NeurIPS 2025 论文列表

We study the Hamiltonian flow for optimization (HF-opt), which simulates the Hamiltonian dynamics for some integration time and resets the velocity to $0$ to decrease the objective function; this is the optimization analogue of the Hamiltonian Monte Carlo algorithm for sampling. For short integration time, HF-opt has the same convergence rates as gradient descent for minimizing strongly and weakly convex functions. We show that by randomizing the integration time in HF-opt, the resulting randomized Hamiltonian flow (RHF) achieves accelerated convergence rates in continuous time, similar to the rates for accelerated gradient flow. We study a discrete-time implementation of RHF as the randomized Hamiltonian gradient descent (RHGD) algorithm. We prove that RHGD achieves the same accelerated convergence rates as Nesterov's accelerated gradient descent (AGD) for minimizing smooth strongly and weakly convex functions. We provide numerical experiments to demonstrate that RHGD is competitive with classical accelerated methods such as AGD across all settings and outperforms them in certain regimes.

We study online adversarial regression with convex losses against a rich class of continuous yet highly irregular competitor functions,% prediction rules, modeled by Besov spaces $B_{pq}^s$ with general parameters $1 \leq p,q \leq \infty$ and smoothness $s > \tfrac{d}{p}$. We introduce an adaptive wavelet-based algorithm that performs sequential prediction without prior knowledge of $(s,p,q)$, and establish minimax-optimal regret bounds against any comparator in $B_{pq}^s$. We further design a locally adaptive extension capable of sequentially adapting to spatially inhomogeneous smoothness. This adaptive mechanism adjusts the resolution of the predictions over both time and space, yielding refined regret bounds in terms of local regularity. Consequently, in heterogeneous environments, our adaptive guarantees can significantly surpass those obtained by standard global methods.

Variational Learning (VL) has recently gained popularity for training deep neural networks. Part of its empirical success can be explained by theories such as PAC-Bayes bounds, minimum description length and marginal likelihood, but little has been done to unravel the implicit regularization in play. Here, we analyze the implicit regularization of VL through the Edge of Stability (EoS) framework. EoS has previously been used to show that gradient descent can find flat solutions and we extend this result to show that VL can find even flatter solutions. This result is obtained by controlling the shape of the variational posterior as well as the number of posterior samples used during training. The derivation follows in a similar fashion as in the standard EoS literature for deep learning, by first deriving a result for a quadratic problem and then extending it to deep neural networks. We empirically validate these findings on a wide variety of large networks, such as ResNet and ViT, to find that the theoretical results closely match the empirical ones. Ours is the first work to analyze the EoS dynamics of~VL.

Harnessing the event-driven characteristic, Spiking Neural Networks (SNNs) present a promising avenue toward energy-efficient Transformer architectures. However, existing Spiking Transformers still suffer significant performance gaps compared to their Artificial Neural Network counterparts. Through comprehensive analysis, we attribute this gap to these two factors. First, the binary nature of spike trains limits Spiking Self-attention (SSA)’s capacity to capture negative–negative and positive–negative membrane potential interactions on Querys and Keys. Second, SSA typically omits Softmax functions to avoid energy-intensive multiply-accumulate operations, thereby failing to maintain row-stochasticity constraints on attention scores. To address these issues, we propose a Bipolar Self-attention (BSA) paradigm, effectively modeling multi-polar membrane potential interactions with a fully spike-driven characteristic. Specifically, we demonstrate that ternary matrix multiplication provides a closer approximation to real-valued computation on both distribution and local correlation, enabling clear differentiation between homopolar and heteropolar interactions. Moreover, we propose a shift-based Softmax approximation named Shiftmax, which efficiently achieves low-entropy activation and partly maintains row-stochasticity without non-linear operation, enabling precise attention allocation. Extensive experiments show that BSA achieves substantial performance improvements across various tasks, including image classification, semantic segmentation, and event-based tracking. These results establish its potential as a fundamental building block for energy-efficient Spiking Transformers.

