ICML 2024 论文列表

Real-time inference is a challenge of real-world reinforcement learning due to temporal differences in time-varying environments: the system collects data from the past, updates the decision model in the present, and deploys it in the future. We tackle a common belief that continually updating the decision is optimal to minimize the temporal gap. We propose forecasting an online reinforcement learning framework and show that strategically pausing decision updates yields better overall performance by effectively managing aleatoric uncertainty. Theoretically, we compute an optimal ratio between policy update and hold duration, and show that a non-zero policy hold duration provides a sharper upper bound on the dynamic regret. Our experimental evaluations on three different environments also reveal that a non-zero policy hold duration yields higher rewards compared to continuous decision updates.

We show that deep ensembles become equivariant for all inputs and at all training times by simply using data augmentation. Crucially, equivariance holds off-manifold and for any architecture in the infinite width limit. The equivariance is emergent in the sense that predictions of individual ensemble members are not equivariant but their collective prediction is. Neural tangent kernel theory is used to derive this result and we verify our theoretical insights using detailed numerical experiments.

Establishing robust policies is essential to counter attacks or disturbances affecting deep reinforcement learning (DRL) agents. Recent studies explore state-adversarial robustness and suggest the potential lack of an optimal robust policy (ORP), posing challenges in setting strict robustness constraints. This work further investigates ORP: At first, we introduce a consistency assumption of policy (CAP) stating that optimal actions in the Markov decision process remain consistent with minor perturbations, supported by empirical and theoretical evidence. Building upon CAP, we crucially prove the existence of a deterministic and stationary ORP that aligns with the Bellman optimal policy. Furthermore, we illustrate the necessity of $L^{\infty}$-norm when minimizing Bellman error to attain ORP. This finding clarifies the vulnerability of prior DRL algorithms that target the Bellman optimal policy with $L^{1}$-norm and motivates us to train a Consistent Adversarial Robust Deep Q-Network (CAR-DQN) by minimizing a surrogate of Bellman Infinity-error. The top-tier performance of CAR-DQN across various benchmarks validates its practical effectiveness and reinforces the soundness of our theoretical analysis.

Temporal action abstractions, along with belief state representations, are a powerful knowledge sharing mechanism for sequential decision making. In this work, we propose a novel view that treats inducing temporal action abstractions as a sequence compression problem. To do so, we bring a subtle but critical component of LLM training pipelines -- input tokenization via byte pair encoding (BPE) -- to bear on the seemingly distant task of learning skills of variable time span in continuous control domains. We introduce an approach called Primitive Sequence Encoding (PRISE) that combines continuous action quantization with BPE to learn powerful action abstractions. We empirically show that high-level skills discovered by PRISE from a multitask set of robotic manipulation demonstrations significantly boost the learning performance of behavior cloning on downstream tasks.

Use of machine learning to perform database operations, such as indexing, cardinality estimation, and sorting, is shown to provide substantial performance benefits. However, when datasets change and data distribution shifts, empirical results also show performance degradation for learned models, possibly to worse than non-learned alternatives. This, together with a lack of theoretical understanding of learned methods undermines their practical applicability, since there are no guarantees on how well the models will perform after deployment. In this paper, we present the first known theoretical characterization of the performance of learned models in dynamic datasets, for the aforementioned operations. Our results show novel theoretical characteristics achievable by learned models and provide bounds on the performance of the models that characterize their advantages over non-learned methods, showing why and when learned models can outperform the alternatives. Our analysis develops the *distribution learnability* framework and novel theoretical tools which build the foundation for the analysis of learned database operations in the future.

Molecule synthesis through machine learning is one of the fundamental problems in drug discovery. Current data-driven strategies employ one-step retrosynthesis models and search algorithms to predict synthetic routes in a top-bottom manner. Despite their effective performance, these strategies face limitations in the molecule synthetic route generation due to a greedy selection of the next molecule set without any lookahead. Furthermore, existing strategies cannot control the generation of synthetic routes based on possible criteria such as material costs, yields, and step count. In this work, we propose a general and principled framework via conditional residual energy-based models (EBMs), that focus on the quality of the entire synthetic route based on the specific criteria. By incorporating an additional energy-based function into our probabilistic model, our proposed algorithm can enhance the quality of the most probable synthetic routes (with higher probabilities) generated by various strategies in a plug-and-play fashion. Extensive experiments demonstrate that our framework can consistently boost performance across various strategies and outperforms previous state-of-the-art top-1 accuracy by a margin of 2.5%. Code is available at https://github.com/SongtaoLiu0823/CREBM.

The performance of differentially private machine learning can be boosted significantly by leveraging the transfer learning capabilities of non-private models pretrained on large *public* datasets. We critically review this approach. We primarily question whether the use of large Web-scraped datasets *should* be viewed as differential-privacy-preserving. We further scrutinize whether existing machine learning benchmarks are appropriate for measuring the ability of pretrained models to generalize to sensitive domains. Finally, we observe that reliance on large pretrained models may lose *other* forms of privacy, requiring data to be outsourced to a more compute-powerful third party.

