NeurIPS 2024 论文列表

We present a detailed study of cardinality-aware top-$k$ classification, a novel approach that aims to learn an accurate top-$k$ set predictor while maintaining a low cardinality. We introduce a new target loss function tailored to this setting that accounts for both the classification error and the cardinality of the set predicted. To optimize this loss function, we propose two families of surrogate losses: cost-sensitive comp-sum losses and cost-sensitive constrained losses. Minimizing these loss functions leads to new cardinality-aware algorithms that we describe in detail in the case of both top-$k$ and threshold-based classifiers. We establish $H$-consistency bounds for our cardinality-aware surrogate loss functions, thereby providing a strong theoretical foundation for our algorithms. We report the results of extensive experiments on CIFAR-10, CIFAR-100, ImageNet, and SVHN datasets demonstrating the effectiveness and benefits of our cardinality-aware algorithms.

The state space models, employing recursively propagated features, demonstrate strong representation capabilities comparable to Transformer models and superior efficiency. However, constrained by the inherent geometric constraints of sequences, it still falls short in modeling long-range dependencies. To address this issue, we propose the MambaTree network, which first dynamically generates a tree topology based on spatial relationships and input features. Then, feature propagation is performed based on this graph, thereby breaking the original sequence constraints to achieve stronger representation capabilities. Additionally, we introduce a linear complexity dynamic programming algorithm to enhance long-range interactions without increasing computational cost. MambaTree is a versatile multimodal framework that can be applied to both visual and textual tasks. Extensive experiments demonstrate that our method significantly outperforms existing structured state space models on image classification, object detection and segmentation. Besides, by fine-tuning large language models, our approach achieves consistent improvements in multiple textual tasks at minor training cost.

Program verification is vital for ensuring software reliability, especially in the context of increasingly complex systems. Loop invariants, remaining true before and after each iteration of loops, are crucial for this verification process. Traditional provers and machine learning based methods for generating loop invariants often require expert intervention or extensive labeled data, and typically only handle numerical property verification. These methods struggle with programs involving complex data structures and memory manipulations, limiting their applicability and automation capabilities. This paper introduces a new benchmark named LIG-MM, specifically for programs with complex data structures and memory manipulations. We collect 312 programs from various sources, including daily programs from college homework, the international competition (SV-COMP), benchmarks from previous papers (SLING), and programs from real-world software systems (Linux Kernel, GlibC, LiteOS, and Zephyr). Based on LIG-MM, our findings indicate that previous methods, including GPT-4, fail to automate verification for these programs. Consequently, we propose a novel LLM-SE framework that coordinates LLM with symbolic execution, fine-tuned using self-supervised learning, to generate loop invariants. Experimental results on LIG-MM demonstrate that our LLM-SE outperforms state-of-the-art methods, offering a new direction toward automated program verification in real-world scenarios.

A challenging problem in many modern machine learning tasks is to process weight-space features, i.e., to transform or extract information from the weights and gradients of a neural network. Recent works have developed promising weight-space models that are equivariant to the permutation symmetries of simple feedforward networks. However, they are not applicable to general architectures, since the permutation symmetries of a weight space can be complicated by recurrence or residual connections. This work proposes an algorithm that automatically constructs permutation equivariant models, which we refer to as universal neural functionals (UNFs), for any weight space. Among other applications, we demonstrate how UNFs can be substituted into existing learned optimizer designs, and find promising improvements over prior methods when optimizing small image classifiers and language models. Our results suggest that learned optimizers can benefit from considering the (symmetry) structure of the weight space they optimize.

