NeurIPS 2023 论文列表

To avoid failures on out-of-distribution data, recent works have sought to extract features that have an invariant or stable relationship with the label across domains, discarding "spurious" or unstable features whose relationship with the label changes across domains. However, unstable features often carry complementary information that could boost performance if used correctly in the test domain. In this work, we show how this can be done without test-domain labels. In particular, we prove that pseudo-labels based on stable features provide sufficient guidance for doing so, provided that stable and unstable features are conditionally independent given the label. Based on this theoretical insight, we propose Stable Feature Boosting (SFB), an algorithm for: (i) learning a predictor that separates stable and conditionally-independent unstable features; and (ii) using the stable-feature predictions to adapt the unstable-feature predictions in the test domain. Theoretically, we prove that SFB can learn an asymptotically-optimal predictor without test-domain labels. Empirically, we demonstrate the effectiveness of SFB on real and synthetic data.

Multi-source domain adaptation (MSDA) methods aim to transfer knowledge from multiple labeled source domains to an unlabeled target domain. Although current methods achieve target joint distribution identifiability by enforcing minimal changes across domains, they often necessitate stringent conditions, such as an adequate number of domains, monotonic transformation of latent variables, and invariant label distributions. These requirements are challenging to satisfy in real-world applications. To mitigate the need for these strict assumptions, we propose a subspace identification theory that guarantees the disentanglement of domain-invariant and domain-specific variables under less restrictive constraints regarding domain numbers and transformation properties and thereby facilitating domain adaptation by minimizing the impact of domain shifts on invariant variables. Based on this theory, we develop a Subspace Identification Guarantee (SIG) model that leverages variational inference. Furthermore, the SIG model incorporates class-aware conditional alignment to accommodate target shifts where label distributions change with the domain. Experimental results demonstrate that our SIG model outperforms existing MSDA techniques on various benchmark datasets, highlighting its effectiveness in real-world applications.

Restricting the variance of a policy’s return is a popular choice in risk-averse Reinforcement Learning (RL) due to its clear mathematical definition and easy interpretability. Traditional methods directly restrict the total return variance. Recent methods restrict the per-step reward variance as a proxy. We thoroughly examine the limitations of these variance-based methods, such as sensitivity to numerical scale and hindering of policy learning, and propose to use an alternative risk measure, Gini deviation, as a substitute. We study various properties of this new risk measure and derive a policy gradient algorithm to minimize it. Empirical evaluation in domains where risk-aversion can be clearly defined, shows that our algorithm can mitigate the limitations of variance-based risk measures and achieves high return with low risk in terms of variance and Gini deviation when others fail to learn a reasonable policy.

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.

Transformer-based trackers have achieved strong accuracy on the standard benchmarks. However, their efficiency remains an obstacle to practical deployment on both GPU and CPU platforms. In this paper, to overcome this issue, we propose a fully transformer tracking framework, coined as \emph{MixFormerV2}, without any dense convolutional operation and complex score prediction module. Our key design is to introduce four special prediction tokens and concatenate them with the tokens from target template and search areas. Then, we apply the unified transformer backbone on these mixed token sequence. These prediction tokens are able to capture the complex correlation between target template and search area via mixed attentions. Based on them, we can easily predict the tracking box and estimate its confidence score through simple MLP heads. To further improve the efficiency of MixFormerV2, we present a new distillation-based model reduction paradigm, including dense-to-sparse distillation and deep-to-shallow distillation. The former one aims to transfer knowledge from the dense-head based MixViT to our fully transformer tracker, while the latter one is used to prune some layers of the backbone. We instantiate two types of MixForemrV2, where the MixFormerV2-B achieves an AUC of 70.6\% on LaSOT and AUC of 56.7\% on TNL2k with a high GPU speed of 165 FPS, and the MixFormerV2-S surpasses FEAR-L by 2.7\% AUC on LaSOT with a real-time CPU speed.

In this paper, we take a new look at real-world image super-resolution (real-SR) from a multi-task learning perspective. We demonstrate that the conventional formulation of real-SR can be viewed as solving multiple distinct degradation tasks using a single shared model. This poses a challenge known as task competition or task conflict in multi-task learning, where certain tasks dominate the learning process, resulting in poor performance on other tasks. This problem is exacerbated in the case of real-SR, due to the involvement of numerous degradation tasks. To address the issue of task competition in real-SR, we propose a task grouping approach. Our approach efficiently identifies the degradation tasks where a real-SR model falls short and groups these unsatisfactory tasks into multiple task groups. We then utilize the task groups to fine-tune the real-SR model in a simple way, which effectively mitigates task competition and facilitates knowledge transfer. Extensive experiments demonstrate our method achieves significantly enhanced performance across a wide range of degradation scenarios.

