NeurIPS 2025 论文列表

Despite recent advances on multi-modal models, 3D spatial reasoning remains a challenging task for state-of-the-art open-source and proprietary models. Recent studies explore data-driven approaches and achieve enhanced spatial reasoning performance by fine-tuning models on 3D-related visual question-answering data. However, these methods typically perform spatial reasoning in an implicit manner and often fail on questions that are trivial to humans, even with long chain-of-thought reasoning. In this work, we introduce SpatialReasoner, a novel large vision-language model (LVLM) that addresses 3D spatial reasoning with explicit 3D representations shared between multiple stages--3D perception, computation, and reasoning. Explicit 3D representations provide a coherent interface that supports advanced 3D spatial reasoning and improves the generalization ability to novel question types. Furthermore, by analyzing the explicit 3D representations in multi-step reasoning traces of SpatialReasoner, we study the factual errors and identify key shortcomings of current LVLMs. Results show that our SpatialReasoner achieves improved performance on a variety of spatial reasoning benchmarks, outperforming Gemini 2.0 by 9.2% on 3DSRBench, and generalizes better when evaluating on novel 3D spatial reasoning questions. Our study bridges the 3D parsing capabilities of prior visual foundation models with the powerful reasoning abilities of large language models, opening new directions for 3D spatial reasoning.

Diffusion models show promise for image restoration, but existing methods often struggle with inconsistent fidelity and undesirable artifacts. To address this, we introduce Kernel Density Steering (KDS), a novel inference-time framework promoting robust, high-fidelity outputs through explicit local mode-seeking. KDS employs an $N$-particle ensemble of diffusion samples, computing patch-wise kernel density estimation gradients from their collective outputs. These gradients steer patches in each particle towards shared, higher-density regions identified within the ensemble. This collective local mode-seeking mechanism, acting as "collective wisdom", steers samples away from spurious modes prone to artifacts, arising from independent sampling or model imperfections, and towards more robust, high-fidelity structures. This allows us to obtain better quality samples at the expense of higher compute by simultaneously sampling multiple particles. As a plug-and-play framework, KDS requires no retraining or external verifiers, seamlessly integrating with various diffusion samplers. Extensive numerical validations demonstrate KDS substantially improves both quantitative and qualitative performance on challenging real-world super-resolution and image inpainting tasks.

In the adaptive sampling model of online learning, future prediction tasks can be arbitrarily dependent on the past. Every round, an adversary selects an instance to test the learner. After the learner makes a prediction, a noisy label is drawn from an underlying conditional label distribution and is revealed to both learner and adversary. A learner is consistent if it eventually performs no worse than the Bayes predictor. We study the $k_n$-nearest neighbor learner within this setting. In the worst-case, the learner will fail because an adaptive process can generate spurious patterns out of noise. However, under the mild smoothing assumption that the process generating the instances is uniformly absolutely continuous and that choice of $(k_n)_n$ is reasonable, the $k_n$-nearest neighbor rule is online consistent.

Recent research shows that large language models (LLMs) are vulnerable to hijacking attacks under the scenario of in-context learning (ICL) where LLMs demonstrate impressive capabilities in performing tasks by conditioning on a sequence of in-context examples (ICEs) (i.e., prompts with task-specific input-output pairs). Adversaries can manipulate the provided ICEs to steer the model toward attacker-specified outputs, effectively ''hijacking'' the model's decision-making process. Unlike traditional adversarial attacks targeting single inputs, hijacking attacks in LLMs aim to subtly manipulate the initial few examples to influence the model's behavior across a range of subsequent inputs, which requires distributed and stealthy perturbations. However, existing approaches overlook how to effectively allocate the perturbation budget across ICEs. We argue that fixed budgets miss the potential of dynamic reallocation to improve attack success while maintaining high stealthiness and text quality. In this paper, we propose BAM-ICL, a novel **b**udgeted **a**dversarial **m**anipulation hijacking attack framework for in-context learning. We also consider a more practical yet stringent scenario where ICEs arrive sequentially and only the current ICE can be perturbed. BAM-ICL mainly consists of two stages: In the offline stage, where we assume the adversary has access to data drawn from the same distribution as the target task, we develop a global gradient-based attack to learn optimal budget allocations across ICEs. In the online stage, where ICEs arrive sequentially, perturbations are generated progressively according to the learned budget profile. We evaluate BAM-ICL on diverse LLMs and datasets. The experimental results demonstrate that it achieves superior attack success rates and stealthiness, and the adversarial ICEs are highly transferable to other models.

