NeurIPS 2023 论文列表

As a powerful framework for graph representation learning, Graph Neural Networks (GNNs) have garnered significant attention in recent years. However, to the best of our knowledge, there has been no formal analysis of the logical expressiveness of GNNs as Boolean node classifiers over multi-relational graphs, where each edge carries a specific relation type. In this paper, we investigate $\mathcal{FOC}_2$, a fragment of first-order logic with two variables and counting quantifiers. On the negative side, we demonstrate that the R$^2$-GNN architecture, which extends the local message passing GNN by incorporating global readout, fails to capture $\mathcal{FOC}_2$ classifiers in the general case. Nevertheless, on the positive side, we establish that R$^2$-GNNs models are equivalent to $\mathcal{FOC}_2$ classifiers under certain restricted yet reasonable scenarios. To address the limitations of R$^2$-GNNs regarding expressiveness, we propose a simple graph transformation technique, akin to a preprocessing step, which can be executed in linear time. This transformation enables R$^2$-GNNs to effectively capture any $\mathcal{FOC}_2$ classifiers when applied to the "transformed" input graph. Moreover, we extend our analysis of expressiveness and graph transformation to temporal graphs, exploring several temporal GNN architectures and providing an expressiveness hierarchy for them. To validate our findings, we implement R$^2$-GNNs and the graph transformation technique and conduct empirical tests in node classification tasks against various well-known GNN architectures that support multi-relational or temporal graphs. Our experimental results consistently demonstrate that R$^2$-GNN with the graph transformation outperforms the baseline methods on both synthetic and real-world datasets

Exemplar-free class-incremental learning (CIL) poses several challenges since it prohibits the rehearsal of data from previous tasks and thus suffers from catastrophic forgetting. Recent approaches to incrementally learning the classifier by freezing the feature extractor after the first task have gained much attention. In this paper, we explore prototypical networks for CIL, which generate new class prototypes using the frozen feature extractor and classify the features based on the Euclidean distance to the prototypes. In an analysis of the feature distributions of classes, we show that classification based on Euclidean metrics is successful for jointly trained features. However, when learning from non-stationary data, we observe that the Euclidean metric is suboptimal and that feature distributions are heterogeneous. To address this challenge, we revisit the anisotropic Mahalanobis distance for CIL. In addition, we empirically show that modeling the feature covariance relations is better than previous attempts at sampling features from normal distributions and training a linear classifier. Unlike existing methods, our approach generalizes to both many- and few-shot CIL settings, as well as to domain-incremental settings. Interestingly, without updating the backbone network, our method obtains state-of-the-art results on several standard continual learning benchmarks. Code is available at https://github.com/dipamgoswami/FeCAM.

While semantic segmentation has seen tremendous improvements in the past, there are still significant labeling efforts necessary and the problem of limited generalization to classes that have not been present during training. To address this problem, zero-shot semantic segmentation makes use of large self-supervised vision-language models, allowing zero-shot transfer to unseen classes. In this work, we build a benchmark for Multi-domain Evaluation of Zero-Shot Semantic Segmentation (MESS), which allows a holistic analysis of performance across a wide range of domain-specific datasets such as medicine, engineering, earth monitoring, biology, and agriculture. To do this, we reviewed 120 datasets, developed a taxonomy, and classified the datasets according to the developed taxonomy. We select a representative subset consisting of 22 datasets and propose it as the MESS benchmark. We evaluate eight recently published models on the proposed MESS benchmark and analyze characteristics for the performance of zero-shot transfer models. The toolkit is available at https://github.com/blumenstiel/MESS.

