 2.4 times faster.

Sparse roadmaps are important to compactly represent state spaces, to determine problems to be infeasible and to terminate in finite time. However, sparse roadmaps do not scale well to high-dimensional planning problems. In prior work, we showed improved planning performance on high-dimensional planning problems by using multilevel abstractions to simplify state spaces. In this work, we generalize sparse roadmaps to multilevel abstractions by developing a novel algorithm, the sparse multilevel roadmap planner (SMLR). To this end, we represent multilevel abstractions using the language of fiber bundles, and generalize sparse roadmap planners by using the concept of restriction sampling with visibility regions. We argue SMLR to be probabilistically complete and asymptotically near-optimal by inheritance from sparse roadmap planners. In evaluations, we outperform sparse roadmap planners on challenging planning problems, in particular problems which are high-dimensional, contain narrow passages or are infeasible. We thereby demonstrate sparse multilevel roadmaps as an efficient tool for feasible and infeasible high-dimensional planning problems.

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.

In the domain of black-box model extraction, conventional methods reliant on soft labels or surrogate datasets struggle with scaling to high-dimensional input spaces and managing the complexity of an extensive array of interrelated classes. In this work, we present a novel approach that utilizes SHAP (SHapley Additive exPlanations) to enhance synthetic data generation. SHAP quantifies the individual contributions of each input feature towards the victim model's output, facilitating the optimization of an energy-based GAN towards a desirable output. This method significantly boosts performance, achieving a 16.45% increase in the accuracy of image classification models and extending to video classification models with an average improvement of 26.11% and a maximum of 33.36% on challenging datasets such as UCF11, UCF101, Kinetics 400, Kinetics 600, and Something-Something V2. We further demonstrate the effectiveness and practical utility of our method under various scenarios, including the availability of top-k prediction probabilities, top-k prediction labels, and top-1 labels.

The field of deep generative modeling has grown rapidly and consistently over the years. With the availability of massive amounts of training data coupled with advances in scalable unsupervised learning paradigms, recent large-scale generative models show tremendous promise in synthesizing high-resolution images and text, as well as structured data such as videos and molecules. However, we argue that current large-scale generative AI models do not sufficiently address several fundamental issues that hinder their widespread adoption across domains. In this work, we aim to identify key unresolved challenges in modern generative AI paradigms that should be tackled to further enhance their capabilities, versatility, and reliability. By identifying these challenges, we aim to provide researchers with valuable insights for exploring fruitful research directions, thereby fostering the development of more robust and accessible generative AI solutions.

We present a general causal generative modelling framework for accurate estimation of high fidelity image counterfactuals with deep structural causal models. Estimation of interventional and counterfactual queries for high-dimensional structured variables, such as images, remains a challenging task. We leverage ideas from causal mediation analysis and advances in generative modelling to design new deep causal mechanisms for structured variables in causal models. Our experiments demonstrate that our proposed mechanisms are capable of accurate abduction and estimation of direct, indirect and total effects as measured by axiomatic soundness of counterfactuals.

A diffusion probabilistic model (DPM), which constructs a forward diffusion process by gradually adding noise to data points and learns the reverse denoising process to generate new samples, has been shown to handle complex data distribution. Despite its recent success in image synthesis, applying DPMs to video generation is still challenging due to high-dimensional data spaces. Previous methods usually adopt a standard diffusion process, where frames in the same video clip are destroyed with independent noises, ignoring the content redundancy and temporal correlation. This work presents a decomposed diffusion process via resolving the per-frame noise into a base noise that is shared among all frames and a residual noise that varies along the time axis. The denoising pipeline employs two jointly-learned networks to match the noise decomposition accordingly. Experiments on various datasets confirm that our approach, termed as VideoFusion, surpasses both GAN-based and diffusion-based alternatives in high-quality video generation. We further show that our decomposed formulation can benefit from pre-trained image diffusion models and well-support text-conditioned video creation.

The Information Bottleneck (IB) principle offers an information-theoretic framework for analyzing the training process of deep neural networks (DNNs). Its essence lies in tracking the dynamics of two mutual information (MI) values: one between the hidden layer and the class label, and the other between the hidden layer and the DNN input. According to the hypothesis put forth by Shwartz-Ziv and Tishby (2017), the training process consists of two distinct phases: fitting and compression. The latter phase is believed to account for the good generalization performance exhibited by DNNs. Due to the challenging nature of estimating MI between high-dimensional random vectors, this hypothesis has only been verified for toy NNs or specific types of NNs, such as quantized NNs and dropout NNs. In this paper, we introduce a comprehensive framework for conducting IB analysis of general NNs. Our approach leverages the stochastic NN method proposed by Goldfeld et al. (2019) and incorporates a compression step to overcome the obstacles associated with high dimensionality. In other words, we estimate the MI between the compressed representations of high-dimensional random vectors. The proposed method is supported by both theoretical and practical justifications. Notably, we demonstrate the accuracy of our estimator through synthetic experiments featuring predefined MI values. Finally, we perform IB analysis on a close-to-real-scale convolutional DNN, which reveals new features of the MI dynamics.

Whole-body control for humanoids is challenging due to the high-dimensional nature of the problem, coupled with the inherent instability of a bipedal morphology. Learning from visual observations further exacerbates this difficulty. In this work, we explore highly data-driven approaches to visual whole-body humanoid control based on reinforcement learning, without any simplifying assumptions, reward design, or skill primitives. Specifically, we propose a hierarchical world model in which a high-level agent generates commands based on visual observations for a low-level agent to execute, both of which are trained with rewards. Our approach produces highly performant control policies in 8 tasks with a simulated 56-DoF humanoid, while synthesizing motions that are broadly preferred by humans. Code and videos: https://nicklashansen.com/rlpuppeteer

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.

Training energy-based models (EBMs) on high-dimensional data can be both challenging and time-consuming, and there exists a noticeable gap in sample quality between EBMs and other generative frameworks like GANs and diffusion models. To close this gap, inspired by the recent efforts of learning EBMs by maximizing diffusion recovery likelihood (DRL), we propose cooperative diffusion recovery likelihood (CDRL), an effective approach to tractably learn and sample from a series of EBMs defined on increasingly noisy versions of a dataset, paired with an initializer model for each EBM. At each noise level, the two models are jointly estimated within a cooperative training framework: samples from the initializer serve as starting points that are refined by a few MCMC sampling steps from the EBM. The EBM is then optimized by maximizing recovery likelihood, while the initializer model is optimized by learning from the difference between the refined samples and the initial samples. In addition, we made several practical designs for EBM training to further improve the sample quality. Combining these advances, our approach significantly boost the generation performance compared to existing EBM methods on CIFAR-10 and ImageNet datasets. We also demonstrate the effectiveness of our models for several downstream tasks, including classifier-free guided generation, compositional generation, image inpainting and out-of-distribution detection.

It is challenging for humans -- particularly those living with physical disabilities -- to control high-dimensional, dexterous robots. Prior work explores learning embedding functions that map a human's low-dimensional inputs (e.g., via a joystick) to complex, high-dimensional robot actions for assistive teleoperation; however, a central problem is that there are many more high-dimensional actions than available low-dimensional inputs. To extract the correct action and maximally assist their human controller, robots must reason over their context: for example, pressing a joystick down when interacting with a coffee cup indicates a different action than when interacting with knife. In this work, we develop assistive robots that condition their latent embeddings on visual inputs. We explore a spectrum of visual encoders and show that incorporating object detectors pretrained on small amounts of cheap, easy-to-collect structured data enables i) accurately and robustly recognizing the current context and ii) generalizing control embeddings to new objects and tasks. In user studies with a high-dimensional physical robot arm, participants leverage this approach to perform new tasks with unseen objects. Our results indicate that structured visual representations improve few-shot performance and are subjectively preferred by users.

It is a challenging task to learn rich and multi-scale spatiotemporal semantics from high-dimensional videos, due to large local redundancy and complex global dependency between video frames. The recent advances in this research have been mainly driven by 3D convolutional neural networks and vision transformers. Although 3D convolution can efficiently aggregate local context to suppress local redundancy from a small 3D neighborhood, it lacks the capability to capture global dependency because of the limited receptive field. Alternatively, vision transformers can effectively capture long-range dependency by self-attention mechanism, while having the limitation on reducing local redundancy with blind similarity comparison among all the tokens in each layer. Based on these observations, we propose a novel Unified transFormer (UniFormer) which seamlessly integrates merits of 3D convolution and spatiotemporal self-attention in a concise transformer format, and achieves a preferable balance between computation and accuracy. Different from traditional transformers, our relation aggregator can tackle both spatiotemporal redundancy and dependency, by learning local and global token affinity respectively in shallow and deep layers. We conduct extensive experiments on the popular video benchmarks, e.g., Kinetics-400, Kinetics-600, and Something-Something V1&V2. With only ImageNet-1K pretraining, our UniFormer achieves 82.9%/84.8% top-1 accuracy on Kinetics-400/Kinetics-600, while requiring 10x fewer GFLOPs than other state-of-the-art methods. For Something-Something V1 and V2, our UniFormer achieves new state-of-the-art performances of 60.9% and 71.2% top-1 accuracy respectively. Code is available at https://github.com/Sense-X/UniFormer.

Emerging 3D geometric foundation models, such as DUSt3R, offer a promising approach for in-the-wild 3D vision tasks. However, due to the high-dimensional nature of the problem space and scarcity of high-quality 3D data, these pre-trained models still struggle to generalize to many challenging circumstances, such as limited view overlap or low lighting. To address this, we propose LoRA3D, an efficient self-calibration pipeline to specialize the pre-trained models to target scenes using their own multi-view predictions. Taking sparse RGB images as input, we leverage robust optimization techniques to refine multi-view predictions and align them into a global coordinate frame. In particular, we incorporate prediction confidence into the geometric optimization process, automatically re-weighting the confidence to better reflect point estimation accuracy. We use the calibrated confidence to generate high-quality pseudo labels for the calibrating views and use low-rank adaptation (LoRA) to fine-tune the models on the pseudo-labeled data. Our method does not require any external priors or manual labels. It completes the self-calibration process on a single standard GPU within just 5 minutes. Each low-rank adapter requires only 18MB of storage. We evaluated our method on more than 160 scenes from the Replica, TUM and Waymo Open datasets, achieving up to 88% performance improvement on 3D reconstruction, multi-view pose estimation and novel-view rendering.

Jointly identifying a mixture of discrete and continuous factors of variability without supervision is a key problem in unraveling complex phenomena. Variational inference has emerged as a promising method to learn interpretable mixture representations. However, posterior approximation in high-dimensional latent spaces, particularly for discrete factors remains challenging. Here, we propose an unsupervised variational framework using multiple interacting networks called cpl-mixVAE that scales well to high-dimensional discrete settings. In this framework, the mixture representation of each network is regularized by imposing a consensus constraint on the discrete factor. We justify the use of this framework by providing both theoretical and experimental results. Finally, we use the proposed method to jointly uncover discrete and continuous factors of variability describing gene expression in a single-cell transcriptomic dataset profiling more than a hundred cortical neuron types.

Feature selection is one of the most challenging issues in machine learning, especially while working with high dimensional data. In this paper, we address the problem of feature selection and propose a new approach called Evolving Fast and Slow. This new approach is based on using two parallel genetic algorithms having high and low mutation rates, respectively. Evolving Fast and Slow requires a new parallel architecture combining an automatic system that evolves fast and an effortful system that evolves slow. With this architecture, exploration and exploitation can be done simultaneously and in unison. Evolving fast, with high mutation rate, can be useful to explore new unknown places in the search space with long jumps; and Evolving Slow, with low mutation rate, can be useful to exploit previously known places in the search space with short movements. Our experiments show that Evolving Fast and Slow achieves very good results in terms of both accuracy and feature elimination.

The increased demand for 3D data in AR/VR, robotics and gaming applications, gave rise to powerful generative pipelines capable of synthesizing high-quality 3D objects. Most of these models rely on the Score Distillation Sampling (SDS) algorithm to optimize a 3D representation such that the rendered image maintains a high likelihood as evaluated by a pre-trained diffusion model. However, finding a correct mode in the high-dimensional distribution produced by the diffusion model is challenging and often leads to issues such as over-saturation, over-smoothing, and Janus-like artifacts. In this paper, we propose a novel learning paradigm for 3D synthesis that utilizes pre-trained diffusion models. Instead of focusing on mode-seeking, our method directly models the distribution discrepancy between multi-view renderings and diffusion priors in an adversarial manner, which unlocks the generation of high-fidelity and photorealistic 3D content, conditioned on a single image and prompt. Moreover, by harnessing the latent space of GANs and expressive diffusion model priors, our method facilitates a wide variety of 3D applications including single-view reconstruction, high diversity generation and continuous 3D interpolation in the open domain. The experiments demonstrate the superiority of our pipeline compared to previous works in terms of generation quality and diversity.

Long-horizon contact-rich tasks are challenging to learn with reinforcement learning, due to ineffective exploration of high-dimensional state spaces with sparse rewards. The learning process often gets stuck in local optimum and demands task-specific reward fine-tuning for complex scenarios. In this work, we propose a structured framework that leverages privileged actions with curriculum learning, enabling the policy to efficiently acquire long-horizon skills without relying on extensive reward engineering or reference trajectories. Specifically, we use privileged actions in simulation with a general training procedure that would be infeasible to implement in real-world scenarios. These privileges include relaxed constraints and virtual forces that enhance interaction and exploration with objects. Our results successfully achieve complex multi-stage long-horizon tasks that naturally combine non-prehensile manipulation with grasping to lift objects from non-graspable poses. We demonstrate generality by maintaining a parsimonious reward structure and showing convergence to diverse and robust behaviors across various environments. Additionally, real-world experiments further confirm that the skills acquired using our approach are transferable to real-world environments, exhibiting robust and intricate performance. Our approach outperforms state-of-the-art methods in these tasks, converging to solutions where others fail.

Click-through rate (CTR) prediction, which aims to predict the probability of a user clicking on an ad or an item, is critical to many online applications such as online advertising and recommender systems. The problem is very challenging since (1) the input features (e.g., the user id, user age, item id, item category) are usually sparse and high-dimensional, and (2) an effective prediction relies on high-order combinatorial features (a.k.a. cross features), which are very time-consuming to hand-craft by domain experts and are impossible to be enumerated. Therefore, there have been efforts in finding low-dimensional representations of the sparse and high-dimensional raw features and their meaningful combinations. In this paper, we propose an effective and efficient method called the AutoInt to automatically learn the high-order feature interactions of input features. Our proposed algorithm is very general, which can be applied to both numerical and categorical input features. Specifically, we map both the numerical and categorical features into the same low-dimensional space. Afterwards, a multi-head self-attentive neural network with residual connections is proposed to explicitly model the feature interactions in the low-dimensional space. With different layers of the multi-head self-attentive neural networks, different orders of feature combinations of input features can be modeled. The whole model can be efficiently fit on large-scale raw data in an end-to-end fashion. Experimental results on four real-world datasets show that our proposed approach not only outperforms existing state-of-the-art approaches for prediction but also offers good explainability. Code is available at: https://github.com/DeepGraphLearning/RecommenderSystems.

Diffusion models have made significant advances in text-guided synthesis tasks. However, editing user-provided images remains challenging, as the high dimensional noise input space of diffusion models is not naturally suited for image inversion or spatial editing. In this work, we propose an image representation that promotes spatial editing of input images using a diffusion model. Concretely, we learn to encode an input into "image elements" that can faithfully reconstruct an input image. These elements can be intuitively edited by a user, and are decoded by a diffusion model into realistic images. We show the effectiveness of our representation on various image editing tasks, such as object resizing, rearrangement, dragging, de-occlusion, removal, variation, and image composition. Project page: https://jitengmu.github.io/Editable_Image_Elements/

Simulated humanoids are an appealing research domain due to their physical capabilities. Nonetheless, they are also challenging to control, as a policy must drive an unstable, discontinuous, and high-dimensional physical system. One widely studied approach is to utilize motion capture (MoCap) data to teach the humanoid agent low-level skills (e.g., standing, walking, and running) that can then be re-used to synthesize high-level behaviors. However, even with MoCap data, controlling simulated humanoids remains very hard, as MoCap data offers only kinematic information. Finding physical control inputs to realize the demonstrated motions requires computationally intensive methods like reinforcement learning. Thus, despite the publicly available MoCap data, its utility has been limited to institutions with large-scale compute. In this work, we dramatically lower the barrier for productive research on this topic by training and releasing high-quality agents that can track over three hours of MoCap data for a simulated humanoid in the dm_control physics-based environment. We release MoCapAct (Motion Capture with Actions), a dataset of these expert agents and their rollouts, which contain proprioceptive observations and actions. We demonstrate the utility of MoCapAct by using it to train a single hierarchical policy capable of tracking the entire MoCap dataset within dm_control and show the learned low-level component can be re-used to efficiently learn downstream high-level tasks. Finally, we use MoCapAct to train an autoregressive GPT model and show that it can control a simulated humanoid to perform natural motion completion given a motion prompt. Videos of the results and links to the code and dataset are available at https://microsoft.github.io/MoCapAct.

Nonprehensile manipulation is essential for manipulating objects that are too thin, large, or otherwise ungraspable in the wild. To sidestep the difficulty of contact modeling in conventional modeling-based approaches, reinforcement learning (RL) has recently emerged as a promising alternative. However, previous RL approaches either lack the ability to generalize over diverse object shapes, or use simple action primitives that limit the diversity of robot motions. Furthermore, using RL over diverse object geometry is challenging due to the high cost of training a policy that takes in high-dimensional sensory inputs. We propose a novel contact-based object representation and pretraining pipeline to tackle this. To enable massively parallel training, we leverage a lightweight patch-based transformer architecture for our encoder that processes point clouds, thus scaling our training across thousands of environments. Compared to learning from scratch, or other shape representation baselines, our representation facilitates both time- and data-efficient learning. We validate the efficacy of our overall system by zero-shot transferring the trained policy to novel real-world objects. Code and videos are available at https://sites.google.com/view/contact-non-prehensile.

This paper introduces Discrete-time Hybrid Automata Learning (DHAL), a framework using on-policy Reinforcement Learning to identify and execute mode-switching without trajectory segmentation or event function learning. Hybrid dynamical systems, which include continuous flow and discrete mode switching, can model robotics tasks like legged robot locomotion. Model-based methods usually depend on predefined gaits, while model-free approaches lack explicit mode-switching knowledge. Current methods identify discrete modes via segmentation before regressing continuous flow, but learning high-dimensional complex rigid body dynamics without trajectory labels or segmentation is a challenging open problem. Our approach incorporates a beta policy distribution and a multi-critic architecture to model contact-guided motions, exemplified by a challenging quadrupedal robot skateboard task. We validate our method through simulations and real-world tests, demonstrating robust performance in hybrid dynamical systems.

Current Reinforcement Learning (RL) is often limited by the large amount of data needed to learn a successful policy. Offline RL aims to solve this issue by using transitions collected by a different behavior policy. We address a novel Offline RL problem setting in which, while collecting the dataset, the transition and reward functions gradually change between episodes but stay constant within each episode. We propose a method based on Contrastive Predictive Coding that identifies this non-stationarity in the offline dataset, accounts for it when training a policy, and predicts it during evaluation. We analyze our proposed method and show that it performs well in simple continuous control tasks and challenging, high-dimensional locomotion tasks. We show that our method often achieves the oracle performance and performs better than baselines.

The vast majority of Reinforcement Learning methods is largely impacted by the computation effort and data requirements needed to obtain effective estimates of action-value functions, which in turn determine the quality of the overall performance and the sample-efficiency of the learning procedure. Typically, action-value functions are estimated through an iterative scheme that alternates the application of an empirical approximation of the Bellman operator and a subsequent projection step onto a considered function space. It has been observed that this scheme can be potentially generalized to carry out multiple iterations of the Bellman operator at once, benefiting the underlying learning algorithm. However, till now, it has been challenging to effectively implement this idea, especially in high-dimensional problems. In this paper, we introduce iterated Q-Network (i-QN), a novel principled approach that enables multiple consecutive Bellman updates by learning a tailored sequence of action-value functions where each serves as the target for the next. We show that i-QN is theoretically grounded and that it can be seamlessly used in value-based and actor-critic methods. We empirically demonstrate the advantages of i-QN in Atari 2600 games and MuJoCo continuous control problems.

Knowing the features of a complex system that are highly relevant to a particular target variable is of fundamental interest in many areas of science. Existing approaches are often limited to linear settings, sometimes lack guarantees, and in most cases, do not scale to the problem at hand, in particular to images. We propose DRCFS, a doubly robust feature selection method for identifying the causal features even in nonlinear and high dimensional settings. We provide theoretical guarantees, illustrate necessary conditions for our assumptions, and perform extensive experiments across a wide range of simulated and semi-synthetic datasets. DRCFS significantly outperforms existing state-of-the-art methods, selecting robust features even in challenging highly non-linear and high-dimensional problems.

Learning complex manipulation tasks in realistic, obstructed environments is a challenging problem due to hard exploration in the presence of obstacles and high-dimensional visual observations. Prior work tackles the exploration problem by integrating motion planning and reinforcement learning. However, the motion planner augmented policy requires access to state information, which is often not available in the real-world settings. To this end, we propose to distill a state-based motion planner augmented policy to a visual control policy via (1) visual behavioral cloning to remove the motion planner dependency along with its jittery motion, and (2) vision-based reinforcement learning with the guidance of the smoothed trajectories from the behavioral cloning agent. We evaluate our method on three manipulation tasks in obstructed environments and compare it against various reinforcement learning and imitation learning baselines. The results demonstrate that our framework is highly sample-efficient and outperforms the state-of-the-art algorithms. Moreover, coupled with domain randomization, our policy is capable of zero-shot transfer to unseen environment settings with distractors. Code and videos are available at https://clvrai.com/mopa-pd

Empowerment has the potential to help agents learn large skillsets, but is not yet a scalable solution for training general-purpose agents. Recent empowerment methods learn diverse skillsets by maximizing the mutual information between skills and states; however, these approaches require a model of the transition dynamics, which can be challenging to learn in realistic settings with high-dimensional and stochastic observations. We present Latent-Predictive Empowerment (LPE), an algorithm that can compute empowerment in a more practical manner. LPE learns large skillsets by maximizing an objective that is a principled replacement for the mutual information between skills and states and that only requires a simpler latent-predictive model rather than a full simulator of the environment. We show empirically in a variety of settings--including ones with high-dimensional observations and highly stochastic transition dynamics--that our empowerment objective (i) learns similar-sized skillsets as the leading empowerment algorithm that assumes access to a model of the transition dynamics and (ii) outperforms other model-based approaches to empowerment.