High dynamic range (HDR) images, with their rich tone and detail reproduction, hold significant potential to enhance computer vision systems, particularly in autonomous driving. However, most neural networks for embedded vision are trained on low dynamic range (LDR) inputs and suffer substantial performance degradation when handling high-bit-depth HDR images due to the challenges posed by extreme dynamic ranges. In this paper, we propose a novel tone mapping method that not only bridges the gap between HDR RAW inputs and the LDR sRGB requirements of detection networks but also achieves end-to-end optimization with the downstream tasks. Instead of relying on traditional image signal processing (ISP) pipeline, we introduce neural photometric calibration to regularize dynamic ranges and a scaling-invariant local tone mapping module to preserve image details. In addition, our architecture also supports performance transfer finetuning, enabling efficient adaptation from the LDR model to the HDR RAW model with minimal cost. The proposed method outperforms traditional tone mapping algorithms and advanced AI-ISP methods in challenging automotive HDR scenes. Moreover, our pipeline achieves real-time processing of 4K high-bit-depth HDR inputs on the Nvidia Jetson platform.

The generalization capabilities of vision-language-action (VLA) models to unseen tasks are crucial to achieving general-purpose robotic manipulation in open-world settings. However, the cross-task generalization capabilities of existing VLA models remain significantly underexplored. To address this gap, we introduce **AGNOSTOS**, a novel simulation benchmark designed to rigorously evaluate cross-task zero-shot generalization in manipulation. AGNOSTOS comprises 23 unseen manipulation tasks for test—distinct from common training task distributions—and incorporates two levels of generalization difficulty to assess robustness. Our systematic evaluation reveals that current VLA models, despite being trained on diverse datasets, struggle to generalize effectively to these unseen tasks. To overcome this limitation, we propose **Cross-Task In-Context Manipulation (X-ICM)**, a method that conditions large language models (LLMs) on in-context demonstrations from seen tasks to predict action sequences for unseen tasks. Additionally, we introduce a **dynamics-guided sample selection** strategy that identifies relevant demonstrations by capturing cross-task dynamics. On AGNOSTOS, X-ICM significantly improves cross-task zero-shot generalization performance over leading VLAs, achieving improvements of 6.0\% over $\pi_0$ and 7.9\% over VoxPoser. We believe AGNOSTOS and X-ICM will serve as valuable tools for advancing general-purpose robotic manipulation.

Virtual Try-ON (VTON) is a practical and widely-applied task, for which most of existing works focus on clothes. This paper presents OmniTry, a unified framework that extends VTON beyond garment to encompass any wearable objects, e.g., jewelries and accessories, with mask-free setting for more practical application. When extending to various types of objects, data curation is challenging for obtaining paired images, i.e., the object image and the corresponding try-on result. To tackle this problem, we propose a two-staged pipeline: For the first stage, we leverage large-scale unpaired images, i.e., portraits with any wearable items, to train the model for mask-free localization. Specifically, we repurpose the inpainting model to automatically draw objects in suitable positions given an empty mask. For the second stage, the model is further fine-tuned with paired images to transfer the consistency of object appearance. We observed that the model after the first stage shows quick convergence even with few paired samples. OmniTry is evaluated on a comprehensive benchmark consisting of 12 common classes of wearable objects, with both in-shop and in-the-wild images. Experimental results suggest that OmniTry shows better performance on both object localization and ID-preservation compared with existing methods. The code, model weights, and evaluation benchmark of OmniTry will be made publicly available. The code, model weights, and evaluation benchmark of OmniTry are available at https://omnitry.github.io/.