While ensuring stability for linear systems is well understood, it remains a major challenge for nonlinear systems. A general approach in such cases is to compute a combination of a Lyapunov function and an associated control policy. However, finding Lyapunov functions for general nonlinear systems is a challenging task. To address this challenge, several methods have been proposed that represent Lyapunov functions using neural networks. However, such approaches either focus on continuous-time systems, or highly restricted classes of nonlinear dynamics. We propose the first approach for learning neural Lyapunov control in a broad class of discrete-time systems. Three key ingredients enable us to effectively learn provably stable control policies. The first is a novel mixed-integer linear programming approach for verifying the discrete-time Lyapunov stability conditions, leveraging the particular structure of these conditions. The second is a novel approach for computing verified sublevel sets. The third is a heuristic gradient-based method for quickly finding counterexamples to significantly speed up Lyapunov function learning. Our experiments on four standard benchmarks demonstrate that our approach significantly outperforms state-of-the-art baselines. For example, on the path tracking benchmark, we outperform recent neural Lyapunov control baselines by an order of magnitude in both running time and the size of the region of attraction, and on two of the four benchmarks (cartpole and PVTOL), ours is the first automated approach to return a provably stable controller. Our code is available at: https://github.com/jlwu002/nlc_discrete.

Robotic perception requires the modeling of both 3D geometry and semantics. Existing methods typically focus on estimating 3D bounding boxes, neglecting finer geometric details and struggling to handle general, out-of-vocabulary objects. 3D occupancy prediction, which estimates the detailed occupancy states and semantics of a scene, is an emerging task to overcome these limitations. To support 3D occupancy prediction, we develop a label generation pipeline that produces dense, visibility-aware labels for any given scene. This pipeline comprises three stages: voxel densification, occlusion reasoning, and image-guided voxel refinement. We establish two benchmarks, derived from the Waymo Open Dataset and the nuScenes Dataset, namely Occ3D-Waymo and Occ3D-nuScenes benchmarks. Furthermore, we provide an extensive analysis of the proposed dataset with various baseline models. Lastly, we propose a new model, dubbed Coarse-to-Fine Occupancy (CTF-Occ) network, which demonstrates superior performance on the Occ3D benchmarks.The code, data, and benchmarks are released at \url{https://tsinghua-mars-lab.github.io/Occ3D/}.

We focus on the task of approximating the optimal value function in deep reinforcement learning. This iterative process is comprised of solving a sequence of optimization problems where the loss function changes per iteration. The common approach to solving this sequence of problems is to employ modern variants of the stochastic gradient descent algorithm such as Adam. These optimizers maintain their own internal parameters such as estimates of the first-order and the second-order moments of the gradient, and update them over time. Therefore, information obtained in previous iterations is used to solve the optimization problem in the current iteration. We demonstrate that this can contaminate the moment estimates because the optimization landscape can change arbitrarily from one iteration to the next one. To hedge against this negative effect, a simple idea is to reset the internal parameters of the optimizer when starting a new iteration. We empirically investigate this resetting idea by employing various optimizers in conjunction with the Rainbow algorithm. We demonstrate that this simple modification significantly improves the performance of deep RL on the Atari benchmark.

Counterfactual fairness requires that a person would have been classified in the same way by an AI or other algorithmic system if they had a different protected class, such as a different race or gender. This is an intuitive standard, as reflected in the U.S. legal system, but its use is limited because counterfactuals cannot be directly observed in real-world data. On the other hand, group fairness metrics (e.g., demographic parity or equalized odds) are less intuitive but more readily observed. In this paper, we use \textit{causal context} to bridge the gaps between counterfactual fairness, robust prediction, and group fairness. First, we motivate counterfactual fairness by showing that there is not necessarily a fundamental trade-off between fairness and accuracy because, under plausible conditions, the counterfactually fair predictor is in fact accuracy-optimal in an unbiased target distribution. Second, we develop a correspondence between the causal graph of the data-generating process and which, if any, group fairness metrics are equivalent to counterfactual fairness. Third, we show that in three common fairness contexts—measurement error, selection on label, and selection on predictors—counterfactual fairness is equivalent to demographic parity, equalized odds, and calibration, respectively. Counterfactual fairness can sometimes be tested by measuring relatively simple group fairness metrics.