We propose RABBit, a Branch-and-Bound-based verifier for verifying relational properties defined over Deep Neural Networks, such as robustness against universal adversarial perturbations (UAP). Existing SOTA complete $L_{\infty}$-robustness verifiers can not reason about dependencies between multiple executions and, as a result, are imprecise for relational verification. In contrast, existing SOTA relational verifiers only apply a single bounding step and do not utilize any branching strategies to refine the obtained bounds, thus producing imprecise results. We develop the first scalable Branch-and-Bound-based relational verifier, RABBit, which efficiently combines branching over multiple executions with cross-executional bound refinement to utilize relational constraints, gaining substantial precision over SOTA baselines on a wide range of datasets and networks. Our code is at https://github.com/uiuc-focal-lab/RABBit.

Users typically engage with LLMs interactively, yet most existing benchmarks evaluate them in a static, single-turn format, posing reliability concerns in interactive scenarios. We identify a key obstacle towards reliability: LLMs are trained to answer any question, even with incomplete context or insufficient knowledge. In this paper, we propose to change the static paradigm to an interactive one, develop systems that proactively ask questions to gather more information and respond reliably, and introduce an benchmark—MEDIQ—to evaluate question-asking ability in LLMs. MEDIQ simulates clinical interactions consisting of a Patient System and an adaptive Expert System; with potentially incomplete initial information, the Expert refrains from making diagnostic decisions when unconfident, and instead elicits missing details via follow-up questions. We provide a pipeline to convert single-turn medical benchmarks into an interactive format. Our results show that directly prompting state-of-the-art LLMs to ask questions degrades performance, indicating that adapting LLMs to proactive information-seeking settings is nontrivial. We experiment with abstention strategies to better estimate model confidence and decide when to ask questions, improving diagnostic accuracy by 22.3%; however, performance still lags compared to an (unrealistic in practice) upper bound with complete information upfront. Further analyses show improved interactive performance with filtering irrelevant contexts and reformatting conversations. Overall, we introduce a novel problem towards LLM reliability, an interactive MEDIQ benchmark and a novel question-asking system, and highlight directions to extend LLMs’ information-seeking abilities in critical domains.

Mixed-integer linear programming (MILP) is one of the most popular mathematical formulations with numerous applications. In practice, improving the performance of MILP solvers often requires a large amount of high-quality data, which can be challenging to collect. Researchers thus turn to generation techniques to generate additional MILP instances. However, existing approaches do not take into account specific block structures—which are closely related to the problem formulations—in the constraint coefficient matrices (CCMs) of MILPs. Consequently, they are prone to generate computationally trivial or infeasible instances due to the disruptions of block structures and thus problem formulations. To address this challenge, we propose a novel MILP generation framework, called Block Structure Decomposition (MILP-StuDio), to generate high-quality instances by preserving the block structures. Specifically, MILP-StuDio begins by identifying the blocks in CCMs and decomposing the instances into block units, which serve as the building blocks of MILP instances. We then design three operators to construct new instances by removing, substituting, and appending block units in the original instances, enabling us to generate instances with flexible sizes. An appealing feature of MILP-StuDio is its strong ability to preserve the feasibility and computational hardness of the generated instances. Experiments on the commonly-used benchmarks demonstrate that using instances generated by MILP-StuDio is able to significantly reduce over 10% of the solving time for learning-based solvers.

The optimal policy in various real-world strategic decision-making problems depends both on the environmental configuration and exogenous events. For these settings, we introduce Contextual Bilevel Reinforcement Learning (CB-RL), a stochastic bilevel decision-making model, where the lower level consists of solving a contextual Markov Decision Process (CMDP). CB-RL can be viewed as a Stackelberg Game where the leader and a random context beyond the leader’s control together decide the setup of many MDPs that potentially multiple followers best respond to. This framework extends beyond traditional bilevel optimization and finds relevance in diverse fields such as RLHF, tax design, reward shaping, contract theory and mechanism design. We propose a stochastic Hyper Policy Gradient Descent (HPGD) algorithm to solve CB-RL, and demonstrate its convergence. Notably, HPGD uses stochastic hypergradient estimates, based on observations of the followers’ trajectories. Therefore, it allows followers to use any training procedure and the leader to be agnostic of the specific algorithm, which aligns with various real-world scenarios. We further consider the setting when the leader can influence the training of followers and propose an accelerated algorithm. We empirically demonstrate the performance of our algorithm for reward shaping and tax design.

