NeurIPS 2024 论文列表

When training deep neural networks, a model's generalization error is often observed to follow a power scaling law dependent both on the model size and the data size. Perhaps the best known example of such scaling laws are for transformer-based large language models (**LLMs**), where networks with billions of parameters are trained on trillions of tokens of text. Yet, despite sustained widespread interest, a rigorous understanding of why transformer scaling laws exist is still missing. To answer this question, we establish novel statistical estimation and mathematical approximation theories for transformers when the input data are concentrated on a low-dimensional manifold. Our theory predicts a power law between the generalization error and both the training data size and the network size for transformers, where the power depends on the intrinsic dimension $d$ of the training data. Notably, the constructed model architecture is shallow, requiring only logarithmic depth in $d$. By leveraging low-dimensional data structures under a manifold hypothesis, we are able to explain transformer scaling laws in a way which respects the data geometry. Moreover, we test our theory with empirical observation by training LLMs on natural language datasets. We find the observed empirical scaling laws closely agree with our theoretical predictions. Taken together, these results rigorously show the intrinsic dimension of data to be a crucial quantity affecting transformer scaling laws in both theory and practice.

Working memory is a central cognitive ability crucial for intelligent decision-making. Recent experimental and computational work studying working memory has primarily used categorical (i.e., one-hot) inputs, rather than ecologically-relevant, multidimensional naturalistic ones. Moreover, studies have primarily investigated working memory during single or few number of cognitive tasks. As a result, an understanding of how naturalistic object information is maintained in working memory in neural networks is still lacking. To bridge this gap, we developed sensory-cognitive models, comprising of a convolutional neural network (CNN) coupled with a recurrent neural network (RNN), and trained them on nine distinct N-back tasks using naturalistic stimuli. By examining the RNN’s latent space, we found that: 1) Multi-task RNNs represent both task-relevant and irrelevant information simultaneously while performing tasks; 2) While the latent subspaces used to maintain specific object properties in vanilla RNNs are largely shared across tasks, they are highly task-specific in gated RNNs such as GRU and LSTM; 3) Surprisingly, RNNs embed objects in new representational spaces in which individual object features are less orthogonalized relative to the perceptual space; 4) Interestingly, the transformation of WM encodings (i.e., embedding of visual inputs in the RNN latent space) into memory was shared across stimuli, yet the transformations governing the retention of a memory in the face of incoming distractor stimuli were distinct across time. Our findings indicate that goal-driven RNNs employ chronological memory subspaces to track information over short time spans, enabling testable predictions with neural data.

Visual In-Context Learning (VICL) is a prevailing way to transfer visual foundation models to new tasks by leveraging contextual information contained in in-context examples to enhance learning and prediction of query sample. The fundamental problem in VICL is how to select the best prompt to activate its power as much as possible, which is equivalent to the ranking problem to test the in-context behavior of each candidate in the alternative set and select the best one. To utilize more appropriate ranking metric and leverage more comprehensive information among the alternative set, we propose a novel in-context example selection framework to approximately identify the global optimal prompt, i.e. choosing the best performing in-context examples from all alternatives for each query sample. Our method, dubbed Partial2Global, adopts a transformer-based list-wise ranker to provide a more comprehensive comparison within several alternatives, and a consistency-aware ranking aggregator to generate globally consistent ranking. The effectiveness of Partial2Global is validated through experiments on foreground segmentation, single object detection and image colorization, demonstrating that Partial2Global selects consistently better in-context examples compared with other methods, and thus establish the new state-of-the-arts.

As the problem of minimizing functionals on the Wasserstein space encompasses many applications in machine learning, different optimization algorithms on $\mathbb{R}^d$ have received their counterpart analog on the Wasserstein space. We focus here on lifting two explicit algorithms: mirror descent and preconditioned gradient descent. These algorithms have been introduced to better capture the geometry of the function to minimize and are provably convergent under appropriate (namely relative) smoothness and convexity conditions. Adapting these notions to the Wasserstein space, we prove guarantees of convergence of some Wasserstein-gradient-based discrete-time schemes for new pairings of objective functionals and regularizers. The difficulty here is to carefully select along which curves the functionals should be smooth and convex. We illustrate the advantages of adapting the geometry induced by the regularizer on ill conditioned optimization tasks, and showcase the improvement of choosing different discrepancies and geometries in a computational biology task of aligning single-cells.