Dataset condensation is a crucial tool for enhancing training efficiency by reducing the size of the training dataset, particularly in on-device scenarios. However, these scenarios have two significant challenges: 1) the varying computational resources available on the devices require a dataset size different from the pre-defined condensed dataset, and 2) the limited computational resources often preclude the possibility of conducting additional condensation processes. We introduce You Only Condense Once (YOCO) to overcome these limitations. On top of one condensed dataset, YOCO produces smaller condensed datasets with two embarrassingly simple dataset pruning rules: Low LBPE Score and Balanced Construction. YOCO offers two key advantages: 1) it can flexibly resize the dataset to fit varying computational constraints, and 2) it eliminates the need for extra condensation processes, which can be computationally prohibitive. Experiments validate our findings on networks including ConvNet, ResNet and DenseNet, and datasets including CIFAR-10, CIFAR-100 and ImageNet. For example, our YOCO surpassed various dataset condensation and dataset pruning methods on CIFAR-10 with ten Images Per Class (IPC), achieving 6.98-8.89% and 6.31-23.92% accuracy gains, respectively. The code is available at: [https://github.com/he-y/you-only-condense-once](https://github.com/he-y/you-only-condense-once).

We systematically analyze optimization dynamics in deep neural networks (DNNs) trained with stochastic gradient descent (SGD) and study the effect of learning rate $\eta$, depth $d$, and width $w$ of the neural network. By analyzing the maximum eigenvalue $\lambda^H_t$ of the Hessian of the loss, which is a measure of sharpness of the loss landscape, we find that the dynamics can show four distinct regimes: (i) an early time transient regime, (ii) an intermediate saturation regime, (iii) a progressive sharpening regime, and (iv) a late time "edge of stability" regime. The early and intermediate regimes (i) and (ii) exhibit a rich phase diagram depending on $\eta \equiv c / \lambda_0^H $, $d$, and $w$. We identify several critical values of $c$, which separate qualitatively distinct phenomena in the early time dynamics of training loss and sharpness. Notably, we discover the opening up of a "sharpness reduction" phase, where sharpness decreases at early times, as $d$ and $ 1/w$ are increased.

Modern predictive models are often deployed to environments in which computational budgets are dynamic. Anytime algorithms are well-suited to such environments as, at any point during computation, they can output a prediction whose quality is a function of computation time. Early-exit neural networks have garnered attention in the context of anytime computation due to their capability to provide intermediate predictions at various stages throughout the network. However, we demonstrate that current early-exit networks are not directly applicable to anytime settings, as the quality of predictions for individual data points is not guaranteed to improve with longer computation. To address this shortcoming, we propose an elegant post-hoc modification, based on the Product-of-Experts, that encourages an early-exit network to become gradually confident. This gives our deep models the property of *conditional monotonicity* in the prediction quality---an essential building block towards truly anytime predictive modeling using early-exit architectures. Our empirical results on standard image-classification tasks demonstrate that such behaviors can be achieved while preserving competitive accuracy on average.

Collaborative learning techniques have significantly advanced in recent years, enabling private model training across multiple organizations. Despite this opportunity, firms face a dilemma when considering data sharing with competitors—while collaboration can improve a company’s machine learning model, it may also benefit competitors and hence reduce profits. In this work, we introduce a general framework for analyzing this data-sharing trade-off. The framework consists of three components, representing the firms’ production decisions, the effect of additional data on model quality, and the data-sharing negotiation process, respectively. We then study an instantiation of the framework, based on a conventional market model from economic theory, to identify key factors that affect collaboration incentives. Our findings indicate a profound impact of market conditions on the data-sharing incentives. In particular, we find that reduced competition, in terms of the similarities between the firms’ products, and harder learning tasks foster collaboration.