Semantic segmentation has made significant progress in recent years thanks to deep neural networks, but the common objective of generating a single segmentation output that accurately matches the image's content may not be suitable for safety-critical domains such as medical diagnostics and autonomous driving. Instead, multiple possible correct segmentation maps may be required to reflect the true distribution of annotation maps. In this context, stochastic semantic segmentation methods must learn to predict conditional distributions of labels given the image, but this is challenging due to the typically multimodal distributions, high-dimensional output spaces, and limited annotation data. To address these challenges, we propose a conditional categorical diffusion model (CCDM) for semantic segmentation based on Denoising Diffusion Probabilistic Models. Our model is conditioned to the input image, enabling it to generate multiple segmentation label maps that account for the aleatoric uncertainty arising from divergent ground truth annotations. Our experimental results show that CCDM achieves state-of-the-art performance on LIDC, a stochastic semantic segmentation dataset, and outperforms established baselines on the classical segmentation dataset Cityscapes.

Fair representation learning transforms user data into a representation that ensures fairness and utility regardless of the downstream application. However, learning individually fair representations, i.e., guaranteeing that similar individuals are treated similarly, remains challenging in high-dimensional settings such as computer vision. In this work, we introduce LASSI, the first representation learning method for certifying individual fairness of high-dimensional data. Our key insight is to leverage recent advances in generative modeling to capture the set of similar individuals in the generative latent space. This enables us to learn individually fair representations that map similar individuals close together by using adversarial training to minimize the distance between their representations. Finally, we employ randomized smoothing to provably map similar individuals close together, in turn ensuring that local robustness verification of the downstream application results in end-to-end fairness certification. Our experimental evaluation on challenging real-world image data demonstrates that our method increases certified individual fairness by up to 90% without significantly affecting task utility.

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.

Keeping track of scientific challenges, advances and emerging directions is a fundamental part of research. However, researchers face a flood of papers that hinders discovery of important knowledge. In biomedicine, this directly impacts human lives. To address this problem, we present a novel task of extraction and search of scientific challenges and directions, to facilitate rapid knowledge discovery. We construct and release an expert-annotated corpus of texts sampled from full-length papers, labeled with novel semantic categories that generalize across many types of challenges and directions. We focus on a large corpus of interdisciplinary work relating to the COVID-19 pandemic, ranging from biomedicine to areas such as AI and economics. We apply a model trained on our data to identify challenges and directions across the corpus and build a dedicated search engine. In experiments with 19 researchers and clinicians using our system, we outperform a popular scientific search engine in assisting knowledge discovery. Finally, we show that models trained on our resource generalize to the wider biomedical domain and to AI papers, highlighting its broad utility. We make our data, model and search engine publicly available. https://challenges.apps.allenai.org/

We introduce a novel class of sample-based explanations we term high-dimensional representers, that can be used to explain the predictions of a regularized high-dimensional model in terms of importance weights for each of the training samples. Our workhorse is a novel representer theorem for general regularized high-dimensional models, which decomposes the model prediction in terms of contributions from each of the training samples: with positive (negative) values corresponding to positive (negative) impact training samples to the model's prediction. We derive consequences for the canonical instances of ell_1 regularized sparse models, and nuclear norm regularized low-rank models. As a case study, we further investigate the application of low-rank models in the context of collaborative filtering, where we instantiate high-dimensional representers for specific popular classes of models. Finally, we study the empirical performance of our proposed methods on three real-world binary classification datasets and two recommender system datasets. We also showcase the utility of high-dimensional representers in explaining model recommendations.

Recent breakthroughs in large language modeling have facilitated rigorous exploration of their application in diverse tasks related to tabular data modeling, such as prediction, tabular data synthesis, question answering, and table understanding. Each task presents unique challenges and opportunities. However, there is currently a lack of comprehensive review that summarizes and compares the key techniques, metrics, datasets, models, and optimization approaches in this research domain. This survey aims to address this gap by consolidating recent progress in these areas, offering a thorough survey and taxonomy of the datasets, metrics, and methodologies utilized. It identifies strengths, limitations, unexplored territories, and gaps in the existing literature, while providing some insights for future research directions in this vital and rapidly evolving field. It also provides relevant code and datasets references. Through this comprehensive review, we hope to provide interested readers with pertinent references and insightful perspectives, empowering them with the necessary tools and knowledge to effectively navigate and address the prevailing challenges in the field.

The increased capabilities of generative AI have dramatically expanded its possible use cases in medicine. We provide a comprehensive overview of generative AI use cases for clinicians, patients, clinical trial organizers, researchers, and trainees. We then discuss the many challenges -- including maintaining privacy and security, improving transparency and interpretability, upholding equity, and rigorously evaluating models -- which must be overcome to realize this potential, and the open research directions they give rise to.

In high dimension, low sample size (HDLSS) settings, classifiers based on Euclidean distances like the nearest neighbor classifier and the average distance classifier perform quite poorly if differences between locations of the underlying populations get masked by scale differences. To rectify this problem, several modifications of these classifiers have been proposed in the literature. However, existing methods are confined to location and scale differences only, and often fail to discriminate among populations differing outside of the first two moments. In this article, we propose some simple transformations of these classifiers resulting into improved performance even when the underlying populations have the same location and scale. We further propose a generalization of these classifiers based on the idea of grouping of variables. The high-dimensional behavior of the proposed classifiers is studied theoretically. Numerical experiments with a variety of simulated examples as well as an extensive analysis of real data sets exhibit advantages of the proposed methods.

We introduce a benchmark to evaluate the capability of AI to solve problems in theoretical physics, focusing on high-energy theory and cosmology. The first iteration of our benchmark consists of 57 problems of varying difficulty, from undergraduate to research level. These problems are novel in the sense that they do not come from public problem collections. We evaluate our data set on various open and closed language models, including o3-mini, o1, DeepSeek-R1, GPT-4o and versions of Llama and Qwen. While we find impressive progress in model performance with the most recent models, our research-level difficulty problems are mostly unsolved. We address challenges of auto-verifiability and grading, and discuss common failure modes. While currently state-of-the art models are still of limited use for researchers, our results show that AI assisted theoretical physics research may become possible in the near future. We discuss the main obstacles towards this goal and possible strategies to overcome them. The public problems and solutions, results for various models, and updates to the data set and score distribution, are available on the website of the dataset tpbench.org.

In the realm of deep learning-based recommendation systems, the increasing computational demands, driven by the growing number of users and items, pose a significant challenge to practical deployment. This challenge is primarily twofold: reducing the model size while effectively learning user and item representations for efficient recommendations. Despite considerable advancements in model compression and architecture search, prevalent approaches face notable constraints. These include substantial additional computational costs from pre-training/re-training in model compression and an extensive search space in architecture design. Additionally, managing complexity and adhering to memory constraints is problematic, especially in scenarios with strict time or space limitations. Addressing these issues, this paper introduces a novel learning paradigm, Dynamic Sparse Learning (DSL), tailored for recommendation models. DSL innovatively trains a lightweight sparse model from scratch, periodically evaluating and dynamically adjusting each weight's significance and the model's sparsity distribution during the training. This approach ensures a consistent and minimal parameter budget throughout the full learning lifecycle, paving the way for "end-to-end" efficiency from training to inference. Our extensive experimental results underline DSL's effectiveness, significantly reducing training and inference costs while delivering comparable recommendation performance.

Modern deep learning applications require increasingly more compute to train state-of-the-art models. To address this demand, large corporations and institutions use dedicated High-Performance Computing clusters, whose construction and maintenance are both environmentally costly and well beyond the budget of most organizations. As a result, some research directions become the exclusive domain of a few large industrial and even fewer academic actors. To alleviate this disparity, smaller groups may pool their computational resources and run collaborative experiments that benefit all participants. This paradigm, known as grid- or volunteer computing, has seen successful applications in numerous scientific areas. However, using this approach for machine learning is difficult due to high latency, asymmetric bandwidth, and several challenges unique to volunteer computing. In this work, we carefully analyze these constraints and propose a novel algorithmic framework designed specifically for collaborative training. We demonstrate the effectiveness of our approach for SwAV and ALBERT pretraining in realistic conditions and achieve performance comparable to traditional setups at a fraction of the cost. Finally, we provide a detailed report of successful collaborative language model pretraining with 40 participants.

We provide a reproducible, end-to-end demonstration of vector search with OpenAI embeddings using Lucene on the popular MS MARCO passage ranking test collection. The main goal of our work is to challenge the prevailing narrative that a dedicated vector store is necessary to take advantage of recent advances in deep neural networks as applied to search. Quite the contrary, we show that hierarchical navigable small-world network (HNSW) indexes in Lucene are adequate to provide vector search capabilities in a standard bi-encoder architecture. This suggests that, from a simple cost-benefit analysis, there does not appear to be a compelling reason to introduce a dedicated vector store into a modern "AI stack" for search, since such applications have already received substantial investments in existing, widely deployed infrastructure.

Classification algorithms have recently found applications in computational physics for the selection of numerical methods or models adapted to the environment and the state of the physical system. For such classification tasks, labeled training data come from numerical simulations and generally correspond to physical fields discretized on a mesh. Three challenging difficulties arise: the lack of training data, their high dimensionality, and the non-applicability of common data augmentation techniques to physics data. This article introduces two algorithms to address these issues, one for dimensionality reduction via feature selection, and one for data augmentation. These algorithms are combined with a wide variety of classifiers for their evaluation. When combined with a stacking ensemble made of six multilayer perceptrons and a ridge logistic regression, they enable reaching an accuracy of 90% on our classification problem for nonlinear structural mechanics.

Learning high-quality feature embeddings efficiently and effectively is critical for the performance of web-scale machine learning systems. A typical model ingests hundreds of features with vocabularies on the order of millions to billions of tokens. The standard approach is to represent each feature value as a d-dimensional embedding, introducing hundreds of billions of parameters for extremely high-cardinality features. This bottleneck has led to substantial progress in alternative embedding algorithms. Many of these methods, however, make the assumption that each feature uses an independent embedding table. This work introduces a simple yet highly effective framework, Feature Multiplexing, where one single representation space is used across many different categorical features. Our theoretical and empirical analysis reveals that multiplexed embeddings can be decomposed into components from each constituent feature, allowing models to distinguish between features. We show that multiplexed representations lead to Pareto-optimal parameter-accuracy tradeoffs for three public benchmark datasets. Further, we propose a highly practical approach called Unified Embedding with three major benefits: simplified feature configuration, strong adaptation to dynamic data distributions, and compatibility with modern hardware. Unified embedding gives significant improvements in offline and online metrics compared to highly competitive baselines across five web-scale search, ads, and recommender systems, where it serves billions of users across the world in industry-leading products.

We introduce a large-scale dataset of math word problems and an interpretable neural math problem solver that learns to map problems to operation programs. Due to annotation challenges, current datasets in this domain have been either relatively small in scale or did not offer precise operational annotations over diverse problem types. We introduce a new representation language to model precise operation programs corresponding to each math problem that aim to improve both the performance and the interpretability of the learned models. Using this representation language, our new dataset, MathQA, significantly enhances the AQuA dataset with fully-specified operational programs. We additionally introduce a neural sequence-to-program model enhanced with automatic problem categorization. Our experiments show improvements over competitive baselines in our MathQA as well as the AQuA dataset. The results are still significantly lower than human performance indicating that the dataset poses new challenges for future research. Our dataset is available at: https://math-qa.github.io/math-QA/

Driven by advances in recording technology, large-scale high-dimensional datasets have emerged across many scientific disciplines. Especially in biology, clustering is often used to gain insights into the structure of such datasets, for instance to understand the organization of different cell types. However, clustering is known to scale poorly to high dimensions, even though the exact impact of dimensionality is unclear as current benchmark datasets are mostly two-dimensional. Here we propose MNIST-Nd, a set of synthetic datasets that share a key property of real-world datasets, namely that individual samples are noisy and clusters do not perfectly separate. MNIST-Nd is obtained by training mixture variational autoencoders with 2 to 64 latent dimensions on MNIST, resulting in six datasets with comparable structure but varying dimensionality. It thus offers the chance to disentangle the impact of dimensionality on clustering. Preliminary common clustering algorithm benchmarks on MNIST-Nd suggest that Leiden is the most robust for growing dimensions.

Advancements in genomic research such as high-throughput sequencing techniques have driven modern genomic studies into "big data" disciplines. This data explosion is constantly challenging conventional methods used in genomics. In parallel with the urgent demand for robust algorithms, deep learning has succeeded in a variety of fields such as vision, speech, and text processing. Yet genomics entails unique challenges to deep learning since we are expecting from deep learning a superhuman intelligence that explores beyond our knowledge to interpret the genome. A powerful deep learning model should rely on insightful utilization of task-specific knowledge. In this paper, we briefly discuss the strengths of different deep learning models from a genomic perspective so as to fit each particular task with a proper deep architecture, and remark on practical considerations of developing modern deep learning architectures for genomics. We also provide a concise review of deep learning applications in various aspects of genomic research, as well as pointing out potential opportunities and obstacles for future genomics applications.

We introduce a framework for automatically defining and learning deep generative models with problem-specific structure. We tackle problem domains that are more traditionally solved by algorithms such as sorting, constraint satisfaction for Sudoku, and matrix factorization. Concretely, we train diffusion models with an architecture tailored to the problem specification. This problem specification should contain a graphical model describing relationships between variables, and often benefits from explicit representation of subcomputations. Permutation invariances can also be exploited. Across a diverse set of experiments we improve the scaling relationship between problem dimension and our model's performance, in terms of both training time and final accuracy. Our code can be found at https://github.com/plai-group/gsdm.

Weight sharing promises to make neural architecture search (NAS) tractable even on commodity hardware. Existing methods in this space rely on a diverse set of heuristics to design and train the shared-weight backbone network, a.k.a. the super-net. Since heuristics and hyperparameters substantially vary across different methods, a fair comparison between them can only be achieved by systematically analyzing the influence of these factors. In this paper, we therefore provide a systematic evaluation of the heuristics and hyperparameters that are frequently employed by weight-sharing NAS algorithms. Our analysis uncovers that some commonly-used heuristics for super-net training negatively impact the correlation between super-net and stand-alone performance, and evidences the strong influence of certain hyperparameters and architectural choices. Our code and experiments set a strong and reproducible baseline that future works can build on.

Automatic bundle construction is a crucial prerequisite step in various bundle-aware online services. Previous approaches are mostly designed to model the bundling strategy of existing bundles. However, it is hard to acquire large-scale well-curated bundle dataset, especially for those platforms that have not offered bundle services before. Even for platforms with mature bundle services, there are still many items that are included in few or even zero bundles, which give rise to sparsity and cold-start challenges in the bundle construction models. To tackle these issues, we target at leveraging multimodal features, item-level user feedback signals, and the bundle composition information, to achieve a comprehensive formulation of bundle construction. Nevertheless, such formulation poses two new technical challenges: 1) how to learn effective representations by optimally unifying multiple features, and 2) how to address the problems of modality missing, noise, and sparsity problems induced by the incomplete query bundles. In this work, to address these technical challenges, we propose a Contrastive Learning-enhanced Hierarchical Encoder method (CLHE). Specifically, we use self-attention modules to combine the multimodal and multi-item features, and then leverage both item- and bundle-level contrastive learning to enhance the representation learning, thus to counter the modality missing, noise, and sparsity problems. Extensive experiments on four datasets in two application domains demonstrate that our method outperforms a list of SOTA methods. The code and dataset are available at https://github.com/Xiaohao-Liu/CLHE.

Information Retrieval using dense low-dimensional representations recently became popular and showed out-performance to traditional sparse-representations like BM25. However, no previous work investigated how dense representations perform with large index sizes. We show theoretically and empirically that the performance for dense representations decreases quicker than sparse representations for increasing index sizes. In extreme cases, this can even lead to a tipping point where at a certain index size sparse representations outperform dense representations. We show that this behavior is tightly connected to the number of dimensions of the representations: The lower the dimension, the higher the chance for false positives, i.e. returning irrelevant documents.

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.

Modern machine learning research relies on relatively few carefully curated datasets. Even in these datasets, and typically in `untidy' or raw data, practitioners are faced with significant issues of data quality and diversity which can be prohibitively labor intensive to address. Existing methods for dealing with these challenges tend to make strong assumptions about the particular issues at play, and often require a priori knowledge or metadata such as domain labels. Our work is orthogonal to these methods: we instead focus on providing a unified and efficient framework for Metadata Archaeology -- uncovering and inferring metadata of examples in a dataset. We curate different subsets of data that might exist in a dataset (e.g. mislabeled, atypical, or out-of-distribution examples) using simple transformations, and leverage differences in learning dynamics between these probe suites to infer metadata of interest. Our method is on par with far more sophisticated mitigation methods across different tasks: identifying and correcting mislabeled examples, classifying minority-group samples, prioritizing points relevant for training and enabling scalable human auditing of relevant examples.

This paper presents the computational challenge on differential geometry and topology that happened within the ICLR 2021 workshop "Geometric and Topological Representation Learning". The competition asked participants to provide creative contributions to the fields of computational geometry and topology through the open-source repositories Geomstats and Giotto-TDA. The challenge attracted 16 teams in its two month duration. This paper describes the design of the challenge and summarizes its main findings.

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.

Computer vision applications in intelligent transportation systems (ITS) and autonomous driving (AD) have gravitated towards deep neural network architectures in recent years. While performance seems to be improving on benchmark datasets, many real-world challenges are yet to be adequately considered in research. This paper conducted an extensive literature review on the applications of computer vision in ITS and AD, and discusses challenges related to data, models, and complex urban environments. The data challenges are associated with the collection and labeling of training data and its relevance to real world conditions, bias inherent in datasets, the high volume of data needed to be processed, and privacy concerns. Deep learning (DL) models are commonly too complex for real-time processing on embedded hardware, lack explainability and generalizability, and are hard to test in real-world settings. Complex urban traffic environments have irregular lighting and occlusions, and surveillance cameras can be mounted at a variety of angles, gather dirt, shake in the wind, while the traffic conditions are highly heterogeneous, with violation of rules and complex interactions in crowded scenarios. Some representative applications that suffer from these problems are traffic flow estimation, congestion detection, autonomous driving perception, vehicle interaction, and edge computing for practical deployment. The possible ways of dealing with the challenges are also explored while prioritizing practical deployment.

Enterprises grapple with the significant challenge of managing proprietary unstructured data, hindering efficient information retrieval. This has led to the emergence of AI-driven information retrieval solutions, designed to adeptly extract relevant insights to address employee inquiries. These solutions often leverage pre-trained embedding models and generative models as foundational components. While pre-trained embeddings may exhibit proximity or disparity based on their original training objectives, they might not fully align with the unique characteristics of enterprise-specific data, leading to suboptimal alignment with the retrieval goals of enterprise environments. In this paper, we propose a methodology to fine-tune pre-trained embedding models specifically for enterprise environments. By adapting the embeddings to better suit the retrieval tasks prevalent in enterprises, we aim to enhance the performance of information retrieval solutions. We discuss the process of fine-tuning, its effect on retrieval accuracy, and the potential benefits for enterprise information management. Our findings demonstrate the efficacy of fine-tuned embedding models in improving the precision and relevance of search results in enterprise settings.

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.

Vectors are universal mathematical objects that can represent text, images, speech, or a mix of these data modalities. That happens regardless of whether data is represented by hand-crafted features or learnt embeddings. Collect a large enough quantity of such vectors and the question of retrieval becomes urgently relevant: Finding vectors that are more similar to a query vector. This monograph is concerned with the question above and covers fundamental concepts along with advanced data structures and algorithms for vector retrieval. In doing so, it recaps this fascinating topic and lowers barriers of entry into this rich area of research.

Although deep learning has made great progress in recent years, the exploding economic and environmental costs of training neural networks are becoming unsustainable. To address this problem, there has been a great deal of research on *algorithmically-efficient deep learning*, which seeks to reduce training costs not at the hardware or implementation level, but through changes in the semantics of the training program. In this paper, we present a structured and comprehensive overview of the research in this field. First, we formalize the *algorithmic speedup* problem, then we use fundamental building blocks of algorithmically efficient training to develop a taxonomy. Our taxonomy highlights commonalities of seemingly disparate methods and reveals current research gaps. Next, we present evaluation best practices to enable comprehensive, fair, and reliable comparisons of speedup techniques. To further aid research and applications, we discuss common bottlenecks in the training pipeline (illustrated via experiments) and offer taxonomic mitigation strategies for them. Finally, we highlight some unsolved research challenges and present promising future directions.

Learned sparse text embeddings have gained popularity due to their effectiveness in top-k retrieval and inherent interpretability. Their distributional idiosyncrasies, however, have long hindered their use in real-world retrieval systems. That changed with the recent development of approximate algorithms that leverage the distributional properties of sparse embeddings to speed up retrieval. Nonetheless, in much of the existing literature, evaluation has been limited to datasets with only a few million documents such as MSMARCO. It remains unclear how these systems behave on much larger datasets and what challenges lurk in larger scales. To bridge that gap, we investigate the behavior of state-of-the-art retrieval algorithms on massive datasets. We compare and contrast the recently-proposed Seismic and graph-based solutions adapted from dense retrieval. We extensively evaluate Splade embeddings of 138M passages from MsMarco-v2 and report indexing time and other efficiency and effectiveness metrics.

The bootstrap is a popular data-driven method to quantify statistical uncertainty, but for modern high-dimensional problems, it could suffer from huge computational costs due to the need to repeatedly generate resamples and refit models. We study the use of bootstraps in high-dimensional environments with a small number of resamples. In particular, we show that with a recent "cheap" bootstrap perspective, using a number of resamples as small as one could attain valid coverage even when the dimension grows closely with the sample size, thus strongly supporting the implementability of the bootstrap for large-scale problems. We validate our theoretical results and compare the performance of our approach with other benchmarks via a range of experiments.