Foundation models have emerged as powerful tools across various domains including language, vision, and multimodal tasks. While prior works have addressed unsupervised semantic segmentation, they significantly lag behind supervised models. In this paper, we use a diffusion UNet encoder as a foundation vision encoder and introduce DiffCut, an unsupervised zero-shot segmentation method that solely harnesses the output features from the final self-attention block. Through extensive experimentation, we demonstrate that using these diffusion features in a graph based segmentation algorithm, significantly outperforms previous state-of-the-art methods on zero-shot segmentation. Specifically, we leverage a recursive Normalized Cut algorithm that regulates the granularity of detected objects and produces well-defined segmentation maps that precisely capture intricate image details. Our work highlights the remarkably accurate semantic knowledge embedded within diffusion UNet encoders that could then serve as foundation vision encoders for downstream tasks.

The process of satisfying daily demands is a fundamental aspect of humans' daily lives. With the advancement of embodied AI, robots are increasingly capable of satisfying human demands. Demand-driven navigation (DDN) is a task in which an agent must locate an object to satisfy a specified demand instruction, such as "I am thirsty." The previous study typically assumes that each demand instruction requires only one object to be fulfilled and does not consider individual preferences. However, the realistic human demand may involve multiple objects. In this paper, we introduce the Multi-object Demand-driven Navigation (MO-DDN) benchmark, which addresses these nuanced aspects, including multi-object search and personal preferences, thus making the MO-DDN task more reflective of real-life scenarios compared to DDN. Building upon previous work, we employ the concept of ``attribute'' to tackle this new task. However, instead of solely relying on attribute features in an end-to-end manner like DDN, we propose a modular method that involves constructing a coarse-to-fine attribute-based exploration agent (C2FAgent). Our experimental results illustrate that this coarse-to-fine exploration strategy capitalizes on the advantages of attributes at various decision-making levels, resulting in superior performance compared to baseline methods. Code and video can be found at https://sites.google.com/view/moddn.

First-order optimization (FOO) algorithms are pivotal in numerous computational domains, such as reinforcement learning and deep learning. However, their application to complex tasks often entails significant optimization inefficiency due to their need of many sequential iterations for convergence. In response, we introduce first-order optimization expedited with approximately parallelized iterations (OptEx), the first general framework that enhances the time efficiency of FOO by leveraging parallel computing to directly mitigate its requirement of many sequential iterations for convergence. To achieve this, OptEx utilizes a kernelized gradient estimation that is based on the history of evaluated gradients to predict the gradients required by the next few sequential iterations in FOO, which helps to break the inherent iterative dependency and hence enables the approximate parallelization of iterations in FOO. We further establish theoretical guarantees for the estimation error of our kernelized gradient estimation and the iteration complexity of SGD-based OptEx, confirming that the estimation error diminishes to zero as the history of gradients accumulates and that our SGD-based OptEx enjoys an effective acceleration rate of Θ(√N ) over standard SGD given parallelism of N, in terms of the sequential iterations required for convergence. Finally, we provide extensive empirical studies, including synthetic functions, reinforcement learning tasks, and neural network training on various datasets, to underscore the substantial efficiency improvements achieved by our OptEx in practice.