Complex physical systems are often described by partial differential equations (PDEs) that depend on parameters such as the Raynolds number in fluid mechanics. In applications such as design optimization or uncertainty quantification, solutions of those PDEs need to be evaluated at numerous points in the parameter space. While physics-informed neural networks (PINNs) have emerged as a new strong competitor as a surrogate, their usage in this scenario remains underexplored due to the inherent need for repetitive and time-consuming training. In this paper, we address this problem by proposing a novel extension, parameterized physics-informed neural networks (P$^2$INNs). P$^2$INNs enable modeling the solutions of parameterized PDEs via explicitly encoding a latent representation of PDE parameters. With the extensive empirical evaluation, we demonstrate that P$^2$INNs outperform the baselines both in accuracy and parameter efficiency on benchmark 1D and 2D parameterized PDEs and are also effective in overcoming the known “failure modes”.

This paper enhances image-GPT (iGPT), one of the pioneering works that introduce autoregressive pretraining to predict the next pixels for visual representation learning. Two simple yet essential changes are made. First, we shift the prediction target from raw pixels to semantic tokens, enabling a higher-level understanding of visual content. Second, we supplement the autoregressive modeling by instructing the model to predict not only the next tokens but also the visible tokens. This pipeline is particularly effective when semantic tokens are encoded by discriminatively trained models, such as CLIP. We introduce this novel approach as D-iGPT. Extensive experiments showcase that D-iGPT excels as a strong learner of visual representations: A notable achievement is its compelling performance on the ImageNet-1K dataset --- by training on publicly available datasets, D-iGPT unprecedentedly achieves **90.0%** top-1 accuracy with a vanilla ViT-H. Additionally, D-iGPT shows strong generalization on the downstream task. Code is available at https://github.com/OliverRensu/D-iGPT.

Recent advances in retrieval-augmented generation (RAG) have initiated a new era in repository-level code completion. However, the invariable use of retrieval in existing methods exposes issues in both efficiency and robustness, with a large proportion of the retrieved contexts proving unhelpful or harmful to code language models (code LMs). In this paper, we propose a selective RAG framework to avoid retrieval when unnecessary. To power this framework, we design a self-supervised learning approach to enable a code LM to accurately self-evaluate whether retrieval can improve its output quality and robustly leverage the potentially noisy retrieved contexts. Using this LM as both the selective RAG policy and the generation model, our framework achieves state-of-the-art repository-level code completion performance on diverse benchmarks including RepoEval, CrossCodeEval, and CrossCodeLongEval, a new long-form code completion benchmark. Meanwhile, our analyses show that selectively retrieving brings as much as 70% inference speedup in the online serving setting without harming the performance. We further demonstrate that our framework is able to accommodate different generation models, retrievers, and programming languages. These advancements position our framework as an important step towards more accurate and efficient repository-level code completion.

Data Shapley provides a principled approach to data valuation and plays a crucial role in data-centric machine learning (ML) research. Data selection is considered a standard application of Data Shapley. However, its data selection performance has shown to be inconsistent across settings in the literature. This study aims to deepen our understanding of this phenomenon. We introduce a hypothesis testing framework and show that Data Shapley's performance can be no better than random selection without specific constraints on utility functions. We identify a class of utility functions, monotonically transformed modular functions, within which Data Shapley optimally selects data. Based on this insight, we propose a heuristic for predicting Data Shapley’s effectiveness in data selection tasks. Our experiments corroborate these findings, adding new insights into when Data Shapley may or may not succeed.

This paper explores challenges in training Physics-Informed Neural Networks (PINNs), emphasizing the role of the loss landscape in the training process. We examine difficulties in minimizing the PINN loss function, particularly due to ill-conditioning caused by differential operators in the residual term. We compare gradient-based optimizers Adam, L-BFGS, and their combination Adam+L-BFGS, showing the superiority of Adam+L-BFGS, and introduce a novel second-order optimizer, NysNewton-CG (NNCG), which significantly improves PINN performance. Theoretically, our work elucidates the connection between ill-conditioned differential operators and ill-conditioning in the PINN loss and shows the benefits of combining first- and second-order optimization methods. Our work presents valuable insights and more powerful optimization strategies for training PINNs, which could improve the utility of PINNs for solving difficult partial differential equations.

In this paper, we introduce a new class of score-based generative models (SGMs) designed to handle high-cardinality data distributions by leveraging concepts from mean-field theory. We present mean-field chaos diffusion models (MF-CDMs), which address the curse of dimensionality inherent in high-cardinality data by utilizing the propagation of chaos property of interacting particles. By treating high-cardinality data as a large stochastic system of interacting particles, we develop a novel score-matching method for infinite-dimensional chaotic particle systems and propose an approximation scheme that employs a subdivision strategy for efficient training. Our theoretical and empirical results demonstrate the scalability and effectiveness of MF-CDMs for managing large high-cardinality data structures, such as 3D point clouds.