Clustering aims to group unlabelled samples based on their similarities. It has become a significant tool for the analysis of high-dimensional data. However, most of the clustering methods merely generate pseudo labels and thus are unable to simultaneously present the similarities between different clusters and outliers. This paper proposes a new framework called High-dimensional Clustering onto Hamiltonian Cycle (HCHC) to solve the above problems. First, HCHC combines global structure with local structure in one objective function for deep clustering, improving the labels as relative probabilities, to mine the similarities between different clusters while keeping the local structure in each cluster. Then, the anchors of different clusters are sorted on the optimal Hamiltonian cycle generated by the cluster similarities and mapped on the circumference of a circle. Finally, a sample with a higher probability of a cluster will be mapped closer to the corresponding anchor. In this way, our framework allows us to appreciate three aspects visually and simultaneously - clusters (formed by samples with high probabilities), cluster similarities (represented as circular distances), and outliers (recognized as dots far away from all clusters). The experiments illustrate the superiority of HCHC.

Deep Learning is often depicted as a trio of data-architecture-loss. Yet, recent Self Supervised Learning (SSL) solutions have introduced numerous additional design choices, e.g., a projector network, positive views, or teacher-student networks. These additions pose two challenges. First, they limit the impact of theoretical studies that often fail to incorporate all those intertwined designs. Second, they slow-down the deployment of SSL methods to new domains as numerous hyper-parameters need to be carefully tuned. In this study, we bring forward the surprising observation that--at least for pretraining datasets of up to a few hundred thousands samples--the additional designs introduced by SSL do not contribute to the quality of the learned representations. That finding not only provides legitimacy to existing theoretical studies, but also simplifies the practitioner's path to SSL deployment in numerous small and medium scale settings. Our finding answers a long-lasting question: the often-experienced sensitivity to training settings and hyper-parameters encountered in SSL come from their design, rather than the absence of supervised guidance.

Large Language Models (LLMs) have gained significant attention in the medical domain for their human-level capabilities, leading to increased efforts to explore their potential in various healthcare applications. However, despite such a promising future, there are multiple challenges and obstacles that remain for their real-world uses in practical settings. This work discusses key challenges for LLMs in medical applications from four unique aspects: operational vulnerabilities, ethical and social considerations, performance and assessment difficulties, and legal and regulatory compliance. Addressing these challenges is crucial for leveraging LLMs to their full potential and ensuring their responsible integration into healthcare.

Currently, high-dimensional data is ubiquitous in data science, which necessitates the development of techniques to decompose and interpret such multidimensional (aka tensor) datasets. Finding a low dimensional representation of the data, that is, its inherent structure, is one of the approaches that can serve to understand the dynamics of low dimensional latent features hidden in the data. Nonnegative RESCAL is one such technique, particularly well suited to analyze self-relational data, such as dynamic networks found in international trade flows. Nonnegative RESCAL computes a low dimensional tensor representation by finding the latent space containing multiple modalities. Estimating the dimensionality of this latent space is crucial for extracting meaningful latent features. Here, to determine the dimensionality of the latent space with nonnegative RESCAL, we propose a latent dimension determination method which is based on clustering of the solutions of multiple realizations of nonnegative RESCAL decompositions. We demonstrate the performance of our model selection method on synthetic data and then we apply our method to decompose a network of international trade flows data from International Monetary Fund and validate the resulting features against empirical facts from economic literature.

Recent advancements in Large Language Models have transformed ML/AI development, necessitating a reevaluation of AutoML principles for the Retrieval-Augmented Generation (RAG) systems. To address the challenges of hyper-parameter optimization and online adaptation in RAG, we propose the AutoRAG-HP framework, which formulates the hyper-parameter tuning as an online multi-armed bandit (MAB) problem and introduces a novel two-level Hierarchical MAB (Hier-MAB) method for efficient exploration of large search spaces. We conduct extensive experiments on tuning hyper-parameters, such as top-k retrieved documents, prompt compression ratio, and embedding methods, using the ALCE-ASQA and Natural Questions datasets. Our evaluation from jointly optimization all three hyper-parameters demonstrate that MAB-based online learning methods can achieve Recall@5 approx 0.8 for scenarios with prominent gradients in search space, using only sim20% of the LLM API calls required by the Grid Search approach. Additionally, the proposed Hier-MAB approach outperforms other baselines in more challenging optimization scenarios. The code will be made available at https://aka.ms/autorag.

We present Archer, a challenging bilingual text-to-SQL dataset specific to complex reasoning, including arithmetic, commonsense and hypothetical reasoning. It contains 1,042 English questions and 1,042 Chinese questions, along with 521 unique SQL queries, covering 20 English databases across 20 domains. Notably, this dataset demonstrates a significantly higher level of complexity compared to existing publicly available datasets. Our evaluation shows that Archer challenges the capabilities of current state-of-the-art models, with a high-ranked model on the Spider leaderboard achieving only 6.73% execution accuracy on Archer test set. Thus, Archer presents a significant challenge for future research in this field.

We investigate the potential of GPT-4~gpt4 to perform Neural Architecture Search (NAS) -- the task of designing effective neural architectures. Our proposed approach, GPT-4 Enhanced Neural archItectUre Search (GENIUS), leverages the generative capabilities of GPT-4 as a black-box optimiser to quickly navigate the architecture search space, pinpoint promising candidates, and iteratively refine these candidates to improve performance. We assess GENIUS across several benchmarks, comparing it with existing state-of-the-art NAS techniques to illustrate its effectiveness. Rather than targeting state-of-the-art performance, our objective is to highlight GPT-4's potential to assist research on a challenging technical problem through a simple prompting scheme that requires relatively limited domain expertiseCode available at \href{https://github.com/mingkai-zheng/GENIUS{https://github.com/mingkai-zheng/GENIUS}.}. More broadly, we believe our preliminary results point to future research that harnesses general purpose language models for diverse optimisation tasks. We also highlight important limitations to our study, and note implications for AI safety.

Orientation of modern software systems towards data-intensive processing raises new difficulties in software engineering on how to build and maintain such systems. Some of the important challenges concern the design of software architecture. In this article, we survey the fundamental challenges when designing data-intensive computing systems and present some of the most popular software architectural styles together with their potential to tackle these challenges.

Amid mounting concern about the reliability and credibility of machine learning research, we present a principled framework for making robust and generalizable claims: the multiverse analysis. Our framework builds upon the multiverse analysis (Steegen et al., 2016) introduced in response to psychology's own reproducibility crisis. To efficiently explore high-dimensional and often continuous ML search spaces, we model the multiverse with a Gaussian Process surrogate and apply Bayesian experimental design. Our framework is designed to facilitate drawing robust scientific conclusions about model performance, and thus our approach focuses on exploration rather than conventional optimization. In the first of two case studies, we investigate disputed claims about the relative merit of adaptive optimizers. Second, we synthesize conflicting research on the effect of learning rate on the large batch training generalization gap. For the machine learning community, the multiverse analysis is a simple and effective technique for identifying robust claims, for increasing transparency, and a step toward improved reproducibility.

After decades of massive digitisation, an unprecedented amount of historical documents is available in digital format, along with their machine-readable texts. While this represents a major step forward with respect to preservation and accessibility, it also opens up new opportunities in terms of content mining and the next fundamental challenge is to develop appropriate technologies to efficiently search, retrieve and explore information from this 'big data of the past'. Among semantic indexing opportunities, the recognition and classification of named entities are in great demand among humanities scholars. Yet, named entity recognition (NER) systems are heavily challenged with diverse, historical and noisy inputs. In this survey, we present the array of challenges posed by historical documents to NER, inventory existing resources, describe the main approaches deployed so far, and identify key priorities for future developments.

We study the problem of classification with a reject option for a fixed predictor, applicable in natural language processing. We introduce a new problem formulation for this scenario, and an algorithm minimizing a new surrogate loss function. We provide a complete theoretical analysis of the surrogate loss function with a strong H-consistency guarantee. For evaluation, we choose the decontextualization task, and provide a manually-labelled dataset of 2mathord,000 examples. Our algorithm significantly outperforms the baselines considered, with a sim!!25% improvement in coverage when halving the error rate, which is only sim!! 3 % away from the theoretical limit.

Multi-Task Learning (MTL) is a learning paradigm in machine learning and its aim is to leverage useful information contained in multiple related tasks to help improve the generalization performance of all the tasks. In this paper, we give a survey for MTL from the perspective of algorithmic modeling, applications and theoretical analyses. For algorithmic modeling, we give a definition of MTL and then classify different MTL algorithms into five categories, including feature learning approach, low-rank approach, task clustering approach, task relation learning approach and decomposition approach as well as discussing the characteristics of each approach. In order to improve the performance of learning tasks further, MTL can be combined with other learning paradigms including semi-supervised learning, active learning, unsupervised learning, reinforcement learning, multi-view learning and graphical models. When the number of tasks is large or the data dimensionality is high, we review online, parallel and distributed MTL models as well as dimensionality reduction and feature hashing to reveal their computational and storage advantages. Many real-world applications use MTL to boost their performance and we review representative works in this paper. Finally, we present theoretical analyses and discuss several future directions for MTL.

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

Retrieval-Augmented Generation (RAG) has quickly grown into a pivotal paradigm in the development of Large Language Models (LLMs). While much of the current research in this field focuses on performance optimization, particularly in terms of accuracy and efficiency, the trustworthiness of RAG systems remains an area still under exploration. From a positive perspective, RAG systems are promising to enhance LLMs by providing them with useful and up-to-date knowledge from vast external databases, thereby mitigating the long-standing problem of hallucination. While from a negative perspective, RAG systems are at the risk of generating undesirable contents if the retrieved information is either inappropriate or poorly utilized. To address these concerns, we propose a unified framework that assesses the trustworthiness of RAG systems across six key dimensions: factuality, robustness, fairness, transparency, accountability, and privacy. Within this framework, we thoroughly review the existing literature on each dimension. Additionally, we create the evaluation benchmark regarding the six dimensions and conduct comprehensive evaluations for a variety of proprietary and open-source models. Finally, we identify the potential challenges for future research based on our investigation results. Through this work, we aim to lay a structured foundation for future investigations and provide practical insights for enhancing the trustworthiness of RAG systems in real-world applications.

The core of information retrieval (IR) is to identify relevant information from large-scale resources and return it as a ranked list to respond to the user's information need. In recent years, the resurgence of deep learning has greatly advanced this field and leads to a hot topic named NeuIR (i.e., neural information retrieval), especially the paradigm of pre-training methods (PTMs). Owing to sophisticated pre-training objectives and huge model size, pre-trained models can learn universal language representations from massive textual data, which are beneficial to the ranking task of IR. Recently, a large number of works, which are dedicated to the application of PTMs in IR, have been introduced to promote the retrieval performance. Considering the rapid progress of this direction, this survey aims to provide a systematic review of pre-training methods in IR. To be specific, we present an overview of PTMs applied in different components of an IR system, including the retrieval component, the re-ranking component, and other components. In addition, we also introduce PTMs specifically designed for IR, and summarize available datasets as well as benchmark leaderboards. Moreover, we discuss some open challenges and highlight several promising directions, with the hope of inspiring and facilitating more works on these topics for future research.

Adapting pre-trained foundation models for various downstream tasks has been prevalent in artificial intelligence. Due to the vast number of tasks and high costs, adjusting all parameters becomes unfeasible. To mitigate this, several fine-tuning techniques have been developed to update the pre-trained model weights in a more resource-efficient manner, such as through low-rank adjustments. Yet, almost all of these methods focus on linear weights, neglecting the intricacies of parameter spaces in higher dimensions like 4D. Alternatively, some methods can be adapted for high-dimensional parameter space by compressing changes in the original space into two dimensions and then employing low-rank matrix decomposition. However, these approaches destructs the structural integrity of the involved high-dimensional spaces. To tackle the diversity of dimensional spaces across different foundation models and provide a more precise representation of the changes within these spaces, this paper introduces a generalized parameter-efficient fine-tuning framework, FLoRA, designed for various dimensional parameter space. Specifically, utilizing Tucker decomposition, FLoRA asserts that changes in each dimensional parameter space are based on a low-rank core space which maintains the consistent topological structure with the original space. It then models the changes through this core space alongside corresponding weights to reconstruct alterations in the original space. FLoRA effectively preserves the structural integrity of the change of original N-dimensional parameter space, meanwhile decomposes it via low-rank tensor decomposition. Extensive experiments on computer vision, natural language processing and multi-modal tasks validate FLoRA's effectiveness. Codes are available at https://github.com/SJTU-DeepVisionLab/FLoRA.

Standard training datasets for deep learning often contain objects in common settings (e.g., "a horse on grass" or "a ship in water") since they are usually collected by randomly scraping the web. Uncommon and rare settings (e.g., "a plane on water", "a car in snowy weather") are thus severely under-represented in the training data. This can lead to an undesirable bias in model predictions towards common settings and create a false sense of accuracy. In this paper, we introduce FOCUS (Familiar Objects in Common and Uncommon Settings), a dataset for stress-testing the generalization power of deep image classifiers. By leveraging the power of modern search engines, we deliberately gather data containing objects in common and uncommon settings in a wide range of locations, weather conditions, and time of day. We present a detailed analysis of the performance of various popular image classifiers on our dataset and demonstrate a clear drop in performance when classifying images in uncommon settings. By analyzing deep features of these models, we show that such errors can be due to the use of spurious features in model predictions. We believe that our dataset will aid researchers in understanding the inability of deep models to generalize well to uncommon settings and drive future work on improving their distributional robustness.

The paper announces the new long-term challenge for improving the performance of automatic speech recognition systems. The goal of the challenge is to investigate methods of correcting the recognition results on the basis of previously made errors by the speech processing system. The dataset prepared for the task is described and evaluation criteria are presented.

Comprehensive evaluation of Multimodal Large Language Models (MLLMs) has recently garnered widespread attention in the research community. However, we observe that existing benchmarks present several common barriers that make it difficult to measure the significant challenges that models face in the real world, including: 1) small data scale leads to a large performance variance; 2) reliance on model-based annotations results in restricted data quality; 3) insufficient task difficulty, especially caused by the limited image resolution. To tackle these issues, we introduce MME-RealWorld. Specifically, we collect more than 300K images from public datasets and the Internet, filtering 13,366 high-quality images for annotation. This involves the efforts of professional 25 annotators and 7 experts in MLLMs, contributing to 29,429 question-answer pairs that cover 43 subtasks across 5 real-world scenarios, extremely challenging even for humans. As far as we know, MME-RealWorld is the largest manually annotated benchmark to date, featuring the highest resolution and a targeted focus on real-world applications. We further conduct a thorough evaluation involving 28 prominent MLLMs, such as GPT-4o, Gemini 1.5 Pro, and Claude 3.5 Sonnet. Our results show that even the most advanced models struggle with our benchmarks, where none of them reach 60% accuracy. The challenges of perceiving high-resolution images and understanding complex real-world scenarios remain urgent issues to be addressed. The data and evaluation code are released at https://mme-realworld.github.io/ .

Advancements in artificial intelligence, machine learning, and deep learning have catalyzed the transformation of big data analytics and management into pivotal domains for research and application. This work explores the theoretical foundations, methodological advancements, and practical implementations of these technologies, emphasizing their role in uncovering actionable insights from massive, high-dimensional datasets. The study presents a systematic overview of data preprocessing techniques, including data cleaning, normalization, integration, and dimensionality reduction, to prepare raw data for analysis. Core analytics methodologies such as classification, clustering, regression, and anomaly detection are examined, with a focus on algorithmic innovation and scalability. Furthermore, the text delves into state-of-the-art frameworks for data mining and predictive modeling, highlighting the role of neural networks, support vector machines, and ensemble methods in tackling complex analytical challenges. Special emphasis is placed on the convergence of big data with distributed computing paradigms, including cloud and edge computing, to address challenges in storage, computation, and real-time analytics. The integration of ethical considerations, including data privacy and compliance with global standards, ensures a holistic perspective on data management. Practical applications across healthcare, finance, marketing, and policy-making illustrate the real-world impact of these technologies. Through comprehensive case studies and Python-based implementations, this work equips researchers, practitioners, and data enthusiasts with the tools to navigate the complexities of modern data analytics. It bridges the gap between theory and practice, fostering the development of innovative solutions for managing and leveraging data in the era of artificial intelligence.

There is a compelling necessity from enterprises for fine tuning LLMs (Large Language Models) o get them trained on proprietary domain knowledge. The challenge is to imbibe the LLMs with domain specific knowledge using the most optimial resource and cost and in the best possible time. Many enterprises rely on RAG (Retrieval Augmented Generation) which does not need LLMs to be ine-tuned but they are limited by the quality of vector databases and their retrieval capabilities rather than the intrinsic capabilities of the LLMs themselves. In our current work we focus on fine tuning LLaMA, an open source LLM using proprietary documents and code from an enterprise repository and use the fine tuned models to evaluate the quality of responses. As part of this work, we aim to guide beginners on how to start with fine tuning an LLM for documentation and code by making educated guesses on size of GPU required and options that are available for formatting the data. We also propose pre processing recipes for both documentation and code to prepare dataset in different formats. The proposed methods of data preparation for document datasets are forming paragraph chunks, forming question and answer pairs and forming keyword and paragraph chunk pairs. For code dataset we propose forming summary and function pairs. Further, we qualitatively evaluate the results of the models for domain specific queries. Finally, we also propose practical guidelines and recommendations for fine tuning LLMs.

We have now entered the era of trillion parameter machine learning models trained on billion-sized datasets scraped from the internet. The rise of these gargantuan datasets has given rise to formidable bodies of critical work that has called for caution while generating these large datasets. These address concerns surrounding the dubious curation practices used to generate these datasets, the sordid quality of alt-text data available on the world wide web, the problematic content of the CommonCrawl dataset often used as a source for training large language models, and the entrenched biases in large-scale visio-linguistic models (such as OpenAI's CLIP model) trained on opaque datasets (WebImageText). In the backdrop of these specific calls of caution, we examine the recently released LAION-400M dataset, which is a CLIP-filtered dataset of Image-Alt-text pairs parsed from the Common-Crawl dataset. We found that the dataset contains, troublesome and explicit images and text pairs of rape, pornography, malign stereotypes, racist and ethnic slurs, and other extremely problematic content. We outline numerous implications, concerns and downstream harms regarding the current state of large scale datasets while raising open questions for various stakeholders including the AI community, regulators, policy makers and data subjects.

Large models represent a groundbreaking advancement in multiple application fields, enabling remarkable achievements across various tasks. However, their unprecedented scale comes with significant computational costs. These models, often consisting of billions of parameters, require vast amounts of computational resources for execution. Especially, the expansive scale and computational demands pose considerable challenges when customizing them for particular downstream tasks, particularly over the hardware platforms constrained by computational capabilities. Parameter Efficient Fine-Tuning (PEFT) provides a practical solution by efficiently adapt the large models over the various downstream tasks. In particular, PEFT refers to the process of adjusting the parameters of a pre-trained large models to adapt it to a specific task while minimizing the number of additional parameters introduced or computational resources required. This approach is particularly important when dealing with large language models with high parameter counts, as fine-tuning these models from scratch can be computationally expensive and resource-intensive, posing considerable challenges in the supporting system platform design. In this survey, we present comprehensive studies of various PEFT algorithms, examining their performance and computational overhead. Moreover, we provide an overview of applications developed using different PEFT algorithms and discuss common techniques employed to mitigate computation costs for PEFT. In addition to the algorithmic perspective, we overview various real-world system designs to investigate the implementation costs associated with different PEFT algorithms. This survey serves as an indispensable resource for researchers aiming to understand both the PEFT algorithm and its system implementation, offering detailed insights into recent advancements and practical applications.

Hyperbolic geometry is gaining traction in machine learning for its effectiveness at capturing hierarchical structures in real-world data. Hyperbolic spaces, where neighborhoods grow exponentially, offer substantial advantages and consistently deliver state-of-the-art results across diverse applications. However, hyperbolic classifiers often grapple with computational challenges. Methods reliant on Riemannian optimization frequently exhibit sluggishness, stemming from the increased computational demands of operations on Riemannian manifolds. In response to these challenges, we present hyperDT, a novel extension of decision tree algorithms into hyperbolic space. Crucially, hyperDT eliminates the need for computationally intensive Riemannian optimization, numerically unstable exponential and logarithmic maps, or pairwise comparisons between points by leveraging inner products to adapt Euclidean decision tree algorithms to hyperbolic space. Our approach is conceptually straightforward and maintains constant-time decision complexity while mitigating the scalability issues inherent in high-dimensional Euclidean spaces. Building upon hyperDT we introduce hyperRF, a hyperbolic random forest model. Extensive benchmarking across diverse datasets underscores the superior performance of these models, providing a swift, precise, accurate, and user-friendly toolkit for hyperbolic data analysis.

Due to the three-dimensional nature of CT- or MR-scans, generative modeling of medical images is a particularly challenging task. Existing approaches mostly apply patch-wise, slice-wise, or cascaded generation techniques to fit the high-dimensional data into the limited GPU memory. However, these approaches may introduce artifacts and potentially restrict the model's applicability for certain downstream tasks. This work presents WDM, a wavelet-based medical image synthesis framework that applies a diffusion model on wavelet decomposed images. The presented approach is a simple yet effective way of scaling diffusion models to high resolutions and can be trained on a single 40 GB GPU. Experimental results on BraTS and LIDC-IDRI unconditional image generation at a resolution of 128 times 128 times 128 show state-of-the-art image fidelity (FID) and sample diversity (MS-SSIM) scores compared to GANs, Diffusion Models, and Latent Diffusion Models. Our proposed method is the only one capable of generating high-quality images at a resolution of 256 times 256 times 256.

This paper carefully summarizes extensive and profound questions from all walks of life, focusing on the current high-profile AI field, covering multiple dimensions such as industry trends, academic research, technological innovation and business applications. This paper meticulously curates questions that are both thought-provoking and practically relevant, providing nuanced and insightful answers to each. To facilitate readers' understanding and reference, this paper specifically classifies and organizes these questions systematically and meticulously from the five core dimensions of computing power infrastructure, software architecture, data resources, application scenarios, and brain science. This work aims to provide readers with a comprehensive, in-depth and cutting-edge AI knowledge framework to help people from all walks of life grasp the pulse of AI development, stimulate innovative thinking, and promote industrial progress.