To evaluate Large Language Models (LLMs) for question answering (QA), traditional methods typically focus on directly assessing the immediate responses generated by the models based on the given question and context. In the common use case of humans seeking AI assistant’s help in finding information, these non-interactive evaluations do not account for the dynamic nature of human-model conversations, and interaction-aware evaluations have shown that accurate models are not necessarily preferred by humans Lee et al. Recent works in human-computer interaction (HCI) have employed human evaluators to conduct interactions and evaluations, but they are often prohibitively expensive and time-consuming to scale. In this work, we introduce an automated evaluation framework IQA-EVAL to Interactive Question Answering Evaluations, more specifically, we introduce LLM-based Evaluation Agent (LEA) that can: (1) simulate human behaviors to generate interactions with IQA models; (2) automatically evaluate the generated interactions. Moreover, we propose assigning personas to LEAs to better simulate groups of real human evaluators. We show that: (1) our evaluation framework with GPT-4 (or Claude) as the backbone model achieves a high correlation with human evaluations on the IQA task; (2) assigning personas to LEA to better represent the crowd further significantly improves correlations. Finally, we use our automated metric to evaluate five recent LLMs with over 1000 questions from complex and ambiguous question answering tasks, which would cost $5k if evaluated by humans.

Situation awareness is essential for understanding and reasoning about 3D scenes in embodied AI agents. However, existing datasets and benchmarks for situated understanding suffer from severe limitations in data modality, scope, diversity, and scale. To address these limitations, we propose Multi-modal Situated Question Answering (MSQA), a large-scale multi-modal situated reasoning dataset, scalably collected leveraging 3D scene graphs and vision-language models (VLMs) across a diverse range of real-world 3D scenes. MSQA includes 251K situated question answering pairs across 9 distinct question categories, covering complex scenarios and object modalities within 3D scenes. We introduce a novel interleaved multi modal input setting in our benchmark to provide both texts, images, and point clouds for situation and question description, aiming to resolve ambiguity in describing situations with single-modality inputs (e.g., texts). Additionally, we devise the Multi-modal Next-step Navigation (MSNN) benchmark to evaluate models’ grounding of actions and transitions between situations. Comprehensive evaluations on reasoning and navigation tasks highlight the limitations of existing vision-language models and underscore the importance of handling multi-modal interleaved inputs and situation modeling. Experiments on data scaling and cross domain transfer further demonstrate the effectiveness of leveraging MSQA as a pre-training dataset for developing more powerful situated reasoning models, contributing to advancements in 3D scene understanding for embodied AI.

Recent advances in large language models have shown capabilities that are extraordinary and near-superhuman. These models operate with such complexity that reliably evaluating and aligning them proves challenging for humans. This leads to the natural question: can guidance from weak models (like humans) adequately direct the capabilities of strong models? In a recent and somewhat surprising work, Burns et al. (2023) empirically demonstrated that when strong models (like GPT-4) are finetuned using labels generated by weak supervisors (like GPT-2), the strong models outperform their weaker counterparts---a phenomenon they term *weak-to-strong generalization*. In this work, we present a theoretical framework for understanding weak-to-strong generalization. Specifically, we show that the improvement in performance achieved by strong models over their weaker counterparts is quantified by the *misfit error* incurred by the strong model on labels generated by the weaker model. Our theory reveals several curious algorithmic insights. For instance, we can predict the amount by which the strong model will improve over the weak model, and also choose among different weak models to train the strong model, based on its misfit error. We validate our theoretical findings through various empirical assessments.

This paper explores the weakly-supervised referring image segmentation (WRIS) problem, and focuses on a challenging setup where target localization is learned directly from image-text pairs. We note that the input text description typically already contains detailed information on how to localize the target object, and we also observe that humans often follow a step-by-step comprehension process (\ie, progressively utilizing target-related attributes and relations as cues) to identify the target object. Hence, we propose a novel Progressive Comprehension Network (PCNet) to leverage target-related textual cues from the input description for progressively localizing the target object. Specifically, we first use a Large Language Model (LLM) to decompose the input text description into short phrases. These short phrases are taken as target-related cues and fed into a Conditional Referring Module (CRM) in multiple stages, to allow updating the referring text embedding and enhance the response map for target localization in a multi-stage manner. Based on the CRM, we then propose a Region-aware Shrinking (RaS) loss to constrain the visual localization to be conducted progressively in a coarse-to-fine manner across different stages. Finally, we introduce an Instance-aware Disambiguation (IaD) loss to suppress instance localization ambiguity by differentiating overlapping response maps generated by different referring texts on the same image. Extensive experiments show that our method outperforms SOTA methods on three common benchmarks.

