ICML 2025 论文列表

This paper studies zeroth-order optimization for stochastic convex minimization problems. We propose a parameter-free stochastic zeroth-order method (POEM), which introduces a step-size scheme based on the distance over finite difference and an adaptive smoothing parameter. Our theoretical analysis shows that POEM achieves near-optimal stochastic zeroth-order oracle complexity. Furthermore, numerical experiments demonstrate that POEM outperforms existing zeroth-order methods in practice.

Panoramic image outpainting acts as a pivotal role in immersive content generation, allowing for seamless restoration and completion of panoramic content. Given the fact that the majority of generative outpainting solutions operates on planar images, existing methods for panoramic images address the sphere nature by soft regularisation during the end-to-end learning, which still fails to fully exploit the spherical content. In this paper, we set out the first attempt to impose the sphere nature in the design of diffusion model, such that the panoramic format is intrinsically ensured during the learning procedure, named as spherical-nested diffusion (SpND) model. This is achieved by employing spherical noise in the diffusion process to address the structural prior, together with a newly proposed spherical deformable convolution (SDC) module to intrinsically learn the panoramic knowledge. Upon this, the proposed method is effectively integrated into a pre-trained diffusion model, outperforming existing state-of-the-art methods for panoramic image outpainting. In particular, our SpND method reduces the FID values by more than 50\% against the state-of-the-art PanoDiffusion method. Codes are publicly available at \url{https://github.com/chronos123/SpND}.

Many existing interpretation methods are based on Partial Dependence (PD) functions that, for a pre-trained machine learning model, capture how a subset of the features affects the predictions by averaging over the remaining features. Notable methods include Shapley additive explanations (SHAP) which computes feature contributions based on a game theoretical interpretation and PD plots (i.e., 1-dim PD functions) that capture average marginal main effects. Recent work has connected these approaches using a functional decomposition and argues that SHAP values can be misleading since they merge main and interaction effects into a single local effect. However, a major advantage of SHAP compared to other PD-based interpretations has been the availability of fast estimation techniques, such as `TreeSHAP`. In this paper, we propose a new tree-based estimator, `FastPD`, which efficiently estimates arbitrary PD functions. We show that `FastPD` consistently estimates the desired population quantity -- in contrast to path-dependent `TreeSHAP` which is inconsistent when features are correlated. For moderately deep trees, `FastPD` improves the complexity of existing methods from quadratic to linear in the number of observations. By estimating PD functions for arbitrary feature subsets, `FastPD` can be used to extract PD-based interpretations such as SHAP, PD plots and higher-order interaction effects.

We develop a semi-amortized, policy-based, approach to Bayesian experimental design (BED) called Stepwise Deep Adaptive Design (Step-DAD). Like existing, fully amortized, policy-based BED approaches, Step-DAD trains a design policy upfront before the experiment. However, rather than keeping this policy fixed, Step-DAD periodically updates it as data is gathered, refining it to the particular experimental instance. This test-time adaptation improves both the flexibility and the robustness of the design strategy compared with existing approaches. Empirically, Step-DAD consistently demonstrates superior decision-making and robustness compared with current state-of-the-art BED methods.

This paper studies a range of AI/ML trust concepts, including memorization, data poisoning, and copyright, which can be modeled as constraints on the influence of data on a (trained) model, characterized by the outcome difference from a processing function (training algorithm). In this realm, we show that provable trust guarantees can be efficiently provided through a new framework termed Data-Specific Indistinguishability (DSI) to select trust-preserving randomization tightly aligning with targeted outcome differences, as a relaxation of the classic Input-Independent Indistinguishability (III). We establish both the theoretical and algorithmic foundations of DSI with the optimal multivariate Gaussian mechanism. We further show its applications to develop trustworthy deep learning with black-box optimizers. The experimental results on memorization mitigation, backdoor defense, and copyright protection show both the efficiency and effectiveness of the DSI noise mechanism.