We introduce a Three-Dimensional Convolutional Variational Autoencoder (3D-CVAE) for automated anomaly detection in Electron Energy Loss Spectroscopy Spectrum Imaging (EELS-SI) data. Our approach leverages the full three-dimensional structure of EELS-SI data to detect subtle spectral anomalies while preserving both spatial and spectral correlations across the datacube. By employing negative log-likelihood loss and training on bulk spectra, the model learns to reconstruct bulk features characteristic of the defect-free material. In exploring methods for anomaly detection, we evaluated both our 3D-CVAE approach and Principal Component Analysis (PCA), testing their performance using Fe L-edge peak shifts designed to simulate material defects. Our results show that 3D-CVAE achieves superior anomaly detection and maintains consistent performance across various shift magnitudes. The method demonstrates clear bimodal separation between normal and anomalous spectra, enabling reliable classification. Further analysis verifies that lower dimensional representations are robust to anomalies in the data. While performance advantages over PCA diminish with decreasing anomaly concentration, our method maintains high reconstruction quality even in challenging, noise-dominated spectral regions. This approach provides a robust framework for unsupervised automated detection of spectral anomalies in EELS-SI data, particularly valuable for analyzing complex material systems.

When scaled to hundreds of billions of parameters, pretrained language models such as GPT-3 (Brown et al., 2020) achieve remarkable few-shot performance. However, enormous amounts of compute are required for training and applying such big models, resulting in a large carbon footprint and making it difficult for researchers and practitioners to use them. We show that performance similar to GPT-3 can be obtained with language models that are much "greener" in that their parameter count is several orders of magnitude smaller. This is achieved by converting textual inputs into cloze questions that contain a task description, combined with gradient-based optimization; exploiting unlabeled data gives further improvements. We identify key factors required for successful natural language understanding with small language models.

Image tokenizers form the foundation of modern text-to-image generative models but are notoriously difficult to train. Furthermore, most existing text-to-image models rely on large-scale, high-quality private datasets, making them challenging to replicate. In this work, we introduce Text-Aware Transformer-based 1-Dimensional Tokenizer (TA-TiTok), an efficient and powerful image tokenizer that can utilize either discrete or continuous 1-dimensional tokens. TA-TiTok uniquely integrates textual information during the tokenizer decoding stage (i.e., de-tokenization), accelerating convergence and enhancing performance. TA-TiTok also benefits from a simplified, yet effective, one-stage training process, eliminating the need for the complex two-stage distillation used in previous 1-dimensional tokenizers. This design allows for seamless scalability to large datasets. Building on this, we introduce a family of text-to-image Masked Generative Models (MaskGen), trained exclusively on open data while achieving comparable performance to models trained on private data. We aim to release both the efficient, strong TA-TiTok tokenizers and the open-data, open-weight MaskGen models to promote broader access and democratize the field of text-to-image masked generative models.

Embedding representations power machine intelligence in many applications, including recommendation systems, but they are space intensive -- potentially occupying hundreds of gigabytes in large-scale settings. To help manage this outsized memory consumption, we explore mixed dimension embeddings, an embedding layer architecture in which a particular embedding vector's dimension scales with its query frequency. Through theoretical analysis and systematic experiments, we demonstrate that using mixed dimensions can drastically reduce the memory usage, while maintaining and even improving the ML performance. Empirically, we show that the proposed mixed dimension layers improve accuracy by 0.1% using half as many parameters or maintain it using 16X fewer parameters for click-through rate prediction task on the Criteo Kaggle dataset.

The recent surge of Multimodal Large Language Models (MLLMs) has fundamentally reshaped the landscape of AI research and industry, shedding light on a promising path toward the next AI milestone. However, significant challenges remain preventing MLLMs from being practical in real-world applications. The most notable challenge comes from the huge cost of running an MLLM with a massive number of parameters and extensive computation. As a result, most MLLMs need to be deployed on high-performing cloud servers, which greatly limits their application scopes such as mobile, offline, energy-sensitive, and privacy-protective scenarios. In this work, we present MiniCPM-V, a series of efficient MLLMs deployable on end-side devices. By integrating the latest MLLM techniques in architecture, pretraining and alignment, the latest MiniCPM-Llama3-V 2.5 has several notable features: (1) Strong performance, outperforming GPT-4V-1106, Gemini Pro and Claude 3 on OpenCompass, a comprehensive evaluation over 11 popular benchmarks, (2) strong OCR capability and 1.8M pixel high-resolution image perception at any aspect ratio, (3) trustworthy behavior with low hallucination rates, (4) multilingual support for 30+ languages, and (5) efficient deployment on mobile phones. More importantly, MiniCPM-V can be viewed as a representative example of a promising trend: The model sizes for achieving usable (e.g., GPT-4V) level performance are rapidly decreasing, along with the fast growth of end-side computation capacity. This jointly shows that GPT-4V level MLLMs deployed on end devices are becoming increasingly possible, unlocking a wider spectrum of real-world AI applications in the near future.

Neural architecture search (NAS) has become increasingly popular in the deep learning community recently, mainly because it can provide an opportunity to allow interested users without rich expertise to benefit from the success of deep neural networks (DNNs). However, NAS is still laborious and time-consuming because a large number of performance estimations are required during the search process of NAS, and training DNNs is computationally intensive. To solve this major limitation of NAS, improving the computational efficiency is essential in the design of NAS. However, a systematic overview of computationally efficient NAS (CE-NAS) methods still lacks. To fill this gap, we provide a comprehensive survey of the state-of-the-art on CE-NAS by categorizing the existing work into proxy-based and surrogate-assisted NAS methods, together with a thorough discussion of their design principles and a quantitative comparison of their performances and computational complexities. The remaining challenges and open research questions are also discussed, and promising research topics in this emerging field are suggested.

Coding problems are problems that require a solution in the form of a computer program. Coding problems are popular among students and professionals as it enhances their skills and career opportunities. An AI system that would help those who practice coding problems would be highly useful and there is a huge potential for such a system. In this work, we propose a model which uses stacking of hyperparameter tuned boosting models to achieve impressive metric scores of 77.8% accuracy and 0.815 PR-AUC on the dataset that was scraped from Codeforces and Leetcode. We open source the dataset and the models developed for this work.

The VoxCeleb Speaker Recognition Challenges (VoxSRC) were a series of challenges and workshops that ran annually from 2019 to 2023. The challenges primarily evaluated the tasks of speaker recognition and diarisation under various settings including: closed and open training data; as well as supervised, self-supervised, and semi-supervised training for domain adaptation. The challenges also provided publicly available training and evaluation datasets for each task and setting, with new test sets released each year. In this paper, we provide a review of these challenges that covers: what they explored; the methods developed by the challenge participants and how these evolved; and also the current state of the field for speaker verification and diarisation. We chart the progress in performance over the five installments of the challenge on a common evaluation dataset and provide a detailed analysis of how each year's special focus affected participants' performance. This paper is aimed both at researchers who want an overview of the speaker recognition and diarisation field, and also at challenge organisers who want to benefit from the successes and avoid the mistakes of the VoxSRC challenges. We end with a discussion of the current strengths of the field and open challenges. Project page : https://mm.kaist.ac.kr/datasets/voxceleb/voxsrc/workshop.html

The ubiquity of large-scale Pre-Trained Models (PTMs) is on the rise, sparking interest in model hubs, and dedicated platforms for hosting PTMs. Despite this trend, a comprehensive exploration of the challenges that users encounter and how the community leverages PTMs remains lacking. To address this gap, we conducted an extensive mixed-methods empirical study by focusing on discussion forums and the model hub of HuggingFace, the largest public model hub. Based on our qualitative analysis, we present a taxonomy of the challenges and benefits associated with PTM reuse within this community. We then conduct a quantitative study to track model-type trends and model documentation evolution over time. Our findings highlight prevalent challenges such as limited guidance for beginner users, struggles with model output comprehensibility in training or inference, and a lack of model understanding. We also identified interesting trends among models where some models maintain high upload rates despite a decline in topics related to them. Additionally, we found that despite the introduction of model documentation tools, its quantity has not increased over time, leading to difficulties in model comprehension and selection among users. Our study sheds light on new challenges in reusing PTMs that were not reported before and we provide recommendations for various stakeholders involved in PTM reuse.

In this paper we address issues with image retrieval benchmarking on standard and popular Oxford 5k and Paris 6k datasets. In particular, annotation errors, the size of the dataset, and the level of challenge are addressed: new annotation for both datasets is created with an extra attention to the reliability of the ground truth. Three new protocols of varying difficulty are introduced. The protocols allow fair comparison between different methods, including those using a dataset pre-processing stage. For each dataset, 15 new challenging queries are introduced. Finally, a new set of 1M hard, semi-automatically cleaned distractors is selected. An extensive comparison of the state-of-the-art methods is performed on the new benchmark. Different types of methods are evaluated, ranging from local-feature-based to modern CNN based methods. The best results are achieved by taking the best of the two worlds. Most importantly, image retrieval appears far from being solved.

The use of graph neural networks has produced significant advances in point cloud problems, such as those found in high energy physics. The question of how to produce a graph structure in these problems is usually treated as a matter of heuristics, employing fully connected graphs or K-nearest neighbors. In this work, we elevate this question to utmost importance as the Topology Problem. We propose an attention mechanism that allows a graph to be constructed in a learned space that handles geometrically the flow of relevance, providing one solution to the Topology Problem. We test this architecture, called GravNetNorm, on the task of top jet tagging, and show that it is competitive in tagging accuracy, and uses far fewer computational resources than all other comparable models.

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.

Representations learned via self-supervised learning (SSL) can be susceptible to dimensional collapse, where the learned representation subspace is of extremely low dimensionality and thus fails to represent the full data distribution and modalities. Dimensional collapse also known as the "underfilling" phenomenon is one of the major causes of degraded performance on downstream tasks. Previous work has investigated the dimensional collapse problem of SSL at a global level. In this paper, we demonstrate that representations can span over high dimensional space globally, but collapse locally. To address this, we propose a method called local dimensionality regularization (LDReg). Our formulation is based on the derivation of the Fisher-Rao metric to compare and optimize local distance distributions at an asymptotically small radius for each data point. By increasing the local intrinsic dimensionality, we demonstrate through a range of experiments that LDReg improves the representation quality of SSL. The results also show that LDReg can regularize dimensionality at both local and global levels.

This work builds upon previous efforts in online incremental learning, namely the Incremental Gaussian Mixture Network (IGMN). The IGMN is capable of learning from data streams in a single-pass by improving its model after analyzing each data point and discarding it thereafter. Nevertheless, it suffers from the scalability point-of-view, due to its asymptotic time complexity of Obigl(NKD^3bigr) for N data points, K Gaussian components and D dimensions, rendering it inadequate for high-dimensional data. In this paper, we manage to reduce this complexity to Obigl(NKD^2bigr) by deriving formulas for working directly with precision matrices instead of covariance matrices. The final result is a much faster and scalable algorithm which can be applied to high dimensional tasks. This is confirmed by applying the modified algorithm to high-dimensional classification datasets.

In this paper, we illustrate how to fine-tune the entire Retrieval Augment Generation (RAG) architecture in an end-to-end manner. We highlighted the main engineering challenges that needed to be addressed to achieve this objective. We also compare how end-to-end RAG architecture outperforms the original RAG architecture for the task of question answering. We have open-sourced our implementation in the HuggingFace Transformers library.

The problem of Novel Class Discovery (NCD) consists in extracting knowledge from a labeled set of known classes to accurately partition an unlabeled set of novel classes. While NCD has recently received a lot of attention from the community, it is often solved on computer vision problems and under unrealistic conditions. In particular, the number of novel classes is usually assumed to be known in advance, and their labels are sometimes used to tune hyperparameters. Methods that rely on these assumptions are not applicable in real-world scenarios. In this work, we focus on solving NCD in tabular data when no prior knowledge of the novel classes is available. To this end, we propose to tune the hyperparameters of NCD methods by adapting the k-fold cross-validation process and hiding some of the known classes in each fold. Since we have found that methods with too many hyperparameters are likely to overfit these hidden classes, we define a simple deep NCD model. This method is composed of only the essential elements necessary for the NCD problem and performs impressively well under realistic conditions. Furthermore, we find that the latent space of this method can be used to reliably estimate the number of novel classes. Additionally, we adapt two unsupervised clustering algorithms (k-means and Spectral Clustering) to leverage the knowledge of the known classes. Extensive experiments are conducted on 7 tabular datasets and demonstrate the effectiveness of the proposed method and hyperparameter tuning process, and show that the NCD problem can be solved without relying on knowledge from the novel classes.

The evolution of Neural Machine Translation (NMT) has been significantly influenced by six core challenges (Koehn and Knowles, 2017), which have acted as benchmarks for progress in this field. This study revisits these challenges, offering insights into their ongoing relevance in the context of advanced Large Language Models (LLMs): domain mismatch, amount of parallel data, rare word prediction, translation of long sentences, attention model as word alignment, and sub-optimal beam search. Our empirical findings indicate that LLMs effectively lessen the reliance on parallel data for major languages in the pretraining phase. Additionally, the LLM-based translation system significantly enhances the translation of long sentences that contain approximately 80 words and shows the capability to translate documents of up to 512 words. However, despite these significant improvements, the challenges of domain mismatch and prediction of rare words persist. While the challenges of word alignment and beam search, specifically associated with NMT, may not apply to LLMs, we identify three new challenges for LLMs in translation tasks: inference efficiency, translation of low-resource languages in the pretraining phase, and human-aligned evaluation. The datasets and models are released at https://github.com/pangjh3/LLM4MT.

In this community review report, we discuss applications and techniques for fast machine learning (ML) in science -- the concept of integrating power ML methods into the real-time experimental data processing loop to accelerate scientific discovery. The material for the report builds on two workshops held by the Fast ML for Science community and covers three main areas: applications for fast ML across a number of scientific domains; techniques for training and implementing performant and resource-efficient ML algorithms; and computing architectures, platforms, and technologies for deploying these algorithms. We also present overlapping challenges across the multiple scientific domains where common solutions can be found. This community report is intended to give plenty of examples and inspiration for scientific discovery through integrated and accelerated ML solutions. This is followed by a high-level overview and organization of technical advances, including an abundance of pointers to source material, which can enable these breakthroughs.

We discover that DALLE-2 seems to have a hidden vocabulary that can be used to generate images with absurd prompts. For example, it seems that Apoploe vesrreaitais means birds and Contarra ccetnxniams luryca tanniounons (sometimes) means bugs or pests. We find that these prompts are often consistent in isolation but also sometimes in combinations. We present our black-box method to discover words that seem random but have some correspondence to visual concepts. This creates important security and interpretability challenges.

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

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.

Semantic representations of text, i.e. representations of natural language which capture meaning by geometry, are essential for areas such as information retrieval and document grouping. High-dimensional trained dense vectors have received much attention in recent years as such representations. We investigate the structure of semantic spaces that arise from embeddings made with Sentence-BERT and find that the representations suffer from a well-known problem in high dimensions called hubness. Hubness results in asymmetric neighborhood relations, such that some texts (the hubs) are neighbours of many other texts while most texts (so-called anti-hubs), are neighbours of few or no other texts. We quantify the semantic quality of the embeddings using hubness scores and error rate of a neighbourhood based classifier. We find that when hubness is high, we can reduce error rate and hubness using hubness reduction methods. We identify a combination of two methods as resulting in the best reduction. For example, on one of the tested pretrained models, this combined method can reduce hubness by about 75% and error rate by about 9%. Thus, we argue that mitigating hubness in the embedding space provides better semantic representations of text.

The burgeoning integration of 3D medical imaging into healthcare has led to a substantial increase in the workload of medical professionals. To assist clinicians in their diagnostic processes and alleviate their workload, the development of a robust system for retrieving similar case studies presents a viable solution. While the concept holds great promise, the field of 3D medical text-image retrieval is currently limited by the absence of robust evaluation benchmarks and curated datasets. To remedy this, our study presents a groundbreaking dataset, BIMCV-R (This dataset will be released upon acceptance.), which includes an extensive collection of 8,069 3D CT volumes, encompassing over 2 million slices, paired with their respective radiological reports. Expanding upon the foundational work of our dataset, we craft a retrieval strategy, MedFinder. This approach employs a dual-stream network architecture, harnessing the potential of large language models to advance the field of medical image retrieval beyond existing text-image retrieval solutions. It marks our preliminary step towards developing a system capable of facilitating text-to-image, image-to-text, and keyword-based retrieval tasks.

As Large Language Models (LLMs) continue to advance in their ability to write human-like text, a key challenge remains around their tendency to hallucinate generating content that appears factual but is ungrounded. This issue of hallucination is arguably the biggest hindrance to safely deploying these powerful LLMs into real-world production systems that impact people's lives. The journey toward widespread adoption of LLMs in practical settings heavily relies on addressing and mitigating hallucinations. Unlike traditional AI systems focused on limited tasks, LLMs have been exposed to vast amounts of online text data during training. While this allows them to display impressive language fluency, it also means they are capable of extrapolating information from the biases in training data, misinterpreting ambiguous prompts, or modifying the information to align superficially with the input. This becomes hugely alarming when we rely on language generation capabilities for sensitive applications, such as summarizing medical records, financial analysis reports, etc. This paper presents a comprehensive survey of over 32 techniques developed to mitigate hallucination in LLMs. Notable among these are Retrieval Augmented Generation (Lewis et al, 2021), Knowledge Retrieval (Varshney et al,2023), CoNLI (Lei et al, 2023), and CoVe (Dhuliawala et al, 2023). Furthermore, we introduce a detailed taxonomy categorizing these methods based on various parameters, such as dataset utilization, common tasks, feedback mechanisms, and retriever types. This classification helps distinguish the diverse approaches specifically designed to tackle hallucination issues in LLMs. Additionally, we analyze the challenges and limitations inherent in these techniques, providing a solid foundation for future research in addressing hallucinations and related phenomena within the realm of LLMs.

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 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.

The remarkable generative capabilities of diffusion models have motivated extensive research in both image and video editing. Compared to video editing which faces additional challenges in the time dimension, image editing has witnessed the development of more diverse, high-quality approaches and more capable software like Photoshop. In light of this gap, we introduce a novel and generic solution that extends the applicability of image editing tools to videos by propagating edits from a single frame to the entire video using a pre-trained image-to-video model. Our method, dubbed I2VEdit, adaptively preserves the visual and motion integrity of the source video depending on the extent of the edits, effectively handling global edits, local edits, and moderate shape changes, which existing methods cannot fully achieve. At the core of our method are two main processes: Coarse Motion Extraction to align basic motion patterns with the original video, and Appearance Refinement for precise adjustments using fine-grained attention matching. We also incorporate a skip-interval strategy to mitigate quality degradation from auto-regressive generation across multiple video clips. Experimental results demonstrate our framework's superior performance in fine-grained video editing, proving its capability to produce high-quality, temporally consistent outputs.

We present Habitat 3.0: a simulation platform for studying collaborative human-robot tasks in home environments. Habitat 3.0 offers contributions across three dimensions: (1) Accurate humanoid simulation: addressing challenges in modeling complex deformable bodies and diversity in appearance and motion, all while ensuring high simulation speed. (2) Human-in-the-loop infrastructure: enabling real human interaction with simulated robots via mouse/keyboard or a VR interface, facilitating evaluation of robot policies with human input. (3) Collaborative tasks: studying two collaborative tasks, Social Navigation and Social Rearrangement. Social Navigation investigates a robot's ability to locate and follow humanoid avatars in unseen environments, whereas Social Rearrangement addresses collaboration between a humanoid and robot while rearranging a scene. These contributions allow us to study end-to-end learned and heuristic baselines for human-robot collaboration in-depth, as well as evaluate them with humans in the loop. Our experiments demonstrate that learned robot policies lead to efficient task completion when collaborating with unseen humanoid agents and human partners that might exhibit behaviors that the robot has not seen before. Additionally, we observe emergent behaviors during collaborative task execution, such as the robot yielding space when obstructing a humanoid agent, thereby allowing the effective completion of the task by the humanoid agent. Furthermore, our experiments using the human-in-the-loop tool demonstrate that our automated evaluation with humanoids can provide an indication of the relative ordering of different policies when evaluated with real human collaborators. Habitat 3.0 unlocks interesting new features in simulators for Embodied AI, and we hope it paves the way for a new frontier of embodied human-AI interaction capabilities.

Auto-regressive models have achieved impressive results in 2D image generation by modeling joint distributions in grid space. In this paper, we extend auto-regressive models to 3D domains, and seek a stronger ability of 3D shape generation by improving auto-regressive models at capacity and scalability simultaneously. Firstly, we leverage an ensemble of publicly available 3D datasets to facilitate the training of large-scale models. It consists of a comprehensive collection of approximately 900,000 objects, with multiple properties of meshes, points, voxels, rendered images, and text captions. This diverse labeled dataset, termed Objaverse-Mix, empowers our model to learn from a wide range of object variations. However, directly applying 3D auto-regression encounters critical challenges of high computational demands on volumetric grids and ambiguous auto-regressive order along grid dimensions, resulting in inferior quality of 3D shapes. To this end, we then present a novel framework Argus3D in terms of capacity. Concretely, our approach introduces discrete representation learning based on a latent vector instead of volumetric grids, which not only reduces computational costs but also preserves essential geometric details by learning the joint distributions in a more tractable order. The capacity of conditional generation can thus be realized by simply concatenating various conditioning inputs to the latent vector, such as point clouds, categories, images, and texts. In addition, thanks to the simplicity of our model architecture, we naturally scale up our approach to a larger model with an impressive 3.6 billion parameters, further enhancing the quality of versatile 3D generation. Extensive experiments on four generation tasks demonstrate that Argus3D can synthesize diverse and faithful shapes across multiple categories, achieving remarkable performance.

The ability to plan actions on multiple levels of abstraction enables intelligent agents to solve complex tasks effectively. However, learning the models for both low and high-level planning from demonstrations has proven challenging, especially with higher-dimensional inputs. To address this issue, we propose to use reinforcement learning to identify subgoals in expert trajectories by associating the magnitude of the rewards with the predictability of low-level actions given the state and the chosen subgoal. We build a vector-quantized generative model for the identified subgoals to perform subgoal-level planning. In experiments, the algorithm excels at solving complex, long-horizon decision-making problems outperforming state-of-the-art. Because of its ability to plan, our algorithm can find better trajectories than the ones in the training set

When training large flexible models, practitioners often rely on grid search to select hyperparameters that control over-fitting. This grid search has several disadvantages: the search is computationally expensive, requires carving out a validation set that reduces the available data for training, and requires users to specify candidate values. In this paper, we propose an alternative: directly learning regularization hyperparameters on the full training set via the evidence lower bound ("ELBo") objective from variational methods. For deep neural networks with millions of parameters, we recommend a modified ELBo that upweights the influence of the data likelihood relative to the prior. Our proposed technique overcomes all three disadvantages of grid search. In a case study on transfer learning of image classifiers, we show how our method reduces the 88+ hour grid search of past work to under 3 hours while delivering comparable accuracy. We further demonstrate how our approach enables efficient yet accurate approximations of Gaussian processes with learnable length-scale kernels.