Each voxel in a diffusion MRI (dMRI) image contains a spherical signal corresponding to the direction and strength of water diffusion in the brain. This paper advances the analysis of such spatio-spherical data by developing convolutional network layers that are equivariant to the $\mathbf{E(3) \times SO(3)}$ group and account for the physical symmetries of dMRI including rotations, translations, and reflections of space alongside voxel-wise rotations. Further, neuronal fibers are typically antipodally symmetric, a fact we leverage to construct highly efficient spatio-*hemispherical* graph convolutions to accelerate the analysis of high-dimensional dMRI data. In the context of sparse spherical fiber deconvolution to recover white matter microstructure, our proposed equivariant network layers yield substantial performance and efficiency gains, leading to better and more practical resolution of crossing neuronal fibers and fiber tractography. These gains are experimentally consistent across both simulation and in vivo human datasets.

Large language models (LLMs) have garnered significant attention for their remarkable capabilities across various domains, whose vast parameter scales present challenges for practical deployment. Structured pruning is an effective method to balance model performance with efficiency, but performance restoration under computational resource constraints is a principal challenge in pruning LLMs. Therefore, we present a low-cost and fast structured pruning method for LLMs named SlimGPT based on the Optimal Brain Surgeon framework. We propose Batched Greedy Pruning for rapid and near-optimal pruning, which enhances the accuracy of head-wise pruning error estimation through grouped Cholesky decomposition and improves the pruning efficiency of FFN via Dynamic Group Size, thereby achieving approximate local optimal pruning results within one hour. Besides, we explore the limitations of layer-wise pruning from the perspective of error accumulation and propose Incremental Pruning Ratio, a non-uniform pruning strategy to reduce performance degradation. Experimental results on the LLaMA benchmark show that SlimGPT outperforms other methods and achieves state-of-the-art results.

Image classification is one of the most fundamental capabilities of machine vision intelligence. In this work, we revisit the image classification task using visually-grounded language models (VLMs) such as GPT-4V and LLaVA. We find that existing proprietary and public VLMs, despite often using CLIP as a vision encoder and having many more parameters, significantly underperform CLIP on standard image classification benchmarks like ImageNet. To understand the reason, we explore several hypotheses concerning the inference algorithms, training objectives, and data processing in VLMs. Our analysis reveals that the primary cause is data-related: critical information for image classification is encoded in the VLM's latent space but can only be effectively decoded with enough training data. Specifically, there is a strong correlation between the frequency of class exposure during VLM training and instruction-tuning and the VLM's performance in those classes; when trained with sufficient data, VLMs can match the accuracy of state-of-the-art classification models. Based on these findings, we enhance a VLM by integrating classification-focused datasets into its training, and demonstrate that the enhanced classification performance of the VLM transfers to its general capabilities, resulting in an improvement of 11.8% on the newly collected ImageWikiQA dataset.

This paper introduces DiffTORI, which utilizes $\textbf{Diff}$erentiable $\textbf{T}$rajectory $\textbf{O}$ptimization as the policy representation to generate actions for deep $\textbf{R}$einforcement and $\textbf{I}$mitation learning. Trajectory optimization is a powerful and widely used algorithm in control, parameterized by a cost and a dynamics function. The key to our approach is to leverage the recent progress in differentiable trajectory optimization, which enables computing the gradients of the loss with respect to the parameters of trajectory optimization. As a result, the cost and dynamics functions of trajectory optimization can be learned end-to-end. DiffTORI addresses the “objective mismatch” issue of prior model-based RL algorithms, as the dynamics model in DiffTORI is learned to directly maximize task performance by differentiating the policy gradient loss through the trajectory optimization process. We further benchmark DiffTORI for imitation learning on standard robotic manipulation task suites with high-dimensional sensory observations and compare our method to feedforward policy classes as well as Energy-Based Models (EBM) and Diffusion. Across 15 model based RL tasks and 35 imitation learning tasks with high-dimensional image and point cloud inputs, DiffTORI outperforms prior state-of-the-art methods in both domains.