Recently, 3D Gaussian Splatting (3DGS) has become a promising framework for novel view synthesis, offering fast rendering speeds and high fidelity. However, the large number of Gaussians and their associated attributes require effective compression techniques. Existing methods primarily compress neural Gaussians individually and independently, i.e., coding all the neural Gaussians at the same time, with little design for their interactions and spatial dependence. Inspired by the effectiveness of the context model in image compression, we propose the first autoregressive model at the anchor level for 3DGS compression in this work. We divide anchors into different levels and the anchors that are not coded yet can be predicted based on the already coded ones in all the coarser levels, leading to more accurate modeling and higher coding efficiency. To further improve the efficiency of entropy coding, e.g., to code the coarsest level with no already coded anchors, we propose to introduce a low-dimensional quantized feature as the hyperprior for each anchor, which can be effectively compressed. Our work pioneers the context model in the anchor level for 3DGS representation, yielding an impressive size reduction of over 100 times compared to vanilla 3DGS and 15 times compared to the most recent state-of-the-art work Scaffold-GS, while achieving comparable or even higher rendering quality.

In multi-agent reinforcement learning (MARL), parameter sharing is commonly employed to enhance sample efficiency. However, the popular approach of full parameter sharing often leads to homogeneous policies among agents, potentially limiting the performance benefits that could be derived from policy diversity. To address this critical limitation, we introduce \emph{Kaleidoscope}, a novel adaptive partial parameter sharing scheme that fosters policy heterogeneity while still maintaining high sample efficiency. Specifically, Kaleidoscope maintains one set of common parameters alongside multiple sets of distinct, learnable masks for different agents, dictating the sharing of parameters. It promotes diversity among policy networks by encouraging discrepancy among these masks, without sacrificing the efficiencies of parameter sharing. This design allows Kaleidoscope to dynamically balance high sample efficiency with a broad policy representational capacity, effectively bridging the gap between full parameter sharing and non-parameter sharing across various environments. We further extend Kaleidoscope to critic ensembles in the context of actor-critic algorithms, which could help improve value estimations. Our empirical evaluations across extensive environments, including multi-agent particle environment, multi-agent MuJoCo and StarCraft multi-agent challenge v2, demonstrate the superior performance of Kaleidoscope compared with existing parameter sharing approaches, showcasing its potential for performance enhancement in MARL. The code is publicly available at \url{https://github.com/LXXXXR/Kaleidoscope}.

The recent success of interleaved Large Multimodal Models (LMMs) in few-shot learning suggests that in-context learning (ICL) with many examples can be promising for learning new tasks. However, this many-shot multimodal ICL setting has one crucial problem: it is fundamentally limited by the model's context length set at pretraining. The problem is especially prominent in the multimodal domain, which processes both text and images, requiring additional tokens. This motivates the need for a multimodal method to compress many shots into fewer tokens without finetuning. In this work, we enable LMMs to perform multimodal, many-shot in-context learning by leveraging Multimodal Task Vectors (MTV)---compact implicit representations of in-context examples compressed in the model's attention heads. Specifically, we first demonstrate the existence of such MTV in LMMs and then leverage these extracted MTV to enable many-shot in-context learning for various vision-and-language tasks. Our experiments suggest that MTV can scale in performance with the number of compressed shots and generalize to similar out-of-domain tasks without additional context length for inference. Code: https://github.com/Brandon3964/MultiModal-Task-Vector

Text-to-image generative models are capable of producing high-quality images that often faithfully depict concepts described using natural language. In this work, we comprehensively evaluate a range of text-to-image models on numerical reasoning tasks of varying difficulty, and show that even the most advanced models have only rudimentary numerical skills. Specifically, their ability to correctly generate an exact number of objects in an image is limited to small numbers, it is highly dependent on the context the number term appears in, and it deteriorates quickly with each successive number. We also demonstrate that models have poor understanding of linguistic quantifiers (such as “few” or “as many as”), the concept of zero, and struggle with more advanced concepts such as fractional representations. We bundle prompts, generated images and human annotations into GeckoNum, a novel benchmark for evaluation of numerical reasoning.