In the past few years, there has been an explosive surge in the use of machine learning (ML) techniques to address combinatorial optimization (CO) problems, especially mixed-integer linear programs (MILPs). Despite the achievements, the limited availability of real-world instances often leads to sub-optimal decisions and biased solver assessments, which motivates a suite of synthetic MILP instance generation techniques. However, existing methods either rely heavily on expert-designed formulations or struggle to capture the rich features of real-world instances. To tackle this problem, we propose G2MILP, *the first* deep generative framework for MILP instances. Specifically, G2MILP represents MILP instances as bipartite graphs, and applies a masked variational autoencoder to iteratively corrupt and replace parts of the original graphs to generate new ones. The appealing feature of G2MILP is that it can learn to generate novel and realistic MILP instances without prior expert-designed formulations, while preserving the structures and computational hardness of real-world datasets, simultaneously. Thus the generated instances can facilitate downstream tasks for enhancing MILP solvers under limited data availability. We design a suite of benchmarks to evaluate the quality of the generated MILP instances. Experiments demonstrate that our method can produce instances that closely resemble real-world datasets in terms of both structures and computational hardness. The deliverables are released at [https://miralab-ustc.github.io/L2O-G2MILP](https://miralab-ustc.github.io/L2O-G2MILP).

We study the performance of empirical risk minimization on the $p$-norm linear regression problem for $p \in (1, \infty)$. We show that, in the realizable case, under no moment assumptions, and up to a distribution-dependent constant, $O(d)$ samples are enough to exactly recover the target. Otherwise, for $p \in [2, \infty)$, and under weak moment assumptions on the target and the covariates, we prove a high probability excess risk bound on the empirical risk minimizer whose leading term matches, up to a constant that depends only on $p$, the asymptotically exact rate. We extend this result to the case $p \in (1, 2)$ under mild assumptions that guarantee the existence of the Hessian of the risk at its minimizer.

We study multi-task representation learning for the problem of pure exploration in bilinear bandits. In bilinear bandits, an action takes the form of a pair of arms from two different entity types and the reward is a bilinear function of the known feature vectors of the arms. In the \textit{multi-task bilinear bandit problem}, we aim to find optimal actions for multiple tasks that share a common low-dimensional linear representation. The objective is to leverage this characteristic to expedite the process of identifying the best pair of arms for all tasks. We propose the algorithm GOBLIN that uses an experimental design approach to optimize sample allocations for learning the global representation as well as minimize the number of samples needed to identify the optimal pair of arms in individual tasks. To the best of our knowledge, this is the first study to give sample complexity analysis for pure exploration in bilinear bandits with shared representation. Our results demonstrate that by learning the shared representation across tasks, we achieve significantly improved sample complexity compared to the traditional approach of solving tasks independently.

Recent research has highlighted the importance of dataset size in scaling language models. However, large language models (LLMs) are notoriously token-hungry during pre-training, and high-quality text data on the web is likely to be approaching its scaling limit for LLMs. To further enhance LLMs, a straightforward approach is to repeat the pre-training data for additional epochs. In this study, we empirically investigate three key aspects under this approach. First, we explore the consequences of repeating pre-training data, revealing that the model is susceptible to overfitting, leading to multi-epoch degradation. Second, we examine the key factors contributing to multi-epoch degradation, finding that significant factors include dataset size, model parameters, and training objectives, while less influential factors consist of dataset quality and model FLOPs. Finally, we explore whether widely used regularization can alleviate multi-epoch degradation. Most regularization techniques do not yield significant improvements, except for dropout, which demonstrates remarkable effectiveness but requires careful tuning when scaling up the model size. Additionally, we discover that leveraging mixture-of-experts (MoE) enables cost-effective and efficient hyper-parameter tuning for computationally intensive dense LLMs with comparable trainable parameters, potentially impacting efficient LLM development on a broader scale.