Large language models (LLMs) have attracted considerable attention in various fields for their cost-effective solutions to diverse challenges, especially with advancements in instruction tuning and quantization. E-commerce, with its complex tasks and extensive product-user interactions, presents a promising application area for LLMs. However, the domain-specific concepts and knowledge inherent in e-commerce pose significant challenges for adapting general LLMs. To address this issue, we developed EC-Guide https://github.com/fzp0424/EC-Guide-KDDUP-2024, a comprehensive e-commerce guide for instruction tuning and quantization of LLMs. We also heuristically integrated Chain-of-Thought (CoT) during inference to enhance arithmetic performance. Our approach achieved the 2nd place in Track 2 and 5th place in Track 5 at the Amazon KDD Cup'24 https://www.aicrowd.com/challenges/amazon-kdd-cup-2024-multi-task-online-shopping-challenge-for-llms. Additionally, our solution is model-agnostic, enabling effective scalability across larger systems.

The measure of a machine learning algorithm is the difficulty of the tasks it can perform, and sufficiently difficult tasks are critical drivers of strong machine learning models. However, quantifying the generalization difficulty of machine learning benchmarks has remained challenging. We propose what is to our knowledge the first model-agnostic measure of the inherent generalization difficulty of tasks. Our inductive bias complexity measure quantifies the total information required to generalize well on a task minus the information provided by the data. It does so by measuring the fractional volume occupied by hypotheses that generalize on a task given that they fit the training data. It scales exponentially with the intrinsic dimensionality of the space over which the model must generalize but only polynomially in resolution per dimension, showing that tasks which require generalizing over many dimensions are drastically more difficult than tasks involving more detail in fewer dimensions. Our measure can be applied to compute and compare supervised learning, reinforcement learning and meta-learning generalization difficulties against each other. We show that applied empirically, it formally quantifies intuitively expected trends, e.g. that in terms of required inductive bias, MNIST < CIFAR10 < Imagenet and fully observable Markov decision processes (MDPs) < partially observable MDPs. Further, we show that classification of complex images < few-shot meta-learning with simple images. Our measure provides a quantitative metric to guide the construction of more complex tasks requiring greater inductive bias, and thereby encourages the development of more sophisticated architectures and learning algorithms with more powerful generalization capabilities.

Major complications arise from the recent increase in the amount of high-dimensional data, including high computational costs and memory requirements. Feature selection, which identifies the most relevant and informative attributes of a dataset, has been introduced as a solution to this problem. Most of the existing feature selection methods are computationally inefficient; inefficient algorithms lead to high energy consumption, which is not desirable for devices with limited computational and energy resources. In this paper, a novel and flexible method for unsupervised feature selection is proposed. This method, named QuickSelection, introduces the strength of the neuron in sparse neural networks as a criterion to measure the feature importance. This criterion, blended with sparsely connected denoising autoencoders trained with the sparse evolutionary training procedure, derives the importance of all input features simultaneously. We implement QuickSelection in a purely sparse manner as opposed to the typical approach of using a binary mask over connections to simulate sparsity. It results in a considerable speed increase and memory reduction. When tested on several benchmark datasets, including five low-dimensional and three high-dimensional datasets, the proposed method is able to achieve the best trade-off of classification and clustering accuracy, running time, and maximum memory usage, among widely used approaches for feature selection. Besides, our proposed method requires the least amount of energy among the state-of-the-art autoencoder-based feature selection methods.

Text Normalization and Semantic Parsing have numerous applications in natural language processing, such as natural language programming, paraphrasing, data augmentation, constructing expert systems, text matching, and more. Despite the prominent achievements of deep learning in Large Language Models (LLMs), the interpretability of neural network architectures is still poor, which affects their credibility and hence limits the deployments of risk-sensitive scenarios. In certain scenario-specific domains with scarce data, rapidly obtaining a large number of supervised learning labels is challenging, and the workload of manually labeling data would be enormous. Catastrophic forgetting in neural networks further leads to low data utilization rates. In situations where swift responses are vital, the density of the model makes local deployment difficult and the response time long, which is not conducive to local applications of these fields. Inspired by the multiplication rule, a principle of combinatorial mathematics, and human thinking patterns, a multilayer framework along with its algorithm, the Digestion Algorithm in Hierarchical Symbolic Forests (DAHSF), is proposed to address these above issues, combining text normalization and semantic parsing workflows. The Chinese Scripting Language "Fire Bunny Intelligent Development Platform V2.0" is an important test and application of the technology discussed in this paper. DAHSF can run locally in scenario-specific domains on little datasets, with model size and memory usage optimized by at least two orders of magnitude, thus improving the execution speed, and possessing a promising optimization outlook.

We classify and re-examine some of the current approaches to improve the performance-computes trade-off of language models, including (1) non-causal models (such as masked language models), (2) extension of batch length with efficient attention, (3) recurrence, (4) conditional computation and (5) retrieval. We identify some limitations (1) - (4) suffer from. For example, (1) currently struggles with open-ended text generation with the output loosely constrained by the input as well as performing general textual tasks like GPT-2/3 due to its need for a specific fine-tuning dataset. (2) and (3) do not improve the prediction of the first sim 10^3 tokens. Scaling up a model size (e.g. efficiently with (4)) still results in poor performance scaling for some tasks. We argue (5) would resolve many of these limitations, and it can (a) reduce the amount of supervision and (b) efficiently extend the context over the entire training dataset and the entire past of the current sample. We speculate how to modify MARGE to perform unsupervised causal modeling that achieves (b) with the retriever jointly trained.

Latent factor models are the driving forces of the state-of-the-art recommender systems, with an important insight of vectorizing raw input features into dense embeddings. The dimensions of different feature embeddings are often set to a same value empirically, which limits the predictive performance of latent factor models. Existing works have proposed heuristic or reinforcement learning-based methods to search for mixed feature embedding dimensions. For efficiency concern, these methods typically choose embedding dimensions from a restricted set of candidate dimensions. However, this restriction will hurt the flexibility of dimension selection, leading to suboptimal performance of search results. In this paper, we propose Differentiable Neural Input Search (DNIS), a method that searches for mixed feature embedding dimensions in a more flexible space through continuous relaxation and differentiable optimization. The key idea is to introduce a soft selection layer that controls the significance of each embedding dimension, and optimize this layer according to model's validation performance. DNIS is model-agnostic and thus can be seamlessly incorporated with existing latent factor models for recommendation. We conduct experiments with various architectures of latent factor models on three public real-world datasets for rating prediction, Click-Through-Rate (CTR) prediction, and top-k item recommendation. The results demonstrate that our method achieves the best predictive performance compared with existing neural input search approaches with fewer embedding parameters and less time cost.

Auditing large language models for unexpected behaviors is critical to preempt catastrophic deployments, yet remains challenging. In this work, we cast auditing as an optimization problem, where we automatically search for input-output pairs that match a desired target behavior. For example, we might aim to find a non-toxic input that starts with "Barack Obama" that a model maps to a toxic output. This optimization problem is difficult to solve as the set of feasible points is sparse, the space is discrete, and the language models we audit are non-linear and high-dimensional. To combat these challenges, we introduce a discrete optimization algorithm, ARCA, that jointly and efficiently optimizes over inputs and outputs. Our approach automatically uncovers derogatory completions about celebrities (e.g. "Barack Obama is a legalized unborn" -> "child murderer"), produces French inputs that complete to English outputs, and finds inputs that generate a specific name. Our work offers a promising new tool to uncover models' failure-modes before deployment.

Interpretability in machine learning (ML) is crucial for high stakes decisions and troubleshooting. In this work, we provide fundamental principles for interpretable ML, and dispel common misunderstandings that dilute the importance of this crucial topic. We also identify 10 technical challenge areas in interpretable machine learning and provide history and background on each problem. Some of these problems are classically important, and some are recent problems that have arisen in the last few years. These problems are: (1) Optimizing sparse logical models such as decision trees; (2) Optimization of scoring systems; (3) Placing constraints into generalized additive models to encourage sparsity and better interpretability; (4) Modern case-based reasoning, including neural networks and matching for causal inference; (5) Complete supervised disentanglement of neural networks; (6) Complete or even partial unsupervised disentanglement of neural networks; (7) Dimensionality reduction for data visualization; (8) Machine learning models that can incorporate physics and other generative or causal constraints; (9) Characterization of the "Rashomon set" of good models; and (10) Interpretable reinforcement learning. This survey is suitable as a starting point for statisticians and computer scientists interested in working in interpretable machine learning.

We introduce GLM-130B, a bilingual (English and Chinese) pre-trained language model with 130 billion parameters. It is an attempt to open-source a 100B-scale model at least as good as GPT-3 and unveil how models of such a scale can be successfully pre-trained. Over the course of this effort, we face numerous unexpected technical and engineering challenges, particularly on loss spikes and disconvergence. In this paper, we introduce the training process of GLM-130B including its design choices, training strategies for both efficiency and stability, and engineering efforts. The resultant GLM-130B model offers significant outperformance over GPT-3 175B on a wide range of popular English benchmarks while the performance advantage is not observed in OPT-175B and BLOOM-176B. It also consistently and significantly outperforms ERNIE TITAN 3.0 260B -- the largest Chinese language model -- across related benchmarks. Finally, we leverage a unique scaling property of GLM-130B to reach INT4 quantization, without quantization aware training and with almost no performance loss, making it the first among 100B-scale models. More importantly, the property allows its effective inference on 4timesRTX 3090 (24G) or 8timesRTX 2080 Ti (11G) GPUs, the most ever affordable GPUs required for using 100B-scale models. The GLM-130B model weights are publicly accessible and its code, training logs, related toolkit, and lessons learned are open-sourced at https://github.com/THUDM/GLM-130B .

Given a set of dissimilarity measurements amongst data points, determining what metric representation is most "consistent" with the input measurements or the metric that best captures the relevant geometric features of the data is a key step in many machine learning algorithms. Existing methods are restricted to specific kinds of metrics or small problem sizes because of the large number of metric constraints in such problems. In this paper, we provide an active set algorithm, Project and Forget, that uses Bregman projections, to solve metric constrained problems with many (possibly exponentially) inequality constraints. We provide a theoretical analysis of Project and Forget and prove that our algorithm converges to the global optimal solution and that the L_2 distance of the current iterate to the optimal solution decays asymptotically at an exponential rate. We demonstrate that using our method we can solve large problem instances of three types of metric constrained problems: general weight correlation clustering, metric nearness, and metric learning; in each case, out-performing the state of the art methods with respect to CPU times and problem sizes.

Recent advances in large language models have demonstrated remarkable effectiveness in information retrieval (IR) tasks. While many neural IR systems encode queries and documents into single-vector representations, multi-vector models elevate the retrieval quality by producing multi-vector representations and facilitating similarity searches at the granularity of individual tokens. However, these models significantly amplify memory and storage requirements for retrieval indices by an order of magnitude. This escalation in index size renders the scalability of multi-vector IR models progressively challenging due to their substantial memory demands. We introduce Embedding from Storage Pipelined Network (ESPN) where we offload the entire re-ranking embedding tables to SSDs and reduce the memory requirements by 5-16x. We design a software prefetcher with hit rates exceeding 90%, improving SSD based retrieval up to 6.4x, and demonstrate that we can maintain near memory levels of query latency even for large query batch sizes.

Hyperparameter tuning of deep learning models can lead to order-of-magnitude performance gains for the same amount of compute. Despite this, systematic tuning is uncommon, particularly for large models, which are expensive to evaluate and tend to have many hyperparameters, necessitating difficult judgment calls about tradeoffs, budgets, and search bounds. To address these issues and propose a practical method for robustly tuning large models, we present Cost-Aware Pareto Region Bayesian Search (CARBS), a Bayesian optimization algorithm that performs local search around the performance-cost Pareto frontier. CARBS does well even in unbounded search spaces with many hyperparameters, learns scaling relationships so that it can tune models even as they are scaled up, and automates much of the "black magic" of tuning. Among our results, we effectively solve the entire ProcGen benchmark just by tuning a simple baseline (PPO, as provided in the original ProcGen paper). We also reproduce the model size vs. training tokens scaling result from the Chinchilla project (Hoffmann et al. 2022), while simultaneously discovering scaling laws for every other hyperparameter, via an easy automated process that uses significantly less compute and is applicable to any deep learning problem (not just language models).

Learnable embedding vector is one of the most important applications in machine learning, and is widely used in various database-related domains. However, the high dimensionality of sparse data in recommendation tasks and the huge volume of corpus in retrieval-related tasks lead to a large memory consumption of the embedding table, which poses a great challenge to the training and deployment of models. Recent research has proposed various methods to compress the embeddings at the cost of a slight decrease in model quality or the introduction of other overheads. Nevertheless, the relative performance of these methods remains unclear. Existing experimental comparisons only cover a subset of these methods and focus on limited metrics. In this paper, we perform a comprehensive comparative analysis and experimental evaluation of embedding compression. We introduce a new taxonomy that categorizes these techniques based on their characteristics and methodologies, and further develop a modular benchmarking framework that integrates 14 representative methods. Under a uniform test environment, our benchmark fairly evaluates each approach, presents their strengths and weaknesses under different memory budgets, and recommends the best method based on the use case. In addition to providing useful guidelines, our study also uncovers the limitations of current methods and suggests potential directions for future research.

Given that Large Language Models (LLMs) have made significant progress in writing code, can they now be used to autonomously reproduce results from research repositories? Such a capability would be a boon to the research community, helping researchers validate, understand, and extend prior work. To advance towards this goal, we introduce SUPER, the first benchmark designed to evaluate the capability of LLMs in setting up and executing tasks from research repositories. SUPERaims to capture the realistic challenges faced by researchers working with Machine Learning (ML) and Natural Language Processing (NLP) research repositories. Our benchmark comprises three distinct problem sets: 45 end-to-end problems with annotated expert solutions, 152 sub problems derived from the expert set that focus on specific challenges (e.g., configuring a trainer), and 602 automatically generated problems for larger-scale development. We introduce various evaluation measures to assess both task success and progress, utilizing gold solutions when available or approximations otherwise. We show that state-of-the-art approaches struggle to solve these problems with the best model (GPT-4o) solving only 16.3% of the end-to-end set, and 46.1% of the scenarios. This illustrates the challenge of this task, and suggests that SUPER can serve as a valuable resource for the community to make and measure progress.

With the continuous and vast increase in the amount of data in our digital world, it has been acknowledged that the number of knowledgeable data scientists can not scale to address these challenges. Thus, there was a crucial need for automating the process of building good machine learning models. In the last few years, several techniques and frameworks have been introduced to tackle the challenge of automating the process of Combined Algorithm Selection and Hyper-parameter tuning (CASH) in the machine learning domain. The main aim of these techniques is to reduce the role of the human in the loop and fill the gap for non-expert machine learning users by playing the role of the domain expert. In this paper, we present a comprehensive survey for the state-of-the-art efforts in tackling the CASH problem. In addition, we highlight the research work of automating the other steps of the full complex machine learning pipeline (AutoML) from data understanding till model deployment. Furthermore, we provide comprehensive coverage for the various tools and frameworks that have been introduced in this domain. Finally, we discuss some of the research directions and open challenges that need to be addressed in order to achieve the vision and goals of the AutoML process.

This paper presents a novel approach for similarity search with complex filtering capabilities on billion-scale datasets, optimized for CPU inference. Our method extends the classical IVF-Flat index structure to integrate multi-dimensional filters. The proposed algorithm combines dense embeddings with discrete filtering attributes, enabling fast retrieval in high-dimensional spaces. Designed specifically for CPU-based systems, our disk-based approach offers a cost-effective solution for large-scale similarity search. We demonstrate the effectiveness of our method through a case study, showcasing its potential for various practical uses.

Bank credit risk is a significant challenge in modern financial transactions, and the ability to identify qualified credit card holders among a large number of applicants is crucial for the profitability of a bank'sbank's credit card business. In the past, screening applicants'applicants' conditions often required a significant amount of manual labor, which was time-consuming and labor-intensive. Although the accuracy and reliability of previously used ML models have been continuously improving, the pursuit of more reliable and powerful AI intelligent models is undoubtedly the unremitting pursuit by major banks in the financial industry. In this study, we used a dataset of over 40,000 records provided by a commercial bank as the research object. We compared various dimensionality reduction techniques such as PCA and T-SNE for preprocessing high-dimensional datasets and performed in-depth adaptation and tuning of distributed models such as LightGBM and XGBoost, as well as deep models like Tabnet. After a series of research and processing, we obtained excellent research results by combining SMOTEENN with these techniques. The experiments demonstrated that LightGBM combined with PCA and SMOTEENN techniques can assist banks in accurately predicting potential high-quality customers, showing relatively outstanding performance compared to other models.

The rapid advancement of large language models (LLMs) has significantly impacted various domains, including healthcare and biomedicine. However, the phenomenon of hallucination, where LLMs generate outputs that deviate from factual accuracy or context, poses a critical challenge, especially in high-stakes domains. This paper conducts a scoping study of existing techniques for mitigating hallucinations in knowledge-based task in general and especially for medical domains. Key methods covered in the paper include Retrieval-Augmented Generation (RAG)-based techniques, iterative feedback loops, supervised fine-tuning, and prompt engineering. These techniques, while promising in general contexts, require further adaptation and optimization for the medical domain due to its unique demands for up-to-date, specialized knowledge and strict adherence to medical guidelines. Addressing these challenges is crucial for developing trustworthy AI systems that enhance clinical decision-making and patient safety as well as accuracy of biomedical scientific research.

The rapid advancement of large models, driven by their exceptional abilities in learning and generalization through large-scale pre-training, has reshaped the landscape of Artificial Intelligence (AI). These models are now foundational to a wide range of applications, including conversational AI, recommendation systems, autonomous driving, content generation, medical diagnostics, and scientific discovery. However, their widespread deployment also exposes them to significant safety risks, raising concerns about robustness, reliability, and ethical implications. This survey provides a systematic review of current safety research on large models, covering Vision Foundation Models (VFMs), Large Language Models (LLMs), Vision-Language Pre-training (VLP) models, Vision-Language Models (VLMs), Diffusion Models (DMs), and large-model-based Agents. Our contributions are summarized as follows: (1) We present a comprehensive taxonomy of safety threats to these models, including adversarial attacks, data poisoning, backdoor attacks, jailbreak and prompt injection attacks, energy-latency attacks, data and model extraction attacks, and emerging agent-specific threats. (2) We review defense strategies proposed for each type of attacks if available and summarize the commonly used datasets and benchmarks for safety research. (3) Building on this, we identify and discuss the open challenges in large model safety, emphasizing the need for comprehensive safety evaluations, scalable and effective defense mechanisms, and sustainable data practices. More importantly, we highlight the necessity of collective efforts from the research community and international collaboration. Our work can serve as a useful reference for researchers and practitioners, fostering the ongoing development of comprehensive defense systems and platforms to safeguard AI models.

As the number of open and shared scientific datasets on the Internet increases under the open science movement, efficiently retrieving these datasets is a crucial task in information retrieval (IR) research. In recent years, the development of large models, particularly the pre-training and fine-tuning paradigm, which involves pre-training on large models and fine-tuning on downstream tasks, has provided new solutions for IR match tasks. In this study, we use the original BERT token in the embedding layer, improve the Sentence-BERT model structure in the model layer by introducing the SimCSE and K-Nearest Neighbors method, and use the cosent loss function in the optimization phase to optimize the target output. Our experimental results show that our model outperforms other competing models on both public and self-built datasets through comparative experiments and ablation implementations. This study explores and validates the feasibility and efficiency of pre-training techniques for semantic retrieval of Chinese scientific datasets.

The infrastructure necessary for training state-of-the-art models is becoming overly expensive, which makes training such models affordable only to large corporations and institutions. Recent work proposes several methods for training such models collaboratively, i.e., by pooling together hardware from many independent parties and training a shared model over the Internet. In this demonstration, we collaboratively trained a text-to-image transformer similar to OpenAI DALL-E. We invited the viewers to join the ongoing training run, showing them instructions on how to contribute using the available hardware. We explained how to address the engineering challenges associated with such a training run (slow communication, limited memory, uneven performance between devices, and security concerns) and discussed how the viewers can set up collaborative training runs themselves. Finally, we show that the resulting model generates images of reasonable quality on a number of prompts.

Large language models (LLMs) have demonstrated remarkable success as foundational models, benefiting various downstream applications through fine-tuning. Recent studies on loss scaling have demonstrated the superior performance of larger LLMs compared to their smaller counterparts. Nevertheless, training LLMs with billions of parameters poses significant challenges and requires considerable computational resources. For example, training a one trillion parameter GPT-style model on 20 trillion tokens requires a staggering 120 million exaflops of computation. This research explores efficient distributed training strategies to extract this computation from Frontier, the world's first exascale supercomputer dedicated to open science. We enable and investigate various model and data parallel training techniques, such as tensor parallelism, pipeline parallelism, and sharded data parallelism, to facilitate training a trillion-parameter model on Frontier. We empirically assess these techniques and their associated parameters to determine their impact on memory footprint, communication latency, and GPU's computational efficiency. We analyze the complex interplay among these techniques and find a strategy to combine them to achieve high throughput through hyperparameter tuning. We have identified efficient strategies for training large LLMs of varying sizes through empirical analysis and hyperparameter tuning. For 22 Billion, 175 Billion, and 1 Trillion parameters, we achieved GPU throughputs of 38.38%, 36.14%, and 31.96%, respectively. For the training of the 175 Billion parameter model and the 1 Trillion parameter model, we achieved 100% weak scaling efficiency on 1024 and 3072 MI250X GPUs, respectively. We also achieved strong scaling efficiencies of 89% and 87% for these two models.

The Airbnb search system grapples with many unique challenges as it continues to evolve. We oversee a marketplace that is nuanced by geography, diversity of homes, and guests with a variety of preferences. Crafting an efficient search system that can accommodate diverse guest needs, while showcasing relevant homes lies at the heart of Airbnb's success. Airbnb search has many challenges that parallel other recommendation and search systems but it has a unique information retrieval problem, upstream of ranking, called location retrieval. It requires defining a topological map area that is relevant to the searched query for homes listing retrieval. The purpose of this paper is to demonstrate the methodology, challenges, and impact of building a machine learning based location retrieval product from the ground up. Despite the lack of suitable, prevalent machine learning based approaches, we tackle cold start, generalization, differentiation and algorithmic bias. We detail the efficacy of heuristics, statistics, machine learning, and reinforcement learning approaches to solve these challenges, particularly for systems that are often unexplored by current literature.