We introduce a novel one-parameter variational objective that lower bounds the data evidence and enables the estimation of approximate fractional posteriors. We extend this framework to hierarchical construction and Bayes posteriors, offering a versatile tool for probabilistic modelling. We demonstrate two cases where gradients can be obtained analytically and a simulation study on mixture models showing that our fractional posteriors can be used to achieve better calibration compared to posteriors from the conventional variational bound. When applied to variational autoencoders (VAEs), our approach attains higher evidence bounds and enables learning of high-performing approximate Bayes posteriors jointly with fractional posteriors. We show that VAEs trained with fractional posteriors produce decoders that are better aligned for generation from the prior.

Cooperative Multi-Agent Reinforcement Learning (MARL) has become a critical tool for addressing complex real-world problems. However, off-policy MARL methods, which rely on joint Q-functions, face significant scalability challenges due to the exponentially growing joint action space. In this work, we highlight a critical yet often overlooked issue: erroneous Q-target estimation, primarily caused by extrapolation error. Our analysis reveals that this error becomes increasingly severe as the number of agents grows, leading to unique challenges in MARL due to its expansive joint action space and the decentralized execution paradigm. To address these challenges, we propose a suite of techniques tailored for off-policy MARL, including annealed multi-step bootstrapping, averaged Q-targets, and restricted action representation. Experimental results demonstrate that these methods effectively mitigate erroneous estimations, yielding substantial performance improvements in challenging benchmarks such as SMAC, SMACv2, and Google Research Football.

Image Super-Resolution (ISR) has seen significant progress with the introduction of remarkable generative models. However, challenges such as the trade-off issues between fidelity and realism, as well as computational complexity, have also posed limitations on their application. Building upon the tremendous success of autoregressive models in the language domain, we propose \textbf{VARSR}, a novel visual autoregressive modeling for ISR framework with the form of next-scale prediction. To effectively integrate and preserve semantic information in low-resolution images, we propose using prefix tokens to incorporate the condition. Scale-aligned Rotary Positional Encodings are introduced to capture spatial structures and the diffusion refiner is utilized for modeling quantization residual loss to achieve pixel-level fidelity. Image-based Classifier-free Guidance is proposed to guide the generation of more realistic images. Furthermore, we collect large-scale data and design a training process to obtain robust generative priors. Quantitative and qualitative results show that VARSR is capable of generating high-fidelity and high-realism images with more efficiency than diffusion-based methods. Our codes are released at \url{https://github.com/quyp2000/VARSR}.

Averaging checkpoints along the training trajectory is a simple yet powerful approach to improve the generalization performance of Machine Learning models and reduce training time. Motivated by these potential gains, and in an effort to fairly and thoroughly benchmark this technique, we present an extensive evaluation of averaging techniques in modern Deep Learning, which we perform using AlgoPerf, a large-scale benchmark for optimization algorithms. We investigate whether weight averaging can reduce training time, improve generalization, and replace learning rate decay, as suggested by recent literature. Our evaluation across seven architectures and datasets reveals that averaging significantly accelerates training and yields considerable efficiency gains across all considered workloads, at the price of a minimal implementation and memory cost, while mildly improving generalization. Finally, we explore the relationship between averaging and learning rate annealing and show that combining the two achieves optimal performance.

In continual RL we want agents capable of never-ending learning, and yet our evaluation methodologies do not reflect this. The standard practice in RL is to assume unfettered access to the deployment environment for the full lifetime of the agent. For example, agent designers select the best performing hyperparameters in Atari by testing each for 200 million frames and then reporting results on 200 million frames. In this position paper, we argue and demonstrate the pitfalls of this inappropriate empirical methodology: lifetime tuning. We provide empirical evidence to support our position by testing DQN and SAC across several of continuing and non-stationary environments with two main findings: (1) lifetime tuning does not allow us to identify algorithms that work well for continual learning---all algorithms equally succeed; (2) recently developed continual RL algorithms outperform standard non-continual algorithms when tuning is limited to a fraction of the agent's lifetime. The goal of this paper is to provide an explanation for why recent progress in continual RL has been mixed and motivate the development of empirical practices that better match the goals of continual RL.