We study a generalization of the online binary prediction with expert advice framework where at each round, the learner is allowed to pick $m\geq 1$ experts from a pool of $K$ experts and the overall utility is a modular or submodular function of the chosen experts. We focus on the setting in which experts act strategically and aim to maximize their influence on the algorithm's predictions by potentially misreporting their beliefs about the events. Among others, this setting finds applications in forecasting competitions where the learner seeks not only to make predictions by aggregating different forecasters but also to rank them according to their relative performance. Our goal is to design algorithms that satisfy the following two requirements: 1) \emph{Incentive-compatible}: Incentivize the experts to report their beliefs truthfully, and 2) \emph{No-regret}: Achieve sublinear regret with respect to the true beliefs of the best fixed set of $m$ experts in hindsight. Prior works have studied this framework when $m=1$ and provided incentive-compatible no-regret algorithms for the problem. We first show that a simple reduction of our problem to the $m=1$ setting is neither efficient nor effective. Then, we provide algorithms that utilize the specific structure of the utility functions to achieve the two desired goals.

Vertical Federated Learning (VFL) is a collaborative machine learning paradigm that enables multiple participants to jointly train a model on their private data without sharing it. To make VFL practical, privacy security and communication efficiency should both be satisfied. Recent research has shown that Zero-Order Optimization (ZOO) in VFL can effectively conceal the internal information of the model without adding costly privacy protective add-ons, making it a promising approach for privacy and efficiency. However, there are still two key problems that have yet to be resolved. First, the convergence rate of ZOO-based VFL is significantly slower compared to gradient-based VFL, resulting in low efficiency in model training and more communication round, which hinders its application on large neural networks. Second, although ZOO-based VFL has demonstrated resistance to state-of-the-art (SOTA) attacks, its privacy guarantee lacks a theoretical explanation. To address these challenges, we propose a novel cascaded hybrid optimization approach that employs a zeroth-order (ZO) gradient on the most critical output layer of the clients, with other parts utilizing the first-order (FO) gradient. This approach preserves the privacy protection of ZOO while significantly enhancing convergence. Moreover, we theoretically prove that applying ZOO to the VFL is equivalent to adding Gaussian Mechanism to the gradient information, which offers an implicit differential privacy guarantee. Experimental results demonstrate that our proposed framework achieves similar utility as the Gaussian mechanism under the same privacy budget, while also having significantly lower communication costs compared with SOTA communication-efficient VFL frameworks.

Exploration strategy plays an important role in reinforcement learning, especially in sparse-reward tasks. In cooperative multi-agent reinforcement learning~(MARL), designing a suitable exploration strategy is much more challenging due to the large state space and the complex interaction among agents. Currently, mainstream exploration methods in MARL either contribute to exploring the unfamiliar states which are large and sparse, or measuring the interaction among agents with high computational costs. We found an interesting phenomenon that different kinds of exploration plays a different role in different MARL scenarios, and choosing a suitable one is often more effective than designing an exquisite algorithm. In this paper, we propose a exploration method that incorporate the \underline{C}uri\underline{O}sity-based and \underline{IN}fluence-based exploration~(COIN) which is simple but effective in various situations. First, COIN measures the influence of each agent on the other agents based on mutual information theory and designs it as intrinsic rewards which are applied to each individual value function. Moreover, COIN computes the curiosity-based intrinsic rewards via prediction errors which are added to the extrinsic reward. For integrating the two kinds of intrinsic rewards, COIN utilizes a novel framework in which they complement each other and lead to a sufficient and effective exploration on cooperative MARL tasks. We perform extensive experiments on different challenging benchmarks, and results across different scenarios show the superiority of our method.

Cross-device Federated Learning (FL) faces significant challenges where low-end clients that could potentially make unique contributions are excluded from training large models due to their resource bottlenecks. Recent research efforts have focused on model-heterogeneous FL, by extracting reduced-size models from the global model and applying them to local clients accordingly. Despite the empirical success, general theoretical guarantees of convergence on this method remain an open question. This paper presents a unifying framework for heterogeneous FL algorithms with online model extraction and provides a general convergence analysis for the first time. In particular, we prove that under certain sufficient conditions and for both IID and non-IID data, these algorithms converge to a stationary point of standard FL for general smooth cost functions. Moreover, we introduce the concept of minimum coverage index, together with model reduction noise, which will determine the convergence of heterogeneous federated learning, and therefore we advocate for a holistic approach that considers both factors to enhance the efficiency of heterogeneous federated learning.