Scientific research faces high costs and inefficiencies with traditional methods, but the rise of deep learning and large language models (LLMs) offers innovative solutions. This survey reviews LLM applications across scientific fields such as biology, medicine, chemistry, and meteorology, underscoring their role in advancing research. However, the continuous expansion of model size has led to significant memory demands, hindering further development and application of LLMs for science. To address this, we review memory-efficient training techniques for LLMs based on the transformer architecture, including distributed training, mixed precision training, and gradient checkpointing. Using AlphaFold 2 as an example, we demonstrate how tailored memory optimization methods can reduce storage needs while preserving prediction accuracy. We also discuss the challenges of memory optimization in practice and potential future directions, hoping to provide valuable insights for researchers and engineers.

The ImageNet Large Scale Visual Recognition Challenge is a benchmark in object category classification and detection on hundreds of object categories and millions of images. The challenge has been run annually from 2010 to present, attracting participation from more than fifty institutions. This paper describes the creation of this benchmark dataset and the advances in object recognition that have been possible as a result. We discuss the challenges of collecting large-scale ground truth annotation, highlight key breakthroughs in categorical object recognition, provide a detailed analysis of the current state of the field of large-scale image classification and object detection, and compare the state-of-the-art computer vision accuracy with human accuracy. We conclude with lessons learned in the five years of the challenge, and propose future directions and improvements.

The increasing interest in Large Language Models (LLMs) within the telecommunications sector underscores their potential to revolutionize operational efficiency. However, the deployment of these sophisticated models is often hampered by their substantial size and computational demands, raising concerns about their viability in resource-constrained environments. Addressing this challenge, recent advancements have seen the emergence of small language models that surprisingly exhibit performance comparable to their larger counterparts in many tasks, such as coding and common-sense reasoning. Phi-2, a compact yet powerful model, exemplifies this new wave of efficient small language models. This paper conducts a comprehensive evaluation of Phi-2's intrinsic understanding of the telecommunications domain. Recognizing the scale-related limitations, we enhance Phi-2's capabilities through a Retrieval-Augmented Generation approach, meticulously integrating an extensive knowledge base specifically curated with telecom standard specifications. The enhanced Phi-2 model demonstrates a profound improvement in accuracy, answering questions about telecom standards with a precision that closely rivals the more resource-intensive GPT-3.5. The paper further explores the refined capabilities of Phi-2 in addressing problem-solving scenarios within the telecom sector, highlighting its potential and limitations.

Recent breakthroughs in large models have highlighted the critical significance of data scale, labels and modals. In this paper, we introduce MS MARCO Web Search, the first large-scale information-rich web dataset, featuring millions of real clicked query-document labels. This dataset closely mimics real-world web document and query distribution, provides rich information for various kinds of downstream tasks and encourages research in various areas, such as generic end-to-end neural indexer models, generic embedding models, and next generation information access system with large language models. MS MARCO Web Search offers a retrieval benchmark with three web retrieval challenge tasks that demand innovations in both machine learning and information retrieval system research domains. As the first dataset that meets large, real and rich data requirements, MS MARCO Web Search paves the way for future advancements in AI and system research. MS MARCO Web Search dataset is available at: https://github.com/microsoft/MS-MARCO-Web-Search.

We need billion-scale images to achieve more generalizable and ground-breaking vision models, as well as massive dataset storage to ship the images (e.g., the LAION-4B dataset needs 240TB storage space). However, it has become challenging to deal with unlimited dataset storage with limited storage infrastructure. A number of storage-efficient training methods have been proposed to tackle the problem, but they are rarely scalable or suffer from severe damage to performance. In this paper, we propose a storage-efficient training strategy for vision classifiers for large-scale datasets (e.g., ImageNet) that only uses 1024 tokens per instance without using the raw level pixels; our token storage only needs <1% of the original JPEG-compressed raw pixels. We also propose token augmentations and a Stem-adaptor module to make our approach able to use the same architecture as pixel-based approaches with only minimal modifications on the stem layer and the carefully tuned optimization settings. Our experimental results on ImageNet-1k show that our method significantly outperforms other storage-efficient training methods with a large gap. We further show the effectiveness of our method in other practical scenarios, storage-efficient pre-training, and continual learning. Code is available at https://github.com/naver-ai/seit

In this report, we introduce Piccolo2, an embedding model that surpasses other models in the comprehensive evaluation over 6 tasks on CMTEB benchmark, setting a new state-of-the-art. Piccolo2 primarily leverages an efficient multi-task hybrid loss training approach, effectively harnessing textual data and labels from diverse downstream tasks. In addition, Piccolo2 scales up the embedding dimension and uses MRL training to support more flexible vector dimensions. The latest information of piccolo models can be accessed via: https://huggingface.co/sensenova/

Large Language Models (LLMs) have shown the potential to revolutionize natural language processing tasks in various domains, sparking great interest in vertical-specific large models. However, unlike proprietary models such as BloombergGPT and FinGPT, which have leveraged their unique data accumulations to make strides in the finance domain, there hasn't not many similar large language models in the Chinese legal domain to facilitate its digital transformation. In this paper, we propose an open-source legal large language model named ChatLaw. Due to the importance of data quality, we carefully designed a legal domain fine-tuning dataset. Additionally, to overcome the problem of model hallucinations in legal data screening during reference data retrieval, we introduce a method that combines vector database retrieval with keyword retrieval to effectively reduce the inaccuracy of relying solely on vector database retrieval. Furthermore, we propose a self-attention method to enhance the ability of large models to overcome errors present in reference data, further optimizing the issue of model hallucinations at the model level and improving the problem-solving capabilities of large models. We also open-sourced our model and part of the data at https://github.com/PKU-YuanGroup/ChatLaw.

Despite excellent average-case performance of many image classifiers, their performance can substantially deteriorate on semantically coherent subgroups of the data that were under-represented in the training data. These systematic errors can impact both fairness for demographic minority groups as well as robustness and safety under domain shift. A major challenge is to identify such subgroups with subpar performance when the subgroups are not annotated and their occurrence is very rare. We leverage recent advances in text-to-image models and search in the space of textual descriptions of subgroups ("prompts") for subgroups where the target model has low performance on the prompt-conditioned synthesized data. To tackle the exponentially growing number of subgroups, we employ combinatorial testing. We denote this procedure as PromptAttack as it can be interpreted as an adversarial attack in a prompt space. We study subgroup coverage and identifiability with PromptAttack in a controlled setting and find that it identifies systematic errors with high accuracy. Thereupon, we apply PromptAttack to ImageNet classifiers and identify novel systematic errors on rare subgroups.

Learning in weight spaces, where neural networks process the weights of other deep neural networks, has emerged as a promising research direction with applications in various fields, from analyzing and editing neural fields and implicit neural representations, to network pruning and quantization. Recent works designed architectures for effective learning in that space, which takes into account its unique, permutation-equivariant, structure. Unfortunately, so far these architectures suffer from severe overfitting and were shown to benefit from large datasets. This poses a significant challenge because generating data for this learning setup is laborious and time-consuming since each data sample is a full set of network weights that has to be trained. In this paper, we address this difficulty by investigating data augmentations for weight spaces, a set of techniques that enable generating new data examples on the fly without having to train additional input weight space elements. We first review several recently proposed data augmentation schemes %that were proposed recently and divide them into categories. We then introduce a novel augmentation scheme based on the Mixup method. We evaluate the performance of these techniques on existing benchmarks as well as new benchmarks we generate, which can be valuable for future studies.

A major factor in the recent success of large language models is the use of enormous and ever-growing text datasets for unsupervised pre-training. However, naively training a model on all available data may not be optimal (or feasible), as the quality of available text data can vary. Filtering out data can also decrease the carbon footprint and financial costs of training models by reducing the amount of training required. Data selection methods aim to determine which candidate data points to include in the training dataset and how to appropriately sample from the selected data points. The promise of improved data selection methods has caused the volume of research in the area to rapidly expand. However, because deep learning is mostly driven by empirical evidence and experimentation on large-scale data is expensive, few organizations have the resources for extensive data selection research. Consequently, knowledge of effective data selection practices has become concentrated within a few organizations, many of which do not openly share their findings and methodologies. To narrow this gap in knowledge, we present a comprehensive review of existing literature on data selection methods and related research areas, providing a taxonomy of existing approaches. By describing the current landscape of research, this work aims to accelerate progress in data selection by establishing an entry point for new and established researchers. Additionally, throughout this review we draw attention to noticeable holes in the literature and conclude the paper by proposing promising avenues for future research.

Many specialized domains remain untouched by deep learning, as large labeled datasets require expensive expert annotators. We address this bottleneck within the legal domain by introducing the Contract Understanding Atticus Dataset (CUAD), a new dataset for legal contract review. CUAD was created with dozens of legal experts from The Atticus Project and consists of over 13,000 annotations. The task is to highlight salient portions of a contract that are important for a human to review. We find that Transformer models have nascent performance, but that this performance is strongly influenced by model design and training dataset size. Despite these promising results, there is still substantial room for improvement. As one of the only large, specialized NLP benchmarks annotated by experts, CUAD can serve as a challenging research benchmark for the broader NLP community.

We present MEGA-Bench, an evaluation suite that scales multimodal evaluation to over 500 real-world tasks, to address the highly heterogeneous daily use cases of end users. Our objective is to optimize for a set of high-quality data samples that cover a highly diverse and rich set of multimodal tasks, while enabling cost-effective and accurate model evaluation. In particular, we collected 505 realistic tasks encompassing over 8,000 samples from 16 expert annotators to extensively cover the multimodal task space. Instead of unifying these problems into standard multi-choice questions (like MMMU, MMBench, and MMT-Bench), we embrace a wide range of output formats like numbers, phrases, code, \LaTeX, coordinates, JSON, free-form, etc. To accommodate these formats, we developed over 40 metrics to evaluate these tasks. Unlike existing benchmarks, MEGA-Bench offers a fine-grained capability report across multiple dimensions (e.g., application, input type, output format, skill), allowing users to interact with and visualize model capabilities in depth. We evaluate a wide variety of frontier vision-language models on MEGA-Bench to understand their capabilities across these dimensions.

Clustering is a NP-hard problem. Thus, no optimal algorithm exists, heuristics are applied to cluster the data. Heuristics can be very resource-intensive, if not applied properly. For substantially large data sets computational efficiencies can be achieved by reducing the input space if a minimal loss of information can be achieved. Clustering algorithms, in general, face two common problems: 1) these converge to different settings with different initial conditions and; 2) the number of clusters has to be arbitrarily decided beforehand. This problem has become critical in the realm of big data. Recently, clustering algorithms have emerged which can speedup computations using parallel processing over the grid but face the aforementioned problems. Goals: Our goals are to find methods to cluster data which: 1) guarantee convergence to the same settings irrespective of the initial conditions; 2) eliminate the need to establish the number of clusters beforehand, and 3) can be applied to cluster large datasets. Methods: We introduce a method that combines probabilistic and combinatorial clustering methods to produce repeatable and compact clusters that are not sensitive to initial conditions. This method harnesses the power of k-means (a combinatorial clustering method) to cluster/partition very large dimensional datasets and uses the Gaussian Mixture Model (a probabilistic clustering method) to validate the k-means partitions. Results: We show that this method produces very compact clusters that are not sensitive to initial conditions. This method can be used to identify the most 'separable' set in a dataset which increases the 'clusterability' of a dataset. This method also eliminates the need to specify the number of clusters in advance.

Long-range tasks require reasoning over long inputs. Existing solutions either need large compute budgets, training data, access to model weights, or use complex, task-specific approaches. We present PRISM, which alleviates these concerns by processing information as a stream of chunks, maintaining a structured in-context memory specified by a typed hierarchy schema. This approach demonstrates superior performance to baselines on diverse tasks while using at least 4x smaller contexts than long-context models. Moreover, PRISM is token-efficient. By producing short outputs and efficiently leveraging key-value (KV) caches, it achieves up to 54% cost reduction when compared to alternative short-context approaches. The method also scales down to tiny information chunks (e.g., 500 tokens) without increasing the number of tokens encoded or sacrificing quality. Furthermore, we show that it is possible to generate schemas to generalize our approach to new tasks with minimal effort.

Although AI systems have been applied in various fields and achieved impressive performance, their safety and reliability are still a big concern. This is especially important for safety-critical tasks. One shared characteristic of these critical tasks is their risk sensitivity, where small mistakes can cause big consequences and even endanger life. There are several factors that could be guidelines for the successful deployment of AI systems in sensitive tasks: (i) failure detection and out-of-distribution (OOD) detection; (ii) overfitting identification; (iii) uncertainty quantification for predictions; (iv) robustness to data perturbations. These factors are also challenges of current AI systems, which are major blocks for building safe and reliable AI. Specifically, the current AI algorithms are unable to identify common causes for failure detection. Furthermore, additional techniques are required to quantify the quality of predictions. All these contribute to inaccurate uncertainty quantification, which lowers trust in predictions. Hence obtaining accurate model uncertainty quantification and its further improvement are challenging. To address these issues, many techniques have been proposed, such as regularization methods and learning strategies. As vision and language are the most typical data type and have many open source benchmark datasets, this thesis will focus on vision-language data processing for tasks like classification, image captioning, and vision question answering. In this thesis, we aim to build a safeguard by further developing current techniques to ensure the accurate model uncertainty for safety-critical tasks.

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.

A promising application of AI to healthcare is the retrieval of information from electronic health records (EHRs), e.g. to aid clinicians in finding relevant information for a consultation or to recruit suitable patients for a study. This requires search capabilities far beyond simple string matching, including the retrieval of concepts (diagnoses, symptoms, medications, etc.) related to the one in question. The suitability of AI methods for such applications is tested by predicting the relatedness of concepts with known relatedness scores. However, all existing biomedical concept relatedness datasets are notoriously small and consist of hand-picked concept pairs. We open-source a novel concept relatedness benchmark overcoming these issues: it is six times larger than existing datasets and concept pairs are chosen based on co-occurrence in EHRs, ensuring their relevance for the application of interest. We present an in-depth analysis of our new dataset and compare it to existing ones, highlighting that it is not only larger but also complements existing datasets in terms of the types of concepts included. Initial experiments with state-of-the-art embedding methods show that our dataset is a challenging new benchmark for testing concept relatedness models.

Software that contains machine learning algorithms is an integral part of automotive perception, for example, in driving automation systems. The development of such software, specifically the training and validation of the machine learning components, require large annotated datasets. An industry of data and annotation services has emerged to serve the development of such data-intensive automotive software components. Wide-spread difficulties to specify data and annotation needs challenge collaborations between OEMs (Original Equipment Manufacturers) and their suppliers of software components, data, and annotations. This paper investigates the reasons for these difficulties for practitioners in the Swedish automotive industry to arrive at clear specifications for data and annotations. The results from an interview study show that a lack of effective metrics for data quality aspects, ambiguities in the way of working, unclear definitions of annotation quality, and deficits in the business ecosystems are causes for the difficulty in deriving the specifications. We provide a list of recommendations that can mitigate challenges when deriving specifications and we propose future research opportunities to overcome these challenges. Our work contributes towards the on-going research on accountability of machine learning as applied to complex software systems, especially for high-stake applications such as automated driving.

We give an overview of recent developments in the modeling of radiowave propagation, based on machine learning algorithms. We identify the input and output specification and the architecture of the model as the main challenges associated with machine learning-driven propagation models. Relevant papers are discussed and categorized based on their approach to each of these challenges. Emphasis is given on presenting the prospects and open problems in this promising and rapidly evolving area.

Training large neural language models on large datasets is resource- and time-intensive. These requirements create a barrier to entry, where those with fewer resources cannot build competitive models. This paper presents various techniques for making it possible to (a) train a large language model using resources that a modest research lab might have, and (b) train it in a reasonable amount of time. We provide concrete recommendations for practitioners, which we illustrate with a case study: a T5 model for Danish, the first for this language.

This paper offers a new perspective to ease the challenge of domain generalization, which involves maintaining robust results even in unseen environments. Our design focuses on the decision-making process in the final classifier layer. Specifically, we propose treating the element-wise contributions to the final results as the rationale for making a decision and representing the rationale for each sample as a matrix. For a well-generalized model, we suggest the rationale matrices for samples belonging to the same category should be similar, indicating the model relies on domain-invariant clues to make decisions, thereby ensuring robust results. To implement this idea, we introduce a rationale invariance loss as a simple regularization technique, requiring only a few lines of code. Our experiments demonstrate that the proposed approach achieves competitive results across various datasets, despite its simplicity. Code is available at https://github.com/liangchen527/RIDG.

Pre-training (PT) followed by fine-tuning (FT) is an effective method for training neural networks, and has led to significant performance improvements in many domains. PT can incorporate various design choices such as task and data reweighting strategies, augmentation policies, and noise models, all of which can significantly impact the quality of representations learned. The hyperparameters introduced by these strategies therefore must be tuned appropriately. However, setting the values of these hyperparameters is challenging. Most existing methods either struggle to scale to high dimensions, are too slow and memory-intensive, or cannot be directly applied to the two-stage PT and FT learning process. In this work, we propose an efficient, gradient-based algorithm to meta-learn PT hyperparameters. We formalize the PT hyperparameter optimization problem and propose a novel method to obtain PT hyperparameter gradients by combining implicit differentiation and backpropagation through unrolled optimization. We demonstrate that our method improves predictive performance on two real-world domains. First, we optimize high-dimensional task weighting hyperparameters for multitask pre-training on protein-protein interaction graphs and improve AUROC by up to 3.9%. Second, we optimize a data augmentation neural network for self-supervised PT with SimCLR on electrocardiography data and improve AUROC by up to 1.9%.

Long-context language models (LCLM), characterized by their extensive context window, is becoming increasingly popular. Meanwhile, many long-context benchmarks present challenging tasks that even the most advanced LCLMs struggle to complete. However, the underlying sources of various challenging long-context tasks have seldom been studied. To bridge this gap, we conduct experiments to indicate their difficulty stems primarily from two basic issues: "multi-matching retrieval," which requires the simultaneous retrieval of multiple items, and "logic-based retrieval," which necessitates logical judgment within retrieval criteria. These two problems, while seemingly straightforward, actually exceed the capabilities of LCLMs because they are proven to be hyper-multi-step (demanding numerous steps to solve) in nature. This finding could explain why LLMs struggle with more advanced long-context tasks, providing a more accurate perspective for rethinking solutions for them.

This survey explores the synergistic potential of Large Language Models (LLMs) and Vector Databases (VecDBs), a burgeoning but rapidly evolving research area. With the proliferation of LLMs comes a host of challenges, including hallucinations, outdated knowledge, prohibitive commercial application costs, and memory issues. VecDBs emerge as a compelling solution to these issues by offering an efficient means to store, retrieve, and manage the high-dimensional vector representations intrinsic to LLM operations. Through this nuanced review, we delineate the foundational principles of LLMs and VecDBs and critically analyze their integration's impact on enhancing LLM functionalities. This discourse extends into a discussion on the speculative future developments in this domain, aiming to catalyze further research into optimizing the confluence of LLMs and VecDBs for advanced data handling and knowledge extraction capabilities.

Mechanistic Interpretability (MI) promises a path toward fully understanding how neural networks make their predictions. Prior work demonstrates that even when trained to perform simple arithmetic, models can implement a variety of algorithms (sometimes concurrently) depending on initialization and hyperparameters. Does this mean neuron-level interpretability techniques have limited applicability? We argue that high-dimensional neural networks can learn low-dimensional representations of their training data that are useful beyond simply making good predictions. Such representations can be understood through the mechanistic interpretability lens and provide insights that are surprisingly faithful to human-derived domain knowledge. This indicates that such approaches to interpretability can be useful for deriving a new understanding of a problem from models trained to solve it. As a case study, we extract nuclear physics concepts by studying models trained to reproduce nuclear data.

Large foundation models, including large language models (LLMs), vision transformers (ViTs), diffusion, and LLM-based multimodal models, are revolutionizing the entire machine learning lifecycle, from training to deployment. However, the substantial advancements in versatility and performance these models offer come at a significant cost in terms of hardware resources. To support the growth of these large models in a scalable and environmentally sustainable way, there has been a considerable focus on developing resource-efficient strategies. This survey delves into the critical importance of such research, examining both algorithmic and systemic aspects. It offers a comprehensive analysis and valuable insights gleaned from existing literature, encompassing a broad array of topics from cutting-edge model architectures and training/serving algorithms to practical system designs and implementations. The goal of this survey is to provide an overarching understanding of how current approaches are tackling the resource challenges posed by large foundation models and to potentially inspire future breakthroughs in this field.

The discovery of novel materials and functional molecules can help to solve some of society's most urgent challenges, ranging from efficient energy harvesting and storage to uncovering novel pharmaceutical drug candidates. Traditionally matter engineering -- generally denoted as inverse design -- was based massively on human intuition and high-throughput virtual screening. The last few years have seen the emergence of significant interest in computer-inspired designs based on evolutionary or deep learning methods. The major challenge here is that the standard strings molecular representation SMILES shows substantial weaknesses in that task because large fractions of strings do not correspond to valid molecules. Here, we solve this problem at a fundamental level and introduce SELFIES (SELF-referencIng Embedded Strings), a string-based representation of molecules which is 100\% robust. Every SELFIES string corresponds to a valid molecule, and SELFIES can represent every molecule. SELFIES can be directly applied in arbitrary machine learning models without the adaptation of the models; each of the generated molecule candidates is valid. In our experiments, the model's internal memory stores two orders of magnitude more diverse molecules than a similar test with SMILES. Furthermore, as all molecules are valid, it allows for explanation and interpretation of the internal working of the generative models.

Scientific discovery is a complex cognitive process that has driven human knowledge and technological progress for centuries. While artificial intelligence (AI) has made significant advances in automating aspects of scientific reasoning, simulation, and experimentation, we still lack integrated AI systems capable of performing autonomous long-term scientific research and discovery. This paper examines the current state of AI for scientific discovery, highlighting recent progress in large language models and other AI techniques applied to scientific tasks. We then outline key challenges and promising research directions toward developing more comprehensive AI systems for scientific discovery, including the need for science-focused AI agents, improved benchmarks and evaluation metrics, multimodal scientific representations, and unified frameworks combining reasoning, theorem proving, and data-driven modeling. Addressing these challenges could lead to transformative AI tools to accelerate progress across disciplines towards scientific discovery.