The study of social emergence has long been a central focus in social science. Traditional modeling approaches, such as rule-based Agent-Based Models (ABMs), struggle to capture the diversity and complexity of human behavior, particularly the irrational factors emphasized in behavioral economics. Recently, large language model (LLM) agents have gained traction as simulation tools for modeling human behavior in social science and role-playing applications. Studies suggest that LLMs can account for cognitive biases, emotional fluctuations, and other non-rational influences, enabling more realistic simulations of socio-economic dynamics. In this work, we introduce TwinMarket, a novel multi-agent framework that leverages LLMs to simulate socio-economic systems. Specifically, we examine how individual behaviors, through interactions and feedback mechanisms, give rise to collective dynamics and emergent phenomena. Through experiments in a simulated stock market environment, we demonstrate how individual actions can trigger group behaviors, leading to emergent outcomes such as financial bubbles and recessions. Our approach provides valuable insights into the complex interplay between individual decision-making and collective socio-economic patterns.

Large reasoning models (LRMs) excel at complex reasoning tasks but typically generate lengthy sequential chains-of-thought, resulting in long inference times before arriving at the final answer. To address this challenge, we introduce SPRINT, a novel post-training and inference-time framework designed to enable LRMs to dynamically identify and exploit opportunities for parallelization during their reasoning process. SPRINT incorporates an innovative data curation pipeline that reorganizes natural language reasoning trajectories into structured rounds of long-horizon planning and parallel execution. By fine-tuning LRMs on a small amount of such curated data, the models learn to dynamically identify independent subtasks within extended reasoning processes and effectively execute them in parallel. Through extensive evaluations, we demonstrate that models fine-tuned with the SPRINT framework match the performance of reasoning models on complex domains such as mathematics while generating up to 39% fewer sequential tokens on problems requiring more than 8,000 output tokens. Finally, we observe consistent results transferred to two out-of-distribution tasks, namely GPQA and Countdown, with up to 45% and 65% reduction in average sequential tokens respectively for longer reasoning trajectories, while matching the performance of the fine-tuned reasoning model.

For any black-box model, conformal prediction (CP) returns prediction *sets* guaranteed to include the true label with high adjustable probability. Robust CP (RCP) extends the guarantee to the worst case noise up to a pre-defined magnitude. For RCP, a well-established approach is to use randomized smoothing since it is applicable to any black-box model and provides smaller sets compared to deterministic methods. However, smoothing-based robustness requires many model forward passes per each input which is computationally expensive. We show that conformal prediction attains some robustness even with *a single forward pass on a randomly perturbed input*. Using any binary certificate we propose a single sample robust CP (RCP1). Our approach returns robust sets with smaller average set size compared to SOTA methods which use many (e.g. $\sim 100$) passes per input. Our key insight is to certify the conformal procedure itself rather than individual conformity scores. Our approach is agnostic to the task (classification and regression). We further extend our approach to smoothing-based robust conformal risk control.

Multimodal large language models (MLLMs) have shown promising capabilities in reasoning tasks, yet still struggle significantly with complex problems requiring explicit self-reflection and self-correction, especially compared to their unimodal text-based counterparts. Existing reflection methods are simplistic and struggle to generate meaningful, instructive feedback, as the reasoning ability and knowledge limits of pre-trained models are largely fixed during initial training. To overcome these challenges, we propose \textit{multimodal \textbf{S}elf-\textbf{R}eflection enhanced reasoning with Group Relative \textbf{P}olicy \textbf{O}ptimization} \textbf{SRPO}, a two-stage reflection-aware reinforcement learning (RL) framework explicitly designed to enhance multimodal LLM reasoning. In the first stage, we construct a high-quality, reflection-focused dataset under the guidance of an advanced MLLM, which generates reflections based on initial responses to help the policy model to learn both reasoning and self-reflection. In the second stage, we introduce a novel reward mechanism within the GRPO framework that encourages concise and cognitively meaningful reflection while avoiding redundancy. Extensive experiments across multiple multimodal reasoning benchmarks—including MathVista, MathVision, Mathverse, and MMMU-Pro—using Qwen-2.5-VL-7B and Qwen-2.5-VL-32B demonstrate that SRPO significantly outperforms state-of-the-art models, achieving notable improvements in both reasoning accuracy and reflection quality.