Real-world visual perception requires invariance to diverse transformations, yet current methods rely heavily on specialized architectures or training on predefined augmentations, limiting generalization. We propose FoCal, a test-time, data-driven framework that achieves robust perception by leveraging internet-scale visual priors from foundation models. By generating and optimizing candidate transformations toward visually typical, "canonical" views, FoCal enhances robustness without retraining or architectural changes. Experiments demonstrate improved robustness of CLIP and SAM across challenging transformations, including 2D/3D rotations, illumination shifts (contrast and color), and day-night variations. We also highlight potential applications in active vision. Our approach challenges the assumption that transform-specific training is necessary, instead offering a scalable path to invariance. Our code is available at: https://github.com/sutkarsh/focal.

Conformal prediction (CP) is a promising uncertainty quantification framework which works as a wrapper around a black-box classifier to construct prediction sets (i.e., subset of candidate classes) with provable guarantees. However, standard calibration methods for CP tend to produce large prediction sets which makes them less useful in practice. This paper considers the problem of integrating conformal principles into the training process of deep classifiers to directly minimize the size of prediction sets. We formulate conformal training as a bilevel optimization problem and propose the {\em Direct Prediction Set Minimization (DPSM)} algorithm to solve it. The key insight behind DPSM is to minimize a measure of the prediction set size (upper level) that is conditioned on the learned quantile of conformity scores (lower level). We analyze that DPSM has a learning bound of $O(1/\sqrt{n})$ (with $n$ training samples), while prior conformal training methods based on stochastic approximation for the quantile has a bound of $\Omega(1/s)$ (with batch size $s$ and typically $s \ll \sqrt{n}$). Experiments on various benchmark datasets and deep models show that DPSM significantly outperforms the best prior conformal training baseline with $20.46\\%\downarrow$ in the prediction set size and validates our theory.

Backdoor attacks have seriously threatened deep neural networks (DNNs) by embedding concealed vulnerabilities through data poisoning. To counteract these attacks, training benign models from poisoned data garnered considerable interest from researchers. High-performing defenses often rely on additional clean subsets/seeds, which is untenable due to increasing privacy concerns and data scarcity. In the absence of additional clean subsets/seeds, defenders resort to complex feature extraction and analysis, resulting in excessive overhead and compromised performance. To address these challenges, we identify the key lies in sufficient utilization of both the easier-to-obtain target labels and clean hard samples. In this work, we propose a Bi-perspective Splitting Defense (BSD). BSD distinguishes clean samples using both semantic and loss statistics characteristics through open set recognition-based splitting (OSS) and altruistic model-based data splitting (ALS) respectively. Through extensive experiments on benchmark datasets and against representative attacks, we empirically demonstrate that BSD surpasses existing defenses by over 20\% in average Defense Effectiveness Rating (DER), achieving clean data-free backdoor security.

We present a constructive universal approximation theorem for learning machines equipped with joint-group-equivariant feature maps, called the joint-equivariant machines, based on the group representation theory. ``Constructive'' here indicates that the distribution of parameters is given in a closed-form expression known as the ridgelet transform. Joint-group-equivariance encompasses a broad class of feature maps that generalize classical group-equivariance. Particularly, fully-connected networks are *not* group-equivariant *but* are joint-group-equivariant. Our main theorem also unifies the universal approximation theorems for both shallow and deep networks. Until this study, the universality of deep networks has been shown in a different manner from the universality of shallow networks, but our results discuss them on common ground. Now we can understand the approximation schemes of various learning machines in a unified manner. As applications, we show the constructive universal approximation properties of four examples: depth-$n$ joint-equivariant machine, depth-$n$ fully-connected network, depth-$n$ group-convolutional network, and a new depth-$2$ network with quadratic forms whose universality has not been known.