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

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

Two different approaches exist to handle missing values for prediction: either imputation, prior to fitting any predictive algorithms, or dedicated methods able to natively incorporate missing values. While imputation is widely (and easily) use, it is unfortunately biased when low-capacity predictors (such as linear models) are applied afterward. However, in practice, naive imputation exhibits good predictive performance. In this paper, we study the impact of imputation in a high-dimensional linear model with MCAR missing data. We prove that zero imputation performs an implicit regularization closely related to the ridge method, often used in high-dimensional problems. Leveraging on this connection, we establish that the imputation bias is controlled by a ridge bias, which vanishes in high dimension. As a predictor, we argue in favor of the averaged SGD strategy, applied to zero-imputed data. We establish an upper bound on its generalization error, highlighting that imputation is benign in the d sqrt n regime. Experiments illustrate our findings.

A major challenge in structured prediction is to represent the interdependencies within output structures. When outputs are structured as sequences, linear-chain conditional random fields (CRFs) are a widely used model class which can learn local dependencies in the output. However, the CRF's Markov assumption makes it impossible for CRFs to represent distributions with nonlocal dependencies, and standard CRFs are unable to respect nonlocal constraints of the data (such as global arity constraints on output labels). We present a generalization of CRFs that can enforce a broad class of constraints, including nonlocal ones, by specifying the space of possible output structures as a regular language L. The resulting regular-constrained CRF (RegCCRF) has the same formal properties as a standard CRF, but assigns zero probability to all label sequences not in L. Notably, RegCCRFs can incorporate their constraints during training, while related models only enforce constraints during decoding. We prove that constrained training is never worse than constrained decoding, and show empirically that it can be substantially better in practice. Additionally, we demonstrate a practical benefit on downstream tasks by incorporating a RegCCRF into a deep neural model for semantic role labeling, exceeding state-of-the-art results on a standard dataset.

In domains with high stakes such as law, recruitment, and healthcare, learning models frequently rely on sensitive user data for inference, necessitating the complete set of features. This not only poses significant privacy risks for individuals but also demands substantial human effort from organizations to verify information accuracy. This paper asks whether it is necessary to use all input features for accurate predictions at inference time. The paper demonstrates that, in a personalized setting, individuals may only need to disclose a small subset of their features without compromising decision-making accuracy. The paper also provides an efficient sequential algorithm to determine the appropriate attributes for each individual to provide. Evaluations across various learning tasks show that individuals can potentially report as little as 10\% of their information while maintaining the same accuracy level as a model that employs the full set of user information.

The rapid progress of Transformers in artificial intelligence has come at the cost of increased resource consumption and greenhouse gas emissions due to growing model sizes. Prior work suggests using pretrained small models to improve training efficiency, but this approach may not be suitable for new model structures. On the other hand, training from scratch can be slow, and progressively stacking layers often fails to achieve significant acceleration. To address these challenges, we propose a novel method called Apollo, which prepares lessons for expanding operations by learning high-layer functionality during training of low layers. Our approach involves low-value-prioritized sampling (LVPS) to train different depths and weight sharing to facilitate efficient expansion. We also introduce an interpolation method for stable model depth extension. Experiments demonstrate that Apollo achieves state-of-the-art acceleration ratios, even rivaling methods using pretrained models, making it a universal and efficient solution for training deep models while reducing time, financial, and environmental costs.

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

Maps are fundamental medium to visualize and represent the real word in a simple and 16 philosophical way. The emergence of the 3rd wave information has made a proportion of maps are available to be generated ubiquitously, which would significantly enrich the dimensions and perspectives to understand the characteristics of the real world. However, a majority of map dataset have never been discovered, acquired and effectively used, and the map data used in many applications might not be completely fitted for the authentic demands of these applications. This challenge is emerged due to the lack of numerous well-labelled benchmark datasets for implementing the deep learning approaches into identifying complicated map content. Thus, we develop a large-scale benchmark dataset that includes well-labelled dataset for map text annotation recognition, map scene classification, map super-resolution reconstruction, and map style transferring. Furthermore, these well-labelled datasets would facilitate the state-of-the-art machine intelligence technologies to conduct map feature detection, map pattern recognition and map content retrieval. We hope our efforts would be useful for AI-enhanced cartographical applications.

We introduce RealKIE, a benchmark of five challenging datasets aimed at advancing key information extraction methods, with an emphasis on enterprise applications. The datasets include a diverse range of documents including SEC S1 Filings, US Non-disclosure Agreements, UK Charity Reports, FCC Invoices, and Resource Contracts. Each presents unique challenges: poor text serialization, sparse annotations in long documents, and complex tabular layouts. These datasets provide a realistic testing ground for key information extraction tasks like investment analysis and legal data processing. In addition to presenting these datasets, we offer an in-depth description of the annotation process, document processing techniques, and baseline modeling approaches. This contribution facilitates the development of NLP models capable of handling practical challenges and supports further research into information extraction technologies applicable to industry-specific problems. The annotated data and OCR outputs are available to download at https://indicodatasolutions.github.io/RealKIE/ code to reproduce the baselines will be available shortly.

Combinatorial optimization (CO) problems are often NP-hard and thus out of reach for exact algorithms, making them a tempting domain to apply machine learning methods. The highly structured constraints in these problems can hinder either optimization or sampling directly in the solution space. On the other hand, GFlowNets have recently emerged as a powerful machinery to efficiently sample from composite unnormalized densities sequentially and have the potential to amortize such solution-searching processes in CO, as well as generate diverse solution candidates. In this paper, we design Markov decision processes (MDPs) for different combinatorial problems and propose to train conditional GFlowNets to sample from the solution space. Efficient training techniques are also developed to benefit long-range credit assignment. Through extensive experiments on a variety of different CO tasks with synthetic and realistic data, we demonstrate that GFlowNet policies can efficiently find high-quality solutions.

Large datasets underlying much of current machine learning raise serious issues concerning inappropriate content such as offensive, insulting, threatening, or might otherwise cause anxiety. This calls for increased dataset documentation, e.g., using datasheets. They, among other topics, encourage to reflect on the composition of the datasets. So far, this documentation, however, is done manually and therefore can be tedious and error-prone, especially for large image datasets. Here we ask the arguably "circular" question of whether a machine can help us reflect on inappropriate content, answering Question 16 in Datasheets. To this end, we propose to use the information stored in pre-trained transformer models to assist us in the documentation process. Specifically, prompt-tuning based on a dataset of socio-moral values steers CLIP to identify potentially inappropriate content, therefore reducing human labor. We then document the inappropriate images found using word clouds, based on captions generated using a vision-language model. The documentations of two popular, large-scale computer vision datasets -- ImageNet and OpenImages -- produced this way suggest that machines can indeed help dataset creators to answer Question 16 on inappropriate image content.

Hypernetworks, or hypernets in short, are neural networks that generate weights for another neural network, known as the target network. They have emerged as a powerful deep learning technique that allows for greater flexibility, adaptability, dynamism, faster training, information sharing, and model compression etc. Hypernets have shown promising results in a variety of deep learning problems, including continual learning, causal inference, transfer learning, weight pruning, uncertainty quantification, zero-shot learning, natural language processing, and reinforcement learning etc. Despite their success across different problem settings, currently, there is no review available to inform the researchers about the developments and to help in utilizing hypernets. To fill this gap, we review the progress in hypernets. We present an illustrative example to train deep neural networks using hypernets and propose categorizing hypernets based on five design criteria as inputs, outputs, variability of inputs and outputs, and architecture of hypernets. We also review applications of hypernets across different deep learning problem settings, followed by a discussion of general scenarios where hypernets can be effectively employed. Finally, we discuss the challenges and future directions that remain under-explored in the field of hypernets. We believe that hypernetworks have the potential to revolutionize the field of deep learning. They offer a new way to design and train neural networks, and they have the potential to improve the performance of deep learning models on a variety of tasks. Through this review, we aim to inspire further advancements in deep learning through hypernetworks.

The impressive capabilities of Large Language Models (LLMs) across diverse tasks are now well-established, yet their effective deployment necessitates careful hyperparameter optimization. Through extensive empirical studies involving grid searches across diverse configurations, we discover universal scaling laws governing these hyperparameters: optimal learning rate follows a power-law relationship with both model parameters and data sizes, while optimal batch size scales primarily with data sizes. Our analysis reveals a convex optimization landscape for hyperparameters under fixed models and data size conditions. This convexity implies an optimal hyperparameter plateau. We contribute a universal, plug-and-play optimal hyperparameter tool for the community. Its estimated values on the test set are merely 0.07\% away from the globally optimal LLM performance found via an exhaustive search. These laws demonstrate remarkable robustness across variations in model sparsity, training data distribution, and model shape. To our best known, this is the first work that unifies different model shapes and structures, such as Mixture-of-Experts models and dense transformers, as well as establishes optimal hyperparameter scaling laws across diverse data distributions. This exhaustive optimization process demands substantial computational resources, utilizing nearly one million NVIDIA H800 GPU hours to train 3,700 LLMs of varying sizes and hyperparameters from scratch and consuming approximately 100 trillion tokens in total. To facilitate reproducibility and further research, we will progressively release all loss measurements and model checkpoints through our designated repository https://step-law.github.io/

High Recall Retrieval (HRR), such as eDiscovery and medical systematic review, is a search problem that optimizes the cost of retrieving most relevant documents in a given collection. Iterative approaches, such as iterative relevance feedback and uncertainty sampling, are shown to be effective under various operational scenarios. Despite neural models demonstrating success in other text-related tasks, linear models such as logistic regression, in general, are still more effective and efficient in HRR since the model is trained and retrieves documents from the same fixed collection. In this work, we leverage SPLADE, an efficient retrieval model that transforms documents into contextualized sparse vectors, for HRR. Our approach combines the best of both worlds, leveraging both the contextualization from pretrained language models and the efficiency of linear models. It reduces 10% and 18% of the review cost in two HRR evaluation collections under a one-phase review workflow with a target recall of 80%. The experiment is implemented with TARexp and is available at https://github.com/eugene-yang/LSR-for-TAR.

The surprising ability of Large Language Models (LLMs) to perform well on complex reasoning with only few-shot chain-of-thought prompts is believed to emerge only in very large-scale models (100+ billion parameters). We show that such abilities can, in fact, be distilled down from GPT-3.5 (ge 175B) to T5 variants (le 11B). We propose model specialization, to specialize the model's ability towards a target task. The hypothesis is that large models (commonly viewed as larger than 100B) have strong modeling power, but are spread on a large spectrum of tasks. Small models (commonly viewed as smaller than 10B) have limited model capacity, but if we concentrate their capacity on a specific target task, the model can achieve a decent improved performance. We use multi-step math reasoning as our testbed because it is a very typical emergent ability. We show two important aspects of model abilities: (1). there exists a very complex balance/ tradeoff between language models' multi-dimensional abilities; (2). by paying the price of decreased generic ability, we can clearly lift up the scaling curve of models smaller than 10B towards a specialized multi-step math reasoning ability. We further give comprehensive discussions about important design choices for better generalization, including the tuning data format, the start model checkpoint, and a new model selection method. We hope our practice and discoveries can serve as an important attempt towards specialized smaller models in the new research paradigm set by LLMs.

Hierarchical text classification (HTC) is the task of assigning labels to a text within a structured space organized as a hierarchy. Recent works treat HTC as a conventional multilabel classification problem, therefore evaluating it as such. We instead propose to evaluate models based on specifically designed hierarchical metrics and we demonstrate the intricacy of metric choice and prediction inference method. We introduce a new challenging dataset and we evaluate fairly, recent sophisticated models, comparing them with a range of simple but strong baselines, including a new theoretically motivated loss. Finally, we show that those baselines are very often competitive with the latest models. This highlights the importance of carefully considering the evaluation methodology when proposing new methods for HTC. Code implementation and dataset are available at https://github.com/RomanPlaud/revisitingHTC.

Modern machine learning relies on datasets to develop and validate research ideas. Given the growth of publicly available data, finding the right dataset to use is increasingly difficult. Any research question imposes explicit and implicit constraints on how well a given dataset will enable researchers to answer this question, such as dataset size, modality, and domain. We operationalize the task of recommending datasets given a short natural language description of a research idea, to help people find relevant datasets for their needs. Dataset recommendation poses unique challenges as an information retrieval problem; datasets are hard to directly index for search and there are no corpora readily available for this task. To facilitate this task, we build the DataFinder Dataset which consists of a larger automatically-constructed training set (17.5K queries) and a smaller expert-annotated evaluation set (392 queries). Using this data, we compare various information retrieval algorithms on our test set and present a superior bi-encoder retriever for text-based dataset recommendation. This system, trained on the DataFinder Dataset, finds more relevant search results than existing third-party dataset search engines. To encourage progress on dataset recommendation, we release our dataset and models to the public.

The recent breakthrough successes in machine learning are mainly attributed to scale: namely large-scale attention-based architectures and datasets of unprecedented scale. This paper investigates the impact of training at scale for chess. Unlike traditional chess engines that rely on complex heuristics, explicit search, or a combination of both, we train a 270M parameter transformer model with supervised learning on a dataset of 10 million chess games. We annotate each board in the dataset with action-values provided by the powerful Stockfish 16 engine, leading to roughly 15 billion data points. Our largest model reaches a Lichess blitz Elo of 2895 against humans, and successfully solves a series of challenging chess puzzles, without any domain-specific tweaks or explicit search algorithms. We also show that our model outperforms AlphaZero's policy and value networks (without MCTS) and GPT-3.5-turbo-instruct. A systematic investigation of model and dataset size shows that strong chess performance only arises at sufficient scale. To validate our results, we perform an extensive series of ablations of design choices and hyperparameters.

In recent years, deep neural networks have been successful in both industry and academia, especially for computer vision tasks. The great success of deep learning is mainly due to its scalability to encode large-scale data and to maneuver billions of model parameters. However, it is a challenge to deploy these cumbersome deep models on devices with limited resources, e.g., mobile phones and embedded devices, not only because of the high computational complexity but also the large storage requirements. To this end, a variety of model compression and acceleration techniques have been developed. As a representative type of model compression and acceleration, knowledge distillation effectively learns a small student model from a large teacher model. It has received rapid increasing attention from the community. This paper provides a comprehensive survey of knowledge distillation from the perspectives of knowledge categories, training schemes, teacher-student architecture, distillation algorithms, performance comparison and applications. Furthermore, challenges in knowledge distillation are briefly reviewed and comments on future research are discussed and forwarded.

Utilizing large language models (LLMs) for transforming natural language questions into SQL queries (text-to-SQL) is a promising yet challenging approach, particularly when applied to real-world databases with complex and extensive schemas. In particular, effectively incorporating data catalogs and database values for SQL generation remains an obstacle, leading to suboptimal solutions. We address this problem by proposing a new pipeline that effectively retrieves relevant data and context, selects an efficient schema, and synthesizes correct and efficient SQL queries. To increase retrieval precision, our pipeline introduces a hierarchical retrieval method leveraging model-generated keywords, locality-sensitive hashing indexing, and vector databases. Additionally, we have developed an adaptive schema pruning technique that adjusts based on the complexity of the problem and the model's context size. Our approach generalizes to both frontier proprietary models like GPT-4 and open-source models such as Llama-3-70B. Through a series of ablation studies, we demonstrate the effectiveness of each component of our pipeline and its impact on the end-to-end performance. Our method achieves new state-of-the-art performance on the cross-domain challenging BIRD dataset.

Hyperdimensional computing (HD), also known as vector symbolic architectures (VSA), is a framework for computing with distributed representations by exploiting properties of random high-dimensional vector spaces. The commitment of the scientific community to aggregate and disseminate research in this particularly multidisciplinary area has been fundamental for its advancement. Joining these efforts, we present Torchhd, a high-performance open source Python library for HD/VSA. Torchhd seeks to make HD/VSA more accessible and serves as an efficient foundation for further research and application development. The easy-to-use library builds on top of PyTorch and features state-of-the-art HD/VSA functionality, clear documentation, and implementation examples from well-known publications. Comparing publicly available code with their corresponding Torchhd implementation shows that experiments can run up to 100x faster. Torchhd is available at: https://github.com/hyperdimensional-computing/torchhd.

Production deployments in complex systems require ML architectures to be highly efficient and usable against multiple tasks. Particularly demanding are classification problems in which data arrives in a streaming fashion and each class is presented separately. Recent methods with stochastic gradient learning have been shown to struggle in such setups or have limitations like memory buffers, and being restricted to specific domains that disable its usage in real-world scenarios. For this reason, we present a fully differentiable architecture based on the Mixture of Experts model, that enables the training of high-performance classifiers when examples from each class are presented separately. We conducted exhaustive experiments that proved its applicability in various domains and ability to learn online in production environments. The proposed technique achieves SOTA results without a memory buffer and clearly outperforms the reference methods.

Pretraining large language models (LLMs) is resource-intensive, often requiring months of training time even with high-end GPU clusters. There are two approaches of mitigating such computational demands: reusing smaller models to train larger ones (upcycling), and training computationally efficient models like mixture-of-experts (MoE). In this paper, we study the upcycling of LLMs to MoE models, of which the scaling behavior remains underexplored. Through extensive experiments, we identify empirical scaling laws that describe how performance depends on dataset size and model configuration. Particularly, we show that, while scaling these factors improves performance, there is a novel interaction term between the dense and upcycled training dataset that limits the efficiency of upcycling at large computational budgets. Based on these findings, we provide guidance to scale upcycling, and establish conditions under which upcycling outperforms from-scratch trainings within budget constraints.

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

Medical research generates a large number of publications with the PubMed database already containing >35 million research articles. Integration of the knowledge scattered across this large body of literature could provide key insights into physiological mechanisms and disease processes leading to novel medical interventions. However, it is a great challenge for researchers to utilize this information in full since the scale and complexity of the data greatly surpasses human processing abilities. This becomes especially problematic in cases of extreme urgency like the COVID-19 pandemic. Automated text mining can help extract and connect information from the large body of medical research articles. The first step in text mining is typically the identification of specific classes of keywords (e.g., all protein or disease names), so called Named Entity Recognition (NER). Here we present an end-to-end pipeline for NER of typical entities found in medical research articles, including diseases, cells, chemicals, genes/proteins, and species. The pipeline can access and process large medical research article collections (PubMed, CORD-19) or raw text and incorporates a series of deep learning models fine-tuned on the HUNER corpora collection. In addition, the pipeline can perform dictionary-based NER related to COVID-19 and other medical topics. Users can also load their own NER models and dictionaries to include additional entities. The output consists of publication-ready ranked lists and graphs of detected entities and files containing the annotated texts. An associated script allows rapid inspection of the results for specific entities of interest. As model use cases, the pipeline was deployed on two collections of autophagy-related abstracts from PubMed and on the CORD19 dataset, a collection of 764 398 research article abstracts related to COVID-19.

We present Spacerini, a modular framework for seamless building and deployment of interactive search applications, designed to facilitate the qualitative analysis of large scale research datasets. Spacerini integrates features from both the Pyserini toolkit and the Hugging Face ecosystem to ease the indexing text collections and deploy them as search engines for ad-hoc exploration and to make the retrieval of relevant data points quick and efficient. The user-friendly interface enables searching through massive datasets in a no-code fashion, making Spacerini broadly accessible to anyone looking to qualitatively audit their text collections. This is useful both to IR~researchers aiming to demonstrate the capabilities of their indexes in a simple and interactive way, and to NLP~researchers looking to better understand and audit the failure modes of large language models. The framework is open source and available on GitHub: https://github.com/castorini/hf-spacerini, and includes utilities to load, pre-process, index, and deploy local and web search applications. A portfolio of applications created with Spacerini for a multitude of use cases can be found by visiting https://hf.co/spacerini.

Many AI companies are training their large language models (LLMs) on data without the permission of the copyright owners. The permissibility of doing so varies by jurisdiction: in countries like the EU and Japan, this is allowed under certain restrictions, while in the United States, the legal landscape is more ambiguous. Regardless of the legal status, concerns from creative producers have led to several high-profile copyright lawsuits, and the threat of litigation is commonly cited as a reason for the recent trend towards minimizing the information shared about training datasets by both corporate and public interest actors. This trend in limiting data information causes harm by hindering transparency, accountability, and innovation in the broader ecosystem by denying researchers, auditors, and impacted individuals access to the information needed to understand AI models. While this could be mitigated by training language models on open access and public domain data, at the time of writing, there are no such models (trained at a meaningful scale) due to the substantial technical and sociological challenges in assembling the necessary corpus. These challenges include incomplete and unreliable metadata, the cost and complexity of digitizing physical records, and the diverse set of legal and technical skills required to ensure relevance and responsibility in a quickly changing landscape. Building towards a future where AI systems can be trained on openly licensed data that is responsibly curated and governed requires collaboration across legal, technical, and policy domains, along with investments in metadata standards, digitization, and fostering a culture of openness.

Sparse autoencoders have recently produced dictionaries of high-dimensional vectors corresponding to the universe of concepts represented by large language models. We find that this concept universe has interesting structure at three levels: 1) The "atomic" small-scale structure contains "crystals" whose faces are parallelograms or trapezoids, generalizing well-known examples such as (man-woman-king-queen). We find that the quality of such parallelograms and associated function vectors improves greatly when projecting out global distractor directions such as word length, which is efficiently done with linear discriminant analysis. 2) The "brain" intermediate-scale structure has significant spatial modularity; for example, math and code features form a "lobe" akin to functional lobes seen in neural fMRI images. We quantify the spatial locality of these lobes with multiple metrics and find that clusters of co-occurring features, at coarse enough scale, also cluster together spatially far more than one would expect if feature geometry were random. 3) The "galaxy" scale large-scale structure of the feature point cloud is not isotropic, but instead has a power law of eigenvalues with steepest slope in middle layers. We also quantify how the clustering entropy depends on the layer.

Training large-scale models under given resources requires careful design of parallelism strategies. In particular, the efficiency notion of critical batch size (CBS), concerning the compromise between time and compute, marks the threshold beyond which greater data parallelism leads to diminishing returns. To operationalize it, we propose a measure of CBS and pre-train a series of auto-regressive language models, ranging from 85 million to 1.2 billion parameters, on the C4 dataset. Through extensive hyper-parameter sweeps and careful control of factors such as batch size, momentum, and learning rate along with its scheduling, we systematically investigate the impact of scale on CBS. Then we fit scaling laws with respect to model and data sizes to decouple their effects. Overall, our results demonstrate that CBS scales primarily with data size rather than model size, a finding we justify theoretically through the analysis of infinite-width limits of neural networks and infinite-dimensional least squares regression. Of independent interest, we highlight the importance of common hyper-parameter choices and strategies for studying large-scale pre-training beyond fixed training durations.