Color enhancement is a crucial yet challenging task in digital photography. It demands methods that are (i) expressive enough for fine-grained adjustments, (ii) adaptable to diverse inputs, and (iii) able to preserve texture. Existing approaches typically fall short in at least one of these aspects, yielding unsatisfactory results. We propose GenColor, a novel diffusion-based framework for sophisticated, texture-preserving color enhancement. GenColor reframes the task as conditional image generation. Leveraging ControlNet and a tailored training scheme, it learns advanced color transformations that adapt to diverse lighting and content. We train GenColor on ARTISAN, our newly collected large-scale dataset of 1.2M high-quality photographs specifically curated for enhancement tasks. To overcome texture preservation limitations inherent in diffusion models, we introduce a color-transfer network with a novel degradation scheme that simulates texture–color relationships. This network achieves pixel-perfect texture preservation while enabling fine-grained color matching with the diffusion-generated reference images. Extensive experiments show that GenColor produces visually compelling results comparable to those of expert colorists and surpasses state-of-the-art methods in both subjective and objective evaluations. We have released the code and dataset.

Linear and quadratic optimization are crucial in numerous real-world applications, ranging from training machine learning models to solving integer linear programs. Recently, learning-to-optimize methods (L2O) for linear (LPs) or quadratic programs (QPs) using message-passing graph neural networks (MPNNs) have gained traction, promising lightweight, data-driven proxies for solving such optimization problems. For example, they replace the costly computation of strong branching scores in branch-and-bound solvers, thereby reducing the need to solve many such optimization problems. However, robust L2O MPNNs remain challenging in data-scarce settings, especially when addressing complex optimization problems such as QPs. This work introduces a principled approach to data augmentation tailored for QPs via MPNNs. Our method leverages theoretically justified data augmentation techniques to generate diverse yet optimality-preserving instances. Furthermore, we integrate these augmentations into a self-supervised contrastive learning framework, thereby pretraining MPNNs for improved performance on L2O tasks. Extensive experiments demonstrate that our approach improves generalization in supervised scenarios and facilitates effective transfer learning to related optimization problems.

This work presents Orient Anything V2, an enhanced foundation model for unified understanding of object 3D orientation and rotation from single or paired images. Building upon Orient Anything V1, which defines orientation via a single unique front face, V2 extends this capability to handle objects with diverse rotational symmetries and directly estimate relative rotations. These improvements are enabled by four key innovations: 1) Scalable 3D assets synthesized by generative models, ensuring broad category coverage and balanced data distribution; 2) An efficient, model-in-the-loop annotation system that robustly identifies 0 to N valid front faces for each object; 3) A symmetry-aware, periodic distribution fitting objective that captures all plausible front-facing orientations, effectively modeling object rotational symmetry; 4) A multi-frame architecture that directly predicts relative object rotations. Extensive experiments show that Orient Anything V2 achieves state-of-the-art zero-shot performance on orientation estimation, 6DoF pose estimation, and object symmetry recognition across 11 widely used benchmarks. The model demonstrates strong generalization, significantly broadening the applicability of orientation estimation in diverse downstream tasks.

Transformers can implement both generalizable algorithms (e.g., induction heads) and simple positional shortcuts (e.g., memorizing fixed output positions). In this work, we study how the choice of pretraining data distribution steers a shallow transformer toward one behavior or the other. Focusing on a minimal trigger-output prediction task -- copying the token immediately following a special trigger upon its second occurrence -- we present a rigorous analysis of gradient-based training of a single-layer transformer. In both the infinite and finite sample regimes, we prove a transition in the learned mechanism: if input sequences exhibit sufficient diversity, measured by a low “max-sum” ratio of trigger-to-trigger distances, the trained model implements an induction head and generalizes to unseen contexts; by contrast, when this ratio is large, the model resorts to a positional shortcut and fails to generalize out-of-distribution (OOD). We also reveal a trade-off between the pretraining context length and OOD generalization, and derive the optimal pretraining distribution that minimizes computational cost per sample. Finally, we validate our theoretical predictions with controlled synthetic experiments, demonstrating that broadening context distributions robustly induces induction heads and enables OOD generalization. Our results shed light on the algorithmic biases of pretrained transformers and offer conceptual guidelines for data-driven control of their learned behaviors.