Accurately estimating depth in 360-degree imagery is crucial for virtual reality, autonomous navigation, and immersive media applications. Existing depth estimation methods designed for perspective-view imagery fail when applied to 360-degree images due to different camera projections and distortions. We propose a new depth estimation framework that uses unlabeled 360-degree data effectively. Our approach uses state-of-the-art perspective depth estimation models as teacher models to generate pseudo labels through a six-face cube projection technique, enabling efficient labeling of depth in 360-degree images. This method leverages the increasing availability of large datasets. It includes two main stages: offline mask generation for invalid regions and an online semi-supervised joint training regime. We tested our approach on benchmark datasets such as Matterport3D and Stanford2D3D, showing significant improvements in depth estimation accuracy, particularly in zero-shot scenarios. Our proposed training pipeline can enhance any 360 monocular depth estimator and demonstrate effective knowledge transfer across different camera projections and data types.

The need for effective unlearning mechanisms in large language models (LLMs) is increasingly urgent, driven by the necessity to adhere to data regulations and foster ethical generative AI practices. LLM unlearning is designed to reduce the impact of undesirable data influences and associated model capabilities without diminishing the utility of the model if unrelated to the information being forgotten. Despite growing interest, much of the existing research has focused on varied unlearning method designs to boost effectiveness and efficiency. However, the inherent relationship between model weights and LLM unlearning has not been extensively examined. In this paper, we systematically explore how model weights interact with unlearning processes in LLMs and we design the weight attribution-guided LLM unlearning method, WAGLE, which unveils the interconnections between 'influence' of weights and 'influence' of data to forget and retain in LLM generation. By strategically guiding the LLM unlearning across different types of unlearning methods and tasks, WAGLE can erase the undesired content, while maintaining the performance of the original tasks. We refer to the weight attribution-guided LLM unlearning method as WAGLE, which unveils the interconnections between 'influence' of weights and 'influence' of data to forget and retain in LLM generation. Our extensive experiments show that WAGLE boosts unlearning performance across a range of LLM unlearning methods such as gradient difference and (negative) preference optimization, applications such as fictitious unlearning (TOFU benchmark), malicious use prevention (WMDP benchmark), and copyrighted information removal, and models including Zephyr-7b-beta and Llama2-7b. To the best of our knowledge, our work offers the first principled method for attributing and pinpointing the influential weights in enhancing LLM unlearning. It stands in contrast to previous methods that lack weight attribution and simpler weight attribution techniques.

Graph Neural Networks (GNNs), a type of neural network that can learn from graph-structured data through neighborhood information aggregation, have shown superior performance in various downstream tasks. However, as the number of layers increases, node representations becomes indistinguishable, which is known as over-smoothing. To address this issue, many residual methods have emerged. In this paper, we focus on the over-smoothing issue and related residual methods. Firstly, we revisit over-smoothing from the perspective of overlapping neighborhood subgraphs, and based on this, we explain how residual methods can alleviate over-smoothing by integrating multiple orders neighborhood subgraphs to avoid the indistinguishability of the single high-order neighborhood subgraphs. Additionally, we reveal the drawbacks of previous residual methods, such as the lack of node adaptability and severe loss of high-order neighborhood subgraph information, and propose a \textbf{Posterior-Sampling-based, Node-Adaptive Residual module (PSNR)}. We theoretically demonstrate that PSNR can alleviate the drawbacks of previous residual methods. Furthermore, extensive experiments verify the superiority of the PSNR module in fully observed node classification and missing feature scenarios. Our code is available at \href{https://github.com/jingbo02/PSNR-GNN}{https://github.com/jingbo02/PSNR-GNN}.