Accessibility is a major challenge of machine learning (ML). Typical ML models are built by specialists and require specialized hardware/software as well as ML experience to validate. This makes it challenging for non-technical collaborators and endpoint users (e.g. physicians) to easily provide feedback on model development and to gain trust in ML. The accessibility challenge also makes collaboration more difficult and limits the ML researcher's exposure to realistic data and scenarios that occur in the wild. To improve accessibility and facilitate collaboration, we developed an open-source Python package, Gradio, which allows researchers to rapidly generate a visual interface for their ML models. Gradio makes accessing any ML model as easy as sharing a URL. Our development of Gradio is informed by interviews with a number of machine learning researchers who participate in interdisciplinary collaborations. Their feedback identified that Gradio should support a variety of interfaces and frameworks, allow for easy sharing of the interface, allow for input manipulation and interactive inference by the domain expert, as well as allow embedding the interface in iPython notebooks. We developed these features and carried out a case study to understand Gradio's usefulness and usability in the setting of a machine learning collaboration between a researcher and a cardiologist.

Popularized by the Differentiable Search Index, the emerging paradigm of generative retrieval re-frames the classic information retrieval problem into a sequence-to-sequence modeling task, forgoing external indices and encoding an entire document corpus within a single Transformer. Although many different approaches have been proposed to improve the effectiveness of generative retrieval, they have only been evaluated on document corpora on the order of 100k in size. We conduct the first empirical study of generative retrieval techniques across various corpus scales, ultimately scaling up to the entire MS MARCO passage ranking task with a corpus of 8.8M passages and evaluating model sizes up to 11B parameters. We uncover several findings about scaling generative retrieval to millions of passages; notably, the central importance of using synthetic queries as document representations during indexing, the ineffectiveness of existing proposed architecture modifications when accounting for compute cost, and the limits of naively scaling model parameters with respect to retrieval performance. While we find that generative retrieval is competitive with state-of-the-art dual encoders on small corpora, scaling to millions of passages remains an important and unsolved challenge. We believe these findings will be valuable for the community to clarify the current state of generative retrieval, highlight the unique challenges, and inspire new research directions.

DARTS search space (DSS) has become a canonical benchmark for NAS whereas some emerging works pointed out the issue of narrow accuracy range and claimed it would hurt the method ranking. We observe some recent studies already suffer from this issue that overshadows the meaning of scores. In this work, we first propose and orchestrate a suite of improvements to frame a larger and harder DSS, termed LHD, while retaining high efficiency in search. We step forward to renovate a LHD-based new benchmark, taking care of both discernibility and accessibility. Specifically, we re-implement twelve baselines and evaluate them across twelve conditions by combining two underexpolored influential factors: transductive robustness and discretization policy, to reasonably construct a benchmark upon multi-condition evaluation. Considering that the tabular benchmarks are always insufficient to adequately evaluate the methods of neural architecture search (NAS), our work can serve as a crucial basis for the future progress of NAS. https://github.com/chaoji90/LHD

Complex prediction models such as deep learning are the output from fitting machine learning, neural networks, or AI models to a set of training data. These are now standard tools in science. A key challenge with the current generation of models is that they are highly parameterized, which makes describing and interpreting the prediction strategies difficult. We use topological data analysis to transform these complex prediction models into pictures representing a topological view. The result is a map of the predictions that enables inspection. The methods scale up to large datasets across different domains and enable us to detect labeling errors in training data, understand generalization in image classification, and inspect predictions of likely pathogenic mutations in the BRCA1 gene.

In deep learning, performance is strongly affected by the choice of architecture and hyperparameters. While there has been extensive work on automatic hyperparameter optimization for simple spaces, complex spaces such as the space of deep architectures remain largely unexplored. As a result, the choice of architecture is done manually by the human expert through a slow trial and error process guided mainly by intuition. In this paper we describe a framework for automatically designing and training deep models. We propose an extensible and modular language that allows the human expert to compactly represent complex search spaces over architectures and their hyperparameters. The resulting search spaces are tree-structured and therefore easy to traverse. Models can be automatically compiled to computational graphs once values for all hyperparameters have been chosen. We can leverage the structure of the search space to introduce different model search algorithms, such as random search, Monte Carlo tree search (MCTS), and sequential model-based optimization (SMBO). We present experiments comparing the different algorithms on CIFAR-10 and show that MCTS and SMBO outperform random search. In addition, these experiments show that our framework can be used effectively for model discovery, as it is possible to describe expressive search spaces and discover competitive models without much effort from the human expert. Code for our framework and experiments has been made publicly available.

Modern deep learning models have the ability to generate high-dimensional vectors whose similarity reflects semantic resemblance. Thus, similarity search, i.e., the operation of retrieving those vectors in a large collection that are similar to a given query, has become a critical component of a wide range of applications that demand highly accurate and timely answers. In this setting, the high vector dimensionality puts similarity search systems under compute and memory pressure, leading to subpar performance. Additionally, cross-modal retrieval tasks have become increasingly common, e.g., where a user inputs a text query to find the most relevant images for that query. However, these queries often have different distributions than the database embeddings, making it challenging to achieve high accuracy. In this work, we present LeanVec, a framework that combines linear dimensionality reduction with vector quantization to accelerate similarity search on high-dimensional vectors while maintaining accuracy. We present LeanVec variants for in-distribution (ID) and out-of-distribution (OOD) queries. LeanVec-ID yields accuracies on par with those from recently introduced deep learning alternatives whose computational overhead precludes their usage in practice. LeanVec-OOD uses a novel technique for dimensionality reduction that considers the query and database distributions to simultaneously boost the accuracy and the performance of the framework even further (even presenting competitive results when the query and database distributions match). All in all, our extensive and varied experimental results show that LeanVec produces state-of-the-art results, with up to 3.7x improvement in search throughput and up to 4.9x faster index build time over the state of the art.

We present the MULTIMODAL UNIVERSE, a large-scale multimodal dataset of scientific astronomical data, compiled specifically to facilitate machine learning research. Overall, the MULTIMODAL UNIVERSE contains hundreds of millions of astronomical observations, constituting 100\,TB of multi-channel and hyper-spectral images, spectra, multivariate time series, as well as a wide variety of associated scientific measurements and "metadata". In addition, we include a range of benchmark tasks representative of standard practices for machine learning methods in astrophysics. This massive dataset will enable the development of large multi-modal models specifically targeted towards scientific applications. All codes used to compile the MULTIMODAL UNIVERSE and a description of how to access the data is available at https://github.com/MultimodalUniverse/MultimodalUniverse

Given the importance of remote sensing, surprisingly little attention has been paid to it by the representation learning community. To address it and to establish baselines and a common evaluation protocol in this domain, we provide simplified access to 5 diverse remote sensing datasets in a standardized form. Specifically, we investigate in-domain representation learning to develop generic remote sensing representations and explore which characteristics are important for a dataset to be a good source for remote sensing representation learning. The established baselines achieve state-of-the-art performance on these datasets.

Multi-stage ranking pipelines have been a practical solution in modern search systems, where the first-stage retrieval is to return a subset of candidate documents, and latter stages attempt to re-rank those candidates. Unlike re-ranking stages going through quick technique shifts during past decades, the first-stage retrieval has long been dominated by classical term-based models. Unfortunately, these models suffer from the vocabulary mismatch problem, which may block re-ranking stages from relevant documents at the very beginning. Therefore, it has been a long-term desire to build semantic models for the first-stage retrieval that can achieve high recall efficiently. Recently, we have witnessed an explosive growth of research interests on the first-stage semantic retrieval models. We believe it is the right time to survey current status, learn from existing methods, and gain some insights for future development. In this paper, we describe the current landscape of the first-stage retrieval models under a unified framework to clarify the connection between classical term-based retrieval methods, early semantic retrieval methods and neural semantic retrieval methods. Moreover, we identify some open challenges and envision some future directions, with the hope of inspiring more researches on these important yet less investigated topics.

We present the design, implementation and engineering experience in building and deploying MegaScale, a production system for training large language models (LLMs) at the scale of more than 10,000 GPUs. Training LLMs at this scale brings unprecedented challenges to training efficiency and stability. We take a full-stack approach that co-designs the algorithmic and system components across model block and optimizer design, computation and communication overlapping, operator optimization, data pipeline, and network performance tuning. Maintaining high efficiency throughout the training process (i.e., stability) is an important consideration in production given the long extent of LLM training jobs. Many hard stability issues only emerge at large scale, and in-depth observability is the key to address them. We develop a set of diagnosis tools to monitor system components and events deep in the stack, identify root causes, and derive effective techniques to achieve fault tolerance and mitigate stragglers. MegaScale achieves 55.2% Model FLOPs Utilization (MFU) when training a 175B LLM model on 12,288 GPUs, improving the MFU by 1.34x compared to Megatron-LM. We share our operational experience in identifying and fixing failures and stragglers. We hope by articulating the problems and sharing our experience from a systems perspective, this work can inspire future LLM systems research.

Self-supervised learning (SSL) has emerged as a powerful framework to learn representations from raw data without supervision. Yet in practice, engineers face issues such as instability in tuning optimizers and collapse of representations during training. Such challenges motivate the need for a theory to shed light on the complex interplay between the choice of data augmentation, network architecture, and training algorithm. We study such an interplay with a precise analysis of generalization performance on both pretraining and downstream tasks in a theory friendly setup, and highlight several insights for SSL practitioners that arise from our theory.

In neural Information Retrieval (IR), ongoing research is directed towards improving the first retriever in ranking pipelines. Learning dense embeddings to conduct retrieval using efficient approximate nearest neighbors methods has proven to work well. Meanwhile, there has been a growing interest in learning sparse representations for documents and queries, that could inherit from the desirable properties of bag-of-words models such as the exact matching of terms and the efficiency of inverted indexes. Introduced recently, the SPLADE model provides highly sparse representations and competitive results with respect to state-of-the-art dense and sparse approaches. In this paper, we build on SPLADE and propose several significant improvements in terms of effectiveness and/or efficiency. More specifically, we modify the pooling mechanism, benchmark a model solely based on document expansion, and introduce models trained with distillation. We also report results on the BEIR benchmark. Overall, SPLADE is considerably improved with more than 9\% gains on NDCG@10 on TREC DL 2019, leading to state-of-the-art results on the BEIR benchmark.

Massively multitask neural architectures provide a learning framework for drug discovery that synthesizes information from many distinct biological sources. To train these architectures at scale, we gather large amounts of data from public sources to create a dataset of nearly 40 million measurements across more than 200 biological targets. We investigate several aspects of the multitask framework by performing a series of empirical studies and obtain some interesting results: (1) massively multitask networks obtain predictive accuracies significantly better than single-task methods, (2) the predictive power of multitask networks improves as additional tasks and data are added, (3) the total amount of data and the total number of tasks both contribute significantly to multitask improvement, and (4) multitask networks afford limited transferability to tasks not in the training set. Our results underscore the need for greater data sharing and further algorithmic innovation to accelerate the drug discovery process.

The deep neural networks used in modern computer vision systems require enormous image datasets to train them. These carefully-curated datasets typically have a million or more images, across a thousand or more distinct categories. The process of creating and curating such a dataset is a monumental undertaking, demanding extensive effort and labelling expense and necessitating careful navigation of technical and social issues such as label accuracy, copyright ownership, and content bias. What if we had a way to harness the power of large image datasets but with few or none of the major issues and concerns currently faced? This paper extends the recent work of Kataoka et. al. (2020), proposing an improved pre-training dataset based on dynamically-generated fractal images. Challenging issues with large-scale image datasets become points of elegance for fractal pre-training: perfect label accuracy at zero cost; no need to store/transmit large image archives; no privacy/demographic bias/concerns of inappropriate content, as no humans are pictured; limitless supply and diversity of images; and the images are free/open-source. Perhaps surprisingly, avoiding these difficulties imposes only a small penalty in performance. Leveraging a newly-proposed pre-training task -- multi-instance prediction -- our experiments demonstrate that fine-tuning a network pre-trained using fractals attains 92.7-98.1% of the accuracy of an ImageNet pre-trained network.

The conventional wisdom behind learning deep classification models is to focus on bad-classified examples and ignore well-classified examples that are far from the decision boundary. For instance, when training with cross-entropy loss, examples with higher likelihoods (i.e., well-classified examples) contribute smaller gradients in back-propagation. However, we theoretically show that this common practice hinders representation learning, energy optimization, and margin growth. To counteract this deficiency, we propose to reward well-classified examples with additive bonuses to revive their contribution to the learning process. This counterexample theoretically addresses these three issues. We empirically support this claim by directly verifying the theoretical results or significant performance improvement with our counterexample on diverse tasks, including image classification, graph classification, and machine translation. Furthermore, this paper shows that we can deal with complex scenarios, such as imbalanced classification, OOD detection, and applications under adversarial attacks because our idea can solve these three issues. Code is available at: https://github.com/lancopku/well-classified-examples-are-underestimated.

Deep neural networks (DNNs) have grown exponentially in size over the past decade, leaving only those who have massive datacenter-based resources with the ability to develop and train such models. One of the main challenges for the long tail of researchers who might have only limited resources (e.g., a single multi-GPU server) is limited GPU memory capacity compared to model size. The problem is so acute that the memory requirement of training massive DNN models can often exceed the aggregate capacity of all available GPUs on a single server; this problem only gets worse with the trend of ever-growing model sizes. Current solutions that rely on virtualizing GPU memory (by swapping to/from CPU memory) incur excessive swapping overhead. In this paper, we present a new training framework, Harmony, and advocate rethinking how DNN frameworks schedule computation and move data to push the boundaries of training massive models efficiently on a single commodity server. Across various massive DNN models, Harmony is able to reduce swap load by up to two orders of magnitude and obtain a training throughput speedup of up to 7.6x over highly optimized baselines with virtualized memory.

We study the memorization power of feedforward ReLU neural networks. We show that such networks can memorize any N points that satisfy a mild separability assumption using Oleft(Nright) parameters. Known VC-dimension upper bounds imply that memorizing N samples requires Omega(N) parameters, and hence our construction is optimal up to logarithmic factors. We also give a generalized construction for networks with depth bounded by 1 leq L leq N, for memorizing N samples using O(N/L) parameters. This bound is also optimal up to logarithmic factors. Our construction uses weights with large bit complexity. We prove that having such a large bit complexity is both necessary and sufficient for memorization with a sub-linear number of parameters.

In the rapidly evolving landscape of artificial intelligence (AI), generative large language models (LLMs) stand at the forefront, revolutionizing how we interact with our data. However, the computational intensity and memory consumption of deploying these models present substantial challenges in terms of serving efficiency, particularly in scenarios demanding low latency and high throughput. This survey addresses the imperative need for efficient LLM serving methodologies from a machine learning system (MLSys) research perspective, standing at the crux of advanced AI innovations and practical system optimizations. We provide in-depth analysis, covering a spectrum of solutions, ranging from cutting-edge algorithmic modifications to groundbreaking changes in system designs. The survey aims to provide a comprehensive understanding of the current state and future directions in efficient LLM serving, offering valuable insights for researchers and practitioners in overcoming the barriers of effective LLM deployment, thereby reshaping the future of AI.

Detecting objects in real-world scenes is a complex task due to various challenges, including the vast range of object categories, and potential encounters with previously unknown or unseen objects. The challenges necessitate the development of public benchmarks and challenges to advance the field of object detection. Inspired by the success of previous COCO and LVIS Challenges, we organize the V3Det Challenge 2024 in conjunction with the 4th Open World Vision Workshop: Visual Perception via Learning in an Open World (VPLOW) at CVPR 2024, Seattle, US. This challenge aims to push the boundaries of object detection research and encourage innovation in this field. The V3Det Challenge 2024 consists of two tracks: 1) Vast Vocabulary Object Detection: This track focuses on detecting objects from a large set of 13204 categories, testing the detection algorithm's ability to recognize and locate diverse objects. 2) Open Vocabulary Object Detection: This track goes a step further, requiring algorithms to detect objects from an open set of categories, including unknown objects. In the following sections, we will provide a comprehensive summary and analysis of the solutions submitted by participants. By analyzing the methods and solutions presented, we aim to inspire future research directions in vast vocabulary and open-vocabulary object detection, driving progress in this field. Challenge homepage: https://v3det.openxlab.org.cn/challenge

We introduce a new challenge to test the STEM skills of neural models. The problems in the real world often require solutions, combining knowledge from STEM (science, technology, engineering, and math). Unlike existing datasets, our dataset requires the understanding of multimodal vision-language information of STEM. Our dataset features one of the largest and most comprehensive datasets for the challenge. It includes 448 skills and 1,073,146 questions spanning all STEM subjects. Compared to existing datasets that often focus on examining expert-level ability, our dataset includes fundamental skills and questions designed based on the K-12 curriculum. We also add state-of-the-art foundation models such as CLIP and GPT-3.5-Turbo to our benchmark. Results show that the recent model advances only help master a very limited number of lower grade-level skills (2.5% in the third grade) in our dataset. In fact, these models are still well below (averaging 54.7%) the performance of elementary students, not to mention near expert-level performance. To understand and increase the performance on our dataset, we teach the models on a training split of our dataset. Even though we observe improved performance, the model performance remains relatively low compared to average elementary students. To solve STEM problems, we will need novel algorithmic innovations from the community.

In the past decade, advances in deep learning have resulted in breakthroughs in a variety of areas, including computer vision, natural language understanding, speech recognition, and reinforcement learning. Specialized, high-performing neural architectures are crucial to the success of deep learning in these areas. Neural architecture search (NAS), the process of automating the design of neural architectures for a given task, is an inevitable next step in automating machine learning and has already outpaced the best human-designed architectures on many tasks. In the past few years, research in NAS has been progressing rapidly, with over 1000 papers released since 2020 (Deng and Lindauer, 2021). In this survey, we provide an organized and comprehensive guide to neural architecture search. We give a taxonomy of search spaces, algorithms, and speedup techniques, and we discuss resources such as benchmarks, best practices, other surveys, and open-source libraries.

We introduce a new type of programming challenge called programming puzzles, as an objective and comprehensive evaluation of program synthesis, and release an open-source dataset of Python Programming Puzzles (P3). Each puzzle is defined by a short Python program f, and the goal is to find an input which makes f return True. The puzzles are objective in that each one is specified entirely by the source code of its verifier f, so evaluating f is all that is needed to test a candidate solution. They do not require an answer key or input/output examples, nor do they depend on natural language understanding. The dataset is comprehensive in that it spans problems of a range of difficulties and domains, ranging from trivial string manipulation problems, to classic programming puzzles (e.g., Tower of Hanoi), to interview/competitive-programming problems (e.g., dynamic programming), to longstanding open problems in algorithms and mathematics (e.g., factoring). We develop baseline enumerative program synthesis, GPT-3 and Codex solvers that are capable of solving puzzles -- even without access to any reference solutions -- by learning from their own past solutions. Codex performs best, solving up to 18% of 397 test problems with a single try and 80% of the problems with 1,000 tries per problem. In a small user study, we find a positive correlation between puzzle-solving performance and coding experience, and between the puzzle difficulty for humans and AI solvers. Therefore, further improvements on P3 could have a significant impact on many program synthesis areas.

The field of Automatic Machine Learning (AutoML) has recently attained impressive results, including the discovery of state-of-the-art machine learning solutions, such as neural image classifiers. This is often done by applying an evolutionary search method, which samples multiple candidate solutions from a large space and evaluates the quality of each candidate through a long training process. As a result, the search tends to be slow. In this paper, we show that large efficiency gains can be obtained by employing a fast unified functional hash, especially through the functional equivalence caching technique, which we also present. The central idea is to detect by hashing when the search method produces equivalent candidates, which occurs very frequently, and this way avoid their costly re-evaluation. Our hash is "functional" in that it identifies equivalent candidates even if they were represented or coded differently, and it is "unified" in that the same algorithm can hash arbitrary representations; e.g. compute graphs, imperative code, or lambda functions. As evidence, we show dramatic improvements on multiple AutoML domains, including neural architecture search and algorithm discovery. Finally, we consider the effect of hash collisions, evaluation noise, and search distribution through empirical analysis. Altogether, we hope this paper may serve as a guide to hashing techniques in AutoML.

The increasing use of tools and solutions based on Large Language Models (LLMs) for various tasks in the medical domain has become a prominent trend. Their use in this highly critical and sensitive domain has thus raised important questions about their robustness, especially in response to variations in input, and the reliability of the generated outputs. This study addresses these questions by constructing a textual dataset based on the ICD-10-CM code descriptions, widely used in US hospitals and containing many clinical terms, and their easily reproducible rephrasing. We then benchmarked existing embedding models, either generalist or specialized in the clinical domain, in a semantic search task where the goal was to correctly match the rephrased text to the original description. Our results showed that generalist models performed better than clinical models, suggesting that existing clinical specialized models are more sensitive to small changes in input that confuse them. The highlighted problem of specialized models may be due to the fact that they have not been trained on sufficient data, and in particular on datasets that are not diverse enough to have a reliable global language understanding, which is still necessary for accurate handling of medical documents.

A key challenge in artificial intelligence is the creation of systems capable of autonomously advancing scientific understanding by exploring novel domains, identifying complex patterns, and uncovering previously unseen connections in vast scientific data. In this work, we present SciAgents, an approach that leverages three core concepts: (1) the use of large-scale ontological knowledge graphs to organize and interconnect diverse scientific concepts, (2) a suite of large language models (LLMs) and data retrieval tools, and (3) multi-agent systems with in-situ learning capabilities. Applied to biologically inspired materials, SciAgents reveals hidden interdisciplinary relationships that were previously considered unrelated, achieving a scale, precision, and exploratory power that surpasses traditional human-driven research methods. The framework autonomously generates and refines research hypotheses, elucidating underlying mechanisms, design principles, and unexpected material properties. By integrating these capabilities in a modular fashion, the intelligent system yields material discoveries, critique and improve existing hypotheses, retrieve up-to-date data about existing research, and highlights their strengths and limitations. Our case studies demonstrate scalable capabilities to combine generative AI, ontological representations, and multi-agent modeling, harnessing a `swarm of intelligence' similar to biological systems. This provides new avenues for materials discovery and accelerates the development of advanced materials by unlocking Nature's design principles.