Recently, the powerful text-to-image capabilities of GPT-4o have led to growing appreciation for native multimodal large language models. However, its multimodal capabilities remain confined to images and text. Yet beyond images, the ability to understand and generate 3D content is equally crucial. To address this gap, we propose ShapeLLM-Omni—a native 3D large language model capable of understanding and generating 3D assets and text in any sequence. First, we train a 3D vector-quantized variational autoencoder (VQVAE), which maps 3D objects into a discrete latent space to achieve efficient and accurate shape representation and reconstruction. Building upon the 3D-aware discrete tokens, we innovatively construct a large-scale continuous training dataset named 3D-Alpaca, encompassing generation, comprehension, and editing, thus providing rich resources for future research and training. Finally, we perform instruction-based fine-tuning of the Qwen-2.5-vl-7B-Instruct model on the 3D-Alpaca dataset, equipping it with native 3D understanding and generation capabilities. Our work represents an effective step toward extending multimodal large language models with fundamental 3D intelligence, paving the way for future advances in 3D-native AI.

Large language model (LLM)-powered multi-agent systems (MAS) have demonstrated cognitive and execution capabilities that far exceed those of single LLM agents, yet their capacity for self-evolution remains hampered by underdeveloped memory architectures. Upon close inspection, we are alarmed to discover that prevailing MAS memory mechanisms (1) are overly simplistic, completely disregarding the nuanced inter-agent collaboration trajectories, and (2) lack cross-trial and agent-specific customization, in stark contrast to the expressive memory developed for single agents. To bridge this gap, we introduce G-Memory, a hierarchical, agentic memory system for MAS inspired by organizational memory theory, which manages the lengthy MAS interaction via a three-tier graph hierarchy: insight, query, and interaction graphs. Upon receiving a new user query, G-Memory performs bi-directional memory traversal to retrieve both \textit{high-level, generalizable insights} that enable the system to leverage cross-trial knowledge, and \textit{fine-grained, condensed interaction trajectories} that compactly encode prior collaboration experiences. Upon task execution, the entire hierarchy evolves by assimilating new collaborative trajectories, nurturing the progressive evolution of agent teams. Extensive experiments across five benchmarks, three LLM backbones, and three popular MAS frameworks demonstrate that G-Memory improves success rates in embodied action and accuracy in knowledge QA by up to $20.89\\%$ and $10.12\\%$, respectively, without any modifications to the original frameworks.

Scaffolding Large Language Models (LLMs) into multi-agent systems often improves performance on complex tasks, but the safety impact of such scaffolds has not been thoroughly explored. We introduce AgentBreeder, a framework for multi-objective self-improving evolutionary search over scaffolds. We evaluate discovered scaffolds on widely recognized reasoning, mathematics, and safety benchmarks and compare them with popular baselines. In "blue" mode, we see a 79.4% average uplift in safety benchmark performance while maintaining or improving capability scores. In "red" mode, we find adversarially weak scaffolds emerging concurrently with capability optimization. Our work demonstrates the risks of multi-agent scaffolding and provides a framework for mitigating them. Code is available at \url{https://github.com/jrosseruk/AgentBreeder}.

Smoothness is known to be crucial for acceleration in offline optimization, and for gradient-variation regret minimization in online learning. Interestingly, these two problems are actually closely connected --- accelerated optimization can be understood through the lens of gradient-variation online learning. In this paper, we investigate online learning with *Hölder* functions, a general class encompassing both smooth and non-smooth (Lipschitz) functions, and explore its implications for offline optimization. For (strongly) convex online functions, we design the corresponding gradient-variation online learning algorithm whose regret smoothly interpolates between the optimal guarantees in smooth and non-smooth regimes. Notably, our algorithms do not require prior knowledge of the Hölder smoothness parameter, exhibiting strong adaptivity over existing methods. Through online-to-batch conversion, this gradient-variation online adaptivity yields an optimal universal method for stochastic convex optimization under Hölder smoothness. However, achieving universality in offline strongly convex optimization is more challenging. We address this by integrating online adaptivity with a detection-based guess-and-check procedure, which, for the first time, yields a universal offline method that achieves accelerated convergence in the smooth regime while maintaining near-optimal convergence in the non-smooth one.