We present Neural Attention Search (NAtS), an end-to-end learnable sparse transformer that automatically evaluates the importance of each token within a sequence and determines if the corresponding token can be dropped after several steps. To this end, we design a search space that contains three token types: (i) Global Tokens will be preserved and queried by all the following tokens. (ii) Local Tokens survive until the next global token appears. (iii) Sliding Window Tokens have an impact on the inference of a fixed size of the next following tokens. Similar to the One-Shot Neural Architecture Search approach, this token-type information can be learned jointly with the architecture weights via a learnable attention mask. Experiments on both training a new transformer from scratch and fine-tuning existing large language models show that NAtS can efficiently reduce the KV cache and the inference costs for the transformer-based models while maintaining the models' performance.

Retrieval-augmented generation (RAG) enhances large language models (LLMs) by integrating external knowledge, yet traditional RAG systems struggle with static workflows and limited adaptability for complex, multistep reasoning tasks. Agentic RAG systems, such as DeepResearch, address these issues through dynamic retrieval, iterative context refinement, and adaptive workflows. However, recent methods like Search-R1, which rely on outcome-based reinforcement learning, face challenges such as low exploration efficiency, gradient conflict, and sparse reward signals. To tackle these limitations, we introduce ReasonRAG, a novel method that leverages RAG-ProGUIDE—a high-quality dataset providing fine-grained, process-level rewards for query generation, evidence extraction, and answer generation. By employing process-supervised reinforcement learning, ReasonRAG enhances LLMs’ autonomous capabilities in search, query generation, evidence extraction, and answer synthesis. Experimental results show that ReasonRAG, utilizing RAG-ProGUIDE, outperforms existing approaches like Search-R1 and traditional RAG systems, achieving superior performance on five benchmark datasets with only 5k training instances—significantly fewer than the 90k required by Search-R1. Our code is available at https://github.com/Applied-Machine-Learning-Lab/ReasonRAG.

We address the open question of counterfactual identification for high-dimensional multivariate outcomes from observational data. Pearl (2000) argues that counterfactuals must be identifiable (i.e., recoverable from the observed data distribution) to justify causal claims. A recent line of work on counterfactual inference shows promising results but lacks identification, undermining the causal validity of its estimates. To address this, we establish a foundation for multivariate counterfactual identification using continuous-time flows, including non-Markovian settings under standard criteria. We characterise the conditions under which flow matching yields a unique, monotone and rank-preserving counterfactual transport map with tools from dynamic optimal transport, ensuring consistent inference. Building on this, we validate the theory in controlled scenarios with counterfactual ground-truth and demonstrate improvements in axiomatic counterfactual soundness on real images.

Open-vocabulary scene graph generation (OVSGG) extends traditional SGG by recognizing novel objects and relationships beyond predefined categories, leveraging the knowledge from pre-trained large-scale models. Existing OVSGG methods always adopt a two-stage pipeline: 1) Infusing knowledge into large-scale models via pre-training on large datasets; 2) Transferring knowledge from pre-trained models with fully annotated scene graphs during supervised fine-tuning. However, due to a lack of explicit interaction modeling, these methods struggle to distinguish between interacting and non-interacting instances of the same object category. This limitation induces critical issues in both stages of OVSGG: it generates noisy pseudo-supervision from mismatched objects during knowledge infusion, and causes ambiguous query matching during knowledge transfer. To this end, in this paper, we propose an interACtion-Centric end-to-end OVSGG framework (ACC) in an interaction-driven paradigm to minimize these mismatches. For interaction-centric knowledge infusion, ACC employs a bidirectional interaction prompt for robust pseudo-supervision generation to enhance the model's interaction knowledge. For interaction-centric knowledge transfer, ACC first adopts interaction-guided query selection that prioritizes pairing interacting objects to reduce interference from non-interacting ones. Then, it integrates interaction-consistent knowledge distillation to bolster robustness by pushing relational foreground away from the background while retaining general knowledge. Extensive experimental results on three benchmarks show that ACC achieves state-of-the-art performance, demonstrating the potential of interaction-centric paradigms for real-world applications.