Knowledge distillation (KD) has been widely used to improve the test accuracy of a "student" network, by training it to mimic the soft probabilities of a trained "teacher" network. Yet, it has been shown in recent work that, despite being trained to fit the teacher's probabilities, the student may not only significantly deviate from the teacher probabilities, but may also outdo than the teacher in performance. Our work aims to reconcile this seemingly paradoxical observation. Specifically, we characterize the precise nature of the student-teacher deviations, and argue how they _can_ co-occur with better generalization. First, through experiments on image and language data, we identify that these probability deviations correspond to the student systematically _exaggerating_ the confidence levels of the teacher. Next, we theoretically and empirically establish another form of exaggeration in some simple settings: KD exaggerates the implicit bias of gradient descent in converging faster along the top eigendirections of the data. Finally, we tie these two observations together: we demonstrate that the exaggerated bias of KD can simultaneously result in both (a) the exaggeration of confidence and (b) the improved generalization of the student, thus offering a resolution to the apparent paradox. Our analysis brings existing theory and practice closer by considering the role of gradient descent in KD and by demonstrating the exaggerated bias effect in both theoretical and empirical settings.

Lipschitz bandit is a variant of stochastic bandits that deals with a continuous arm set defined on a metric space, where the reward function is subject to a Lipschitz constraint. In this paper, we introduce a new problem of Lipschitz bandits in the presence of adversarial corruptions where an adaptive adversary corrupts the stochastic rewards up to a total budget $C$. The budget is measured by the sum of corruption levels across the time horizon $T$. We consider both weak and strong adversaries, where the weak adversary is unaware of the current action before the attack, while the strong one can observe it. Our work presents the first line of robust Lipschitz bandit algorithms that can achieve sub-linear regret under both types of adversary, even when the total budget of corruption $C$ is unrevealed to the agent. We provide a lower bound under each type of adversary, and show that our algorithm is optimal under the strong case. Finally, we conduct experiments to illustrate the effectiveness of our algorithms against two classic kinds of attacks.

Simulation with realistic, interactive agents represents a key task for autonomous vehicle software development. In this work, we introduce the Waymo Open Sim Agents Challenge (WOSAC). WOSAC is the first public challenge to tackle this task and propose corresponding metrics. The goal of the challenge is to stimulate the design of realistic simulators that can be used to evaluate and train a behavior model for autonomous driving. We outline our evaluation methodology, present results for a number of different baseline simulation agent methods, and analyze several submissions to the 2023 competition which ran from March 16, 2023 to May 23, 2023. The WOSAC evaluation server remains open for submissions and we discuss open problems for the task.

The field of trajectory forecasting has grown significantly in recent years, partially owing to the release of numerous large-scale, real-world human trajectory datasets for autonomous vehicles (AVs) and pedestrian motion tracking. While such datasets have been a boon for the community, they each use custom and unique data formats and APIs, making it cumbersome for researchers to train and evaluate methods across multiple datasets. To remedy this, we present trajdata: a unified interface to multiple human trajectory datasets. At its core, trajdata provides a simple, uniform, and efficient representation and API for trajectory and map data. As a demonstration of its capabilities, in this work we conduct a comprehensive empirical evaluation of existing trajectory datasets, providing users with a rich understanding of the data underpinning much of current pedestrian and AV motion forecasting research, and proposing suggestions for future datasets from these insights. trajdata is permissively licensed (Apache 2.0) and can be accessed online at https://github.com/NVlabs/trajdata.

The gold standard for causal model evaluation involves comparing model predictions with true effects estimated from randomized controlled trials (RCT). However, RCTs are not always feasible or ethical to perform. In contrast, conditionally randomized experiments based on inverse probability weighting (IPW) offer a more realistic approach but may suffer from high estimation variance. To tackle this challenge and enhance causal model evaluation in real-world conditional randomization settings, we introduce a novel low-variance estimator for causal error, dubbed as the pairs estimator. By applying the same IPW estimator to both the model and true experimental effects, our estimator effectively cancels out the variance due to IPW and achieves a smaller asymptotic variance. Empirical studies demonstrate the improved of our estimator, highlighting its potential on achieving near-RCT performance. Our method offers a simple yet powerful solution to evaluate causal inference models in conditional randomization settings without complicated modification of the IPW estimator itself, paving the way for more robust and reliable model assessments.