Federated learning (FL) is a machine learning paradigm that allows multiple FL participants (FL-PTs) to collaborate on training models without sharing private data. Due to data heterogeneity, negative transfer may occur in the FL training process. This necessitates FL-PT selection based on their data complementarity. In cross-silo FL, organizations that engage in business activities are key sources of FL-PTs. The resulting FL ecosystem has two features: (i) self-interest, and (ii) competition among FL-PTs. This requires the desirable FL-PT selection strategy to simultaneously mitigate the problems of free riders and conflicts of interest among competitors. To this end, we propose an optimal FL collaboration formation strategy -FedEgoists- which ensures that: (1) a FL-PT can benefit from FL if and only if it benefits the FL ecosystem, and (2) a FL-PT will not contribute to its competitors or their supporters. It provides an efficient clustering solution to group FL-PTs into coalitions, ensuring that within each coalition, FL-PTs share the same interest. We theoretically prove that the FL-PT coalitions formed are optimal since no coalitions can collaborate together to improve the utility of any of their members. Extensive experiments on widely adopted benchmark datasets demonstrate the effectiveness of FedEgoists compared to nine state-of-the-art baseline methods, and its ability to establish efficient collaborative networks in cross-silos FL with FL-PTs that engage in business activities.

Text-to-image diffusion generative models can generate high quality images at the cost of tedious prompt engineering. Controllability can be improved by introducing layout conditioning, however existing methods lack layout editing ability and fine-grained control over object attributes. The concept of multi-layer generation holds great potential to address these limitations, however generating image instances concurrently to scene composition limits control over fine-grained object attributes, relative positioning in 3D space and scene manipulation abilities. In this work, we propose a novel multi-stage generation paradigm that is designed for fine-grained control, flexibility and interactivity. To ensure control over instance attributes, we devise a novel training paradigm to adapt a diffusion model to generate isolated scene components as RGBA images with transparency information. To build complex images, we employ these pre-generated instances and introduce a multi-layer composite generation process that smoothly assembles components in realistic scenes. Our experiments show that our RGBA diffusion model is capable of generating diverse and high quality instances with precise control over object attributes. Through multi-layer composition, we demonstrate that our approach allows to build and manipulate images from highly complex prompts with fine-grained control over object appearance and location, granting a higher degree of control than competing methods.

Large multimodal models (LMMs) combine unimodal encoders and large language models (LLMs) to perform multimodal tasks. Despite recent advancements towards the interpretability of these models, understanding internal representations of LMMs remains largely a mystery. In this paper, we present a novel framework for the interpretation of LMMs. We propose a dictionary learning based approach, applied to the representation of tokens. The elements of the learned dictionary correspond to our proposed concepts. We show that these concepts are well semantically grounded in both vision and text. Thus we refer to these as ``multi-modal concepts''. We qualitatively and quantitatively evaluate the results of the learnt concepts. We show that the extracted multimodal concepts are useful to interpret representations of test samples. Finally, we evaluate the disentanglement between different concepts and the quality of grounding concepts visually and textually. Our implementation is publicly available: https://github.com/mshukor/xl-vlms.

Recent years have witnessed the promise of coupling machine learning methods and physical domain-specific insights for solving scientific problems based on partial differential equations (PDEs). However, being data-intensive, these methods still require a large amount of PDE data. This reintroduces the need for expensive numerical PDE solutions, partially undermining the original goal of avoiding these expensive simulations. In this work, seeking data efficiency, we design unsupervised pretraining for PDE operator learning. To reduce the need for training data with heavy simulation costs, we mine unlabeled PDE data without simulated solutions, and we pretrain neural operators with physics-inspired reconstruction-based proxy tasks. To improve out-of-distribution performance, we further assist neural operators in flexibly leveraging a similarity-based method that learns in-context examples, without incurring extra training costs or designs. Extensive empirical evaluations on a diverse set of PDEs demonstrate that our method is highly data-efficient, more generalizable, and even outperforms conventional vision-pretrained models. We provide our code at https://github.com/delta-lab-ai/data_efficient_nopt.