Attributing the behavior of Transformer models to internal computations is a central challenge in mechanistic interpretability. We introduce DePass, a unified framework for feature attribution based on a single decomposed forward pass. DePass decomposes hidden states into customized additive components, then propagates them with attention scores and MLP's activations fixed. It achieves faithful, fine-grained attribution without requiring auxiliary training. We validate DePass across token-level, model component-level, and subspace-level attribution tasks, demonstrating its effectiveness and fidelity. Our experiments highlight its potential to attribute information flow between arbitrary components of a Transformer model. We hope DePass serves as a foundational tool for broader applications in interpretability.

The task of Knowlegde-Based Visual Question Answering (KB-VQA) requires the model to understand visual features and retrieve external knowledge. Retrieval-Augmented Generation (RAG) have been employed to address this problem through knowledge base querying. However, existing work demonstrate two limitations: insufficient interactivity during knowledge retrieval and ineffective organization of retrieved information for Visual-Language Model (VLM). To address these challenges, we propose a three-stage visual language model with Process, Retrieve and Filter (VLM-PRF) framework. For interactive retrieval, VLM-PRF uses reinforcement learning (RL) to guide the model to strategically process information via tool-driven operations. For knowledge filtering, our method trains the VLM to transform the raw retrieved information into into task-specific knowledge. With a dual reward as supervisory signals, VLM-PRF successfully enable model to optimize retrieval strategies and answer generation capabilities simultaneously. Experiments on two datasets demonstrate the effectiveness of our framework.

In recent years, diffusion models trained on equilibrium molecular distributions have proven effective for sampling biomolecules. Beyond direct sampling, the score of such a model can also be used to derive the forces that act on molecular systems. However, while classical diffusion sampling usually recovers the training distribution, the corresponding energy-based interpretation of the learned score is often inconsistent with this distribution, even for low-dimensional toy systems. We trace this inconsistency to inaccuracies of the learned score at very small diffusion timesteps, where the model must capture the correct evolution of the data distribution. In this regime, diffusion models fail to satisfy the Fokker--Planck equation, which governs the evolution of the score. We interpret this deviation as the source of the observed inconsistencies and propose an energy-based diffusion model with a Fokker--Planck-derived regularization term to enforce consistency. We demonstrate our approach by sampling and simulating multiple biomolecular systems, including fast-folding proteins, and by introducing a state-of-the-art transferable Boltzmann emulator for dipeptides that supports simulation and achieves improved consistency and efficient sampling. Our code and self-contained JAX and PyTorch notebooks are available at https://github.com/noegroup/ScoreMD.

Comprehending natural language and following human instructions are critical capabilities for intelligent agents. However, the flexibility of linguistic instructions induces substantial ambiguity across language-conditioned tasks, severely degrading algorithmic performance. To address these limitations, we present a novel method named DAIL (Distributional Aligned Learning), featuring two key components: distributional policy and semantic alignment. Specifically, we provide theoretical results that the value distribution estimation mechanism enhances task differentiability. Meanwhile, the semantic alignment module captures the correspondence between trajectories and linguistic instructions. Extensive experimental results on both structured and visual observation benchmarks demonstrate that DAIL effectively resolves instruction ambiguities, achieving superior performance to baseline methods. Our implementation is available at https://github.com/RunpengXie/Distributional