Learning to represent and simulate the dynamics of physical systems is a crucial yet challenging task. Existing equivariant Graph Neural Network (GNN) based methods have encapsulated the symmetry of physics, \emph{e.g.}, translations, rotations, etc, leading to better generalization ability. Nevertheless, their frame-to-frame formulation of the task overlooks the non-Markov property mainly incurred by unobserved dynamics in the environment. In this paper, we reformulate dynamics simulation as a spatio-temporal prediction task, by employing the trajectory in the past period to recover the Non-Markovian interactions. We propose Equivariant Spatio-Temporal Attentive Graph Networks (ESTAG), an equivariant version of spatio-temporal GNNs, to fulfil our purpose. At its core, we design a novel Equivariant Discrete Fourier Transform (EDFT) to extract periodic patterns from the history frames, and then construct an Equivariant Spatial Module (ESM) to accomplish spatial message passing, and an Equivariant Temporal Module (ETM) with the forward attention and equivariant pooling mechanisms to aggregate temporal message. We evaluate our model on three real datasets corresponding to the molecular-, protein- and macro-level. Experimental results verify the effectiveness of ESTAG compared to typical spatio-temporal GNNs and equivariant GNNs.

Expected Improvement (EI) is arguably the most popular acquisition function in Bayesian optimization and has found countless successful applications, but its performance is often exceeded by that of more recent methods. Notably, EI and its variants, including for the parallel and multi-objective settings, are challenging to optimize because their acquisition values vanish numerically in many regions. This difficulty generally increases as the number of observations, dimensionality of the search space, or the number of constraints grow, resulting in performance that is inconsistent across the literature and most often sub-optimal. Herein, we propose LogEI, a new family of acquisition functions whose members either have identical or approximately equal optima as their canonical counterparts, but are substantially easier to optimize numerically. We demonstrate that numerical pathologies manifest themselves in “classic” analytic EI, Expected Hypervolume Improvement (EHVI), as well as their constrained, noisy, and parallel variants, and propose corresponding reformulations that remedy these pathologies. Our empirical results show that members of the LogEI family of acquisition functions substantially improve on the optimization performance of their canonical counterparts and surprisingly, are on par with or exceed the performance of recent state-of-the-art acquisition functions, highlighting the understated role of numerical optimization in the literature.

Spectral embedding is a powerful graph embedding technique that has received a lot of attention recently due to its effectiveness on Graph Transformers. However, from a theoretical perspective, the universal expressive power of spectral embedding comes at the price of losing two important invariance properties of graphs, sign and basis invariance, which also limits its effectiveness on graph data. To remedy this issue, many previous methods developed costly approaches to learn new invariants and suffer from high computation complexity. In this work, we explore a minimal approach that resolves the ambiguity issues by directly finding canonical directions for the eigenvectors, named Laplacian Canonization (LC). As a pure pre-processing method, LC is light-weighted and can be applied to any existing GNNs. We provide a thorough investigation, from theory to algorithm, on this approach, and discover an efficient algorithm named Maximal Axis Projection (MAP) that works for both sign and basis invariance and successfully canonizes more than 90\% of all eigenvectors. Experiments on real-world benchmark datasets like ZINC, MOLTOX21, and MOLPCBA show that MAP consistently outperforms existing methods while bringing minimal computation overhead. Code is available at https://github.com/PKU-ML/LaplacianCanonization.

A wide array of modern machine learning applications – from adversarial models to multi-agent reinforcement learning – can be formulated as non-cooperative games whose Nash equilibria represent the system’s desired operational states. Despite having a highly non-convex loss landscape, many cases of interest possess a latent convex structure that could potentially be leveraged to yield convergence to an equilibrium. Driven by this observation, our paper proposes a flexible first-order method that successfully exploits such “hidden structures” and achieves convergence under minimal assumptions for the transformation connecting the players’ control variables to the game’s latent, convex-structured layer. The proposed method – which we call preconditioned hidden gradient descent (PHGD) – hinges on a judiciously chosen gradient preconditioning scheme related to natural gradient methods. Importantly, we make no separability assumptions for the game’s hidden structure, and we provide explicit convergence rate guarantees for both deterministic and stochastic environments.