Though Rectified Flows (ReFlows) with distillation offer a promising way for fast sampling, its fast inversion transforms images back to structured noise for recovery and following editing remains unsolved. This paper introduces FireFlow, an embarrassingly simple yet effective zero-shot approach that inherits the startling capacity of ReFlow-based models (such as FLUX) in generation while extending its capabilities to accurate inversion and editing in **8** steps. We first demonstrate that a carefully designed numerical solver is pivotal for ReFlow inversion, enabling accurate inversion and reconstruction with the precision of a second-order solver while maintaining the practical efficiency of a first-order Euler method. This solver achieves a $3\times$ runtime speedup compared to state-of-the-art ReFlow inversion and editing techniques while delivering smaller reconstruction errors and superior editing results in a training-free mode. The code is available at [this-URL](https://github.com/HolmesShuan/FireFlow-Fast-Inversion-of-Rectified-Flow-for-Image-Semantic-Editing).

Generative Flow Networks (GFlowNets) offer a powerful framework for sampling graphs in proportion to their rewards. However, existing approaches suffer from systematic biases due to inaccuracies in state transition probability computations. These biases, rooted in the inherent symmetries of graphs, impact both atom-based and fragment-based generation schemes. To address this challenge, we introduce Symmetry-Aware GFlowNets (SA-GFN), a method that incorporates symmetry corrections into the learning process through reward scaling. By integrating bias correction directly into the reward structure, SA-GFN eliminates the need for explicit state transition computations. Empirical results show that SA-GFN enables unbiased sampling while enhancing diversity and consistently generating high-reward graphs that closely match the target distribution.

Recent developments in prompt learning of large Vision-Language Models (VLMs) have significantly improved performance in target-specific tasks. However, these prompting methods often struggle to tackle the target-unspecific or generalizable tasks effectively. It may be attributed to the fact that overfitting training causes the model to forget its general knowledge. The general knowledge has a strong promotion on target-unspecific tasks. To alleviate this issue, we propose a novel Features Matrix (FM) approach designed to enhance these models on target-unspecific tasks. Our method extracts and leverages general knowledge, shaping a Features Matrix (FM). Specifically, the FM captures the semantics of diverse inputs from a deep and fine perspective, preserving essential general knowledge, which mitigates the risk of overfitting. Representative evaluations demonstrate that: 1) the FM is compatible with existing frameworks as a generic and flexible module, and 2) the FM significantly showcases its effectiveness in enhancing target-unspecific tasks (base-to-novel generalization, domain generalization, and cross-dataset generalization), achieving state-of-the-art performance.

Diffusion models have transformed generative modeling but suffer from scalability limitations due to computational overhead and inflexible architectures that process all generative stages and tokens uniformly. In this work, we introduce Diff-MoE, a novel framework that combines Diffusion Transformers with Mixture-of-Experts to exploit both temporarily adaptability and spatial flexibility. Our design incorporates expert-specific timestep conditioning, allowing each expert to process different spatial tokens while adapting to the generative stage, to dynamically allocate resources based on both the temporal and spatial characteristics of the generative task. Additionally, we propose a globally-aware feature recalibration mechanism that amplifies the representational capacity of expert modules by dynamically adjusting feature contributions based on input relevance. Extensive experiments on image generation benchmarks demonstrate that Diff-MoE significantly outperforms state-of-the-art methods. Our work demonstrates the potential of integrating diffusion models with expert-based designs, offering a scalable and effective framework for advanced generative modeling.

Graph Neural Networks (GNNs) have shown great promise in tasks like node and graph classification, but they often struggle to generalize, particularly to unseen or out-of-distribution (OOD) data. These challenges are exacerbated when training data is limited in size or diversity. To address these issues, we introduce a theoretical framework using Rademacher complexity to compute a regret bound on the generalization error and then characterize the effect of data augmentation. This framework informs the design of GRATIN, an efficient graph data augmentation algorithm leveraging the capability of Gaussian Mixture Models (GMMs) to approximate any distribution. Our approach not only outperforms existing augmentation techniques in terms of generalization but also offers improved time complexity, making it highly suitable for real-world applications.