Estimators in statistics and machine learning must typically trade off between efficiency, having low variance for a fixed target, and distributional robustness, such as \textit{multiaccuracy}, or having low bias over a range of possible targets. In this paper, we consider a simple estimator, \emph{ridge boosting}: starting with any initial predictor, perform a single boosting step with (kernel) ridge regression. Surprisingly, we show that ridge boosting simultaneously achieves both efficiency and distributional robustness: for target distribution shifts that lie within an RKHS unit ball, this estimator maintains low bias across all such shifts and has variance at the semiparametric efficiency bound for each target. In addition to bridging otherwise distinct research areas, this result has immediate practical value. Since ridge boosting uses only data from the source distribution, researchers can train a single model to obtain both robust and efficient estimates for multiple target estimands at the same time, eliminating the need to fit separate semiparametric efficient estimators for each target. We assess this approach through simulations and an application estimating the age profile of retirement income.

We introduce Self Forcing, a novel training paradigm for autoregressive video diffusion models. It addresses the longstanding issue of exposure bias, where models trained on ground-truth context must generate sequences conditioned on their own imperfect outputs during inference. Unlike prior methods that denoise future frames based on ground-truth context frames, Self Forcing conditions each frame's generation on previously self-generated outputs by performing autoregressive rollout with key-value (KV) caching during training. This strategy enables supervision through a holistic loss at the video level that directly evaluates the quality of the entire generated sequence, rather than relying solely on traditional frame-wise objectives. To ensure training efficiency, we employ a few-step diffusion model along with a stochastic gradient truncation strategy, effectively balancing computational cost and performance. We further introduce a rolling KV cache mechanism that enables efficient autoregressive video extrapolation. Extensive experiments demonstrate that our approach achieves real-time streaming video generation with sub-second latency on a single GPU, while matching or even surpassing the generation quality of significantly slower and non-causal diffusion models.

We introduce DeCaFlow, a deconfounding causal generative model. Training once per dataset using just observational data and the underlying causal graph, DeCaFlow enables accurate causal inference on continuous variables under the presence of hidden confounders. Specifically, we extend previous results on causal estimation under hidden confounding to show that a single instance of DeCaFlow provides correct estimates for all causal queries identifiable with do-calculus, leveraging proxy variables to adjust for the causal effects when do-calculus alone is insufficient. Moreover, we show that counterfactual queries are identifiable as long as their interventional counterparts are identifiable, and thus are also correctly estimated by DeCaFlow. Our empirical results on diverse settings—including the Ecoli70 dataset, with 3 independent hidden confounders, tens of observed variables and hundreds of causal queries—show that DeCaFlow outperforms existing approaches, while demonstrating its out-of-the-box applicability to any given causal graph.

Vision-Language Models (VLMs) have shown remarkable progress in visual understanding in recent years. Yet, they still lag behind human capabilities in specific visual tasks such as counting or relational reasoning. To understand the underlying limitations, we adopt methodologies from cognitive science, analyzing VLM performance along core cognitive axes: Perception, Attention, and Memory. Using a suite of tasks targeting these abilities, we evaluate state-of-the-art VLMs, including GPT-4o. Our analysis reveals distinct cognitive profiles: while advanced models approach ceiling performance on some tasks (e.g. category identification), a significant gap persists, particularly in tasks requiring spatial understanding or selective attention. Investigating the source of these failures and potential methods for improvement, we employ a vision-text decoupling analysis, finding that models struggling with direct visual reasoning show marked improvement when reasoning over their own generated text captions. These experiments reveal a strong need for improved VLM Chain-of-Thought (CoT) abilities, even in models that consistently exceed human performance. Furthermore, we demonstrate the potential of targeted fine-tuning on composite visual reasoning tasks and show that fine-tuning smaller VLMs moderately improves core cognitive abilities. While this improvement does not translate to large enhancements on challenging, out-of-distribution benchmarks, we show broadly that VLM performance on our datasets strongly correlates with performance on established benchmarks like MMMU-Pro and VQAv2. Our work provides a detailed analysis of VLM cognitive strengths and weaknesses and identifies key bottlenecks in simultaneous perception and reasoning while also providing an effective and simple solution.