We develop a theoretically-grounded learning method for the Generalized Linear Programming Value Function (GVF), which models the optimal value of a linear programming (LP) problem as its objective and constraint bounds vary. This function plays a fundamental role in algorithmic techniques for large-scale optimization, particularly in decomposition for two-stage mixed-integer linear programs (MILPs). This paper establishes a structural characterization of the GVF that enables it to be modeled as a particular neural network architecture, which we then use to learn the GVF in a way that benefits from three notable properties. First, our method produces a true under-approximation of the value function with respect to the constraint bounds. Second, the model is input-convex in the constraint bounds, which not only matches the structure of the GVF but also enables the trained model to be efficiently optimized over using LP. Finally, our learning method is unsupervised, meaning that training data generation does not require computing LP optimal values, which can be prohibitively expensive at large scales. We numerically show that our method can approximate the GVF well, even when compared to supervised methods that collect training data by solving an LP for each data point. Furthermore, as an application of our framework, we develop a fast heuristic method for large-scale two-stage MILPs with continuous second-stage variables, via a compact reformulation that can be solved faster than the full model linear relaxation at large scales and orders of magnitude faster than the original model.

Reinforcement Learning (RL) utilizing kernel ridge regression to predict the expected value function represents a powerful method with great representational capacity. This setting is a highly versatile framework amenable to analytical results. We consider kernel-based function approximation for RL in the infinite horizon average reward setting, also referred to as the undiscounted setting. We propose an *optimistic* algorithm, similar to acquisition function based algorithms in the special case of bandits. We establish novel *no-regret* performance guarantees for our algorithm, under kernel-based modelling assumptions. Additionally, we derive a novel confidence interval for the kernel-based prediction of the expected value function, applicable across various RL problems.

The operations and maintenance of satellite networks heavily depend on traffic measurements. Due to the large-scale and highly dynamic nature of satellite networks, global measurement encounters significant challenges in terms of complexity and overhead. Estimating global network traffic data from partial traffic measurements is a promising solution. However, the majority of current estimation methods concentrate on low-rank linear decomposition, which is unable to accurately estimate. The reason lies in its inability to capture the intricate nonlinear spatio-temporal relationship found in large-scale, highly dynamic traffic data. This paper proposes Satformer, an accurate and robust method for estimating traffic data in satellite networks. In Satformer, we innovatively incorporate an adaptive sparse spatio-temporal attention mechanism. In the mechanism, more attention is paid to specific local regions of the input tensor to improve the model's sensitivity on details and patterns. This method enhances its capability to capture nonlinear spatio-temporal relationships. Experiments on small, medium, and large-scale satellite networks datasets demonstrate that Satformer outperforms mathematical and neural baseline methods notably. It provides substantial improvements in reducing errors and maintaining robustness, especially for larger networks. The approach shows promise for deployment in actual systems.

Pipeline parallelism has been widely explored, but most existing schedules lack a systematic methodology. In this paper, we propose a framework to decompose pipeline schedules as repeating a building block, and show that the lifespan of the building block decides the peak activation memory of the pipeline schedule. Guided by the observations, we find that almost all existing pipeline schedules, to the best of our knowledge, are memory inefficient. To address this, we introduce a family of memory efficient building blocks with controllable activation memory, which can reduce the peak activation memory to 1/2 of 1F1B without sacrificing efficiency, and even to 1/3 with comparable throughput. We can also achieve almost zero pipeline bubbles while maintaining the same activation memory as 1F1B. Our evaluations demonstrate that in pure pipeline parallelism settings, our methods outperform 1F1B by from 7\% to 55\% in terms of throughput. When employing a grid search over hybrid parallelism hyperparameters in practical scenarios, our methods demonstrate a 16\% throughput improvement over the 1F1B baseline for large language models. The implementation is open-sourced at https://github.com/sail-sg/zero-bubble-pipeline-parallelism.