We study inference on the long-term causal effect of a continual exposure to a novel intervention, which we term a long-term treatment, based on an experiment involving only short-term observations. Key examples include the long-term health effects of regularly-taken medicine or of environmental hazards and the long-term effects on users of changes to an online platform. This stands in contrast to short-term treatments or "shocks," whose long-term effect can reasonably be mediated by short-term observations, enabling the use of surrogate methods. Long-term treatments by definition have direct effects on long-term outcomes via continual exposure, so surrogacy conditions cannot reasonably hold. We connect the problem with offline reinforcement learning, leveraging doubly-robust estimators to estimate long-term causal effects for long-term treatments and construct confidence intervals.

Despite the impressive performance of deep learning models across diverse tasks, their complexity poses challenges for interpretation. This challenge is particularly evident for audio signals, where conveying interpretations becomes inherently difficult. To address this issue, we introduce Listenable Maps for Audio Classifiers (L-MAC), a posthoc interpretation method that generates faithful and listenable interpretations. L-MAC utilizes a decoder on top of a pretrained classifier to generate binary masks that highlight relevant portions of the input audio. We train the decoder with a loss function that maximizes the confidence of the classifier decision on the masked-in portion of the audio while minimizing the probability of model output for the masked-out portion. Quantitative evaluations on both in-domain and out-of-domain data demonstrate that L-MAC consistently produces more faithful interpretations than several gradient and masking-based methodologies. Furthermore, a user study confirms that, on average, users prefer the interpretations generated by the proposed technique.

Machine learning (ML) datasets, often perceived as neutral, inherently encapsulate abstract and disputed social constructs. Dataset curators frequently employ value-laden terms such as diversity, bias, and quality to characterize datasets. Despite their prevalence, these terms lack clear definitions and validation. Our research explores the implications of this issue by analyzing "diversity" across 135 image and text datasets. Drawing from social sciences, we apply principles from measurement theory to identify considerations and offer recommendations for conceptualizing, operationalizing, and evaluating diversity in datasets. Our findings have broader implications for ML research, advocating for a more nuanced and precise approach to handling value-laden properties in dataset construction.

Multimodal Federated Learning (MFL) addresses the setup of multiple clients with diversified modality types (e.g. image, text, video, and audio) working together to improve their local personal models in a data-privacy manner. Prior MFL works rely on restrictive compositional neural architecture designs to ensure inter-client information sharing via blockwise model aggregation, limiting their applicability in the real-world **Architecture-personalized MFL (AMFL)** scenarios, where clients may have distinguished multimodal interaction strategies and there is no restriction on local architecture design. The key challenge in AMFL is how to automatically and efficiently tackle the two heterogeneity patterns--statistical and architecture heterogeneity--while maximizing the beneficial information sharing among clients. To solve this challenge, we propose **FedMBridge**, which leverages a topology-aware hypernetwork to act as a bridge that can automatically balance and digest the two heterogeneity patterns in a communication-efficient manner. Our experiments on four AMFL simulations demonstrate the efficiency and effectiveness of our proposed approach.

Deep Gaussian processes (DGPs) provide a robust paradigm in Bayesian deep learning. In DGPs, a set of sparse integration locations called inducing points are selected to approximate the posterior distribution of the model. This is done to reduce computational complexity and improve model efficiency. However, inferring the posterior distribution of inducing points is not straightforward. Traditional variational inference techniques methods to approximate the posterior often leads to significant bias. To address this issue, we propose an alternative named Denoising Diffusion Variational Inference (DDVI) that utilizes a denoising diffusion stochastic differential equation (SDE) for generating posterior samples of inducing variables. We refer to the score matching method in the denoising diffusion model to approximate challenging score functions using a neural network. Furthermore, by combining classical mathematical theory of SDE with the minimization of KL divergence between the approximate and true processes, we propose a novel explicit variational lower bound for the marginal likelihood function of DGP. Through extensive experiments on various datasets and comparisons with baseline methods, we empirically demonstrate the effectiveness of the DDVI method in posterior inference of inducing points for DGP models.

Foundation models are powerful technologies: how they are released publicly directly shapes their societal impact. In this position paper, we focus on *open* foundation models, defined here as those with broadly available model weights (e.g., Llama 3, Stable Diffusion XL). We identify five distinctive properties (e.g., greater customizability, poor monitoring) that mediate their benefits and risks. Open foundation models present significant benefits, with some caveats, that span innovation, competition, the distribution of decision-making power, and transparency. To understand their risks of misuse, we design a risk assessment framework for analyzing their *marginal risk*. Across several misuse vectors (e.g., cyberattacks, bioweapons), we find that current research is insufficient to effectively characterize the marginal risk of open foundation models relative to pre-existing technologies. The framework helps explain why the marginal risk is low in some cases, clarifies disagreements about misuse risks by revealing that past work has focused on different subsets of the framework with different assumptions, and articulates a way forward for more constructive debate. Overall, our work helps support a more grounded assessment of the societal impact of open foundation models by outlining what research is needed to empirically validate their theoretical benefits and risks.