Large vision-language models (LVLMs) are increasingly deployed in interactive applications such as virtual and augmented reality, where a first-person (egocentric) view captured by head-mounted cameras serves as key input. While this view offers fine-grained cues about user attention and hand-object interactions, its narrow field of view and lack of global context often lead to failures on spatially or contextually demanding queries. To address this, we introduce a framework that augments egocentric inputs with third-person (exocentric) views, providing complementary information such as global scene layout and object visibility to LVLMs. We present E3VQA, the first benchmark for multi-view question answering with 4K high-quality question-answer pairs grounded in synchronized ego-exo image pairs. Additionally, we propose M3CoT, a training-free prompting technique that constructs a unified scene representation by integrating scene graphs from three complementary perspectives. M3CoT enables LVLMs to reason more effectively across views, yielding consistent performance gains (4.84\% for GPT-4o and 5.94\% for Gemini 2.0 Flash) over a recent CoT baseline. Our extensive evaluation reveals key strengths and limitations of LVLMs in multi-view reasoning and highlights the value of leveraging both egocentric and exocentric inputs. The dataset and source code are available at [https://github.com/Leeinsu1/Towards-Comprehensive-Scene-Understanding](https://github.com/Leeinsu1/Towards-Comprehensive-Scene-Understanding).

In this work, we aim to develop an MLLM that understands and solves questions by learning to create each intermediate step of the reasoning involved till the final answer. To this end, we propose Collective Monte Carlo Tree Search (CoMCTS), a new learning-to-reason method for MLLMs, which introduces the concept of collective learning into ``tree search'' for effective and efficient reasoning-path searching and learning. The core idea of CoMCTS is to leverage collective knowledge from multiple models to collaboratively conjecture, search and identify effective reasoning paths toward correct answers via four iterative operations including Expansion, Simulation and Error Positioning, Backpropagation, and Selection. Using CoMCTS, we construct Mulberry-260k, a multimodal dataset with a tree of rich, explicit and well-defined reasoning nodes for each question. With Mulberry-260k, we perform collective SFT to train our model, Mulberry, a series of MLLMs with o1-like step-by-step Reasoning and Reflection capabilities. Extensive experiments demonstrate the superiority of our proposed methods on various benchmarks. Code is available at https://github.com/HJYao00/Mulberry.

Pre-trained Vision-Language Models (VLMs) exhibit strong generalization capabilities, enabling them to recognize a wide range of objects across diverse domains without additional training. However, they often retain irrelevant information beyond the requirements of specific target downstream tasks, raising concerns about computational efficiency and potential information leakage. This has motivated growing interest in approximate unlearning, which aims to selectively remove unnecessary knowledge while preserving overall model performance. Existing approaches to approximate unlearning have primarily focused on {\em class unlearning}, where a VLM is retrained to fail to recognize specified object classes while maintaining accuracy for others. However, merely forgetting object classes is often insufficient in practical applications. For instance, an autonomous driving system should accurately recognize {\em real} cars, while avoiding misrecognition of {\em illustrated} cars depicted in roadside advertisements as {\em real} cars, which could be hazardous. In this paper, we introduce {\em Approximate Domain Unlearning (ADU)}, a novel problem setting that requires reducing recognition accuracy for images from specified domains (e.g., {\em illustration}) while preserving accuracy for other domains (e.g., {\em real}). ADU presents new technical challenges: due to the strong domain generalization capability of pre-trained VLMs, domain distributions are highly entangled in the feature space, making naive approaches based on penalizing target domains ineffective. To tackle this limitation, we propose a novel approach that explicitly disentangles domain distributions and adaptively captures instance-specific domain information. Extensive experiments on four multi-domain benchmark datasets demonstrate that our approach significantly outperforms strong baselines built upon state-of-the-art VLM tuning techniques, paving the way for practical and fine-grained unlearning in VLMs. Code : https://kodaikawamura.github.io/Domain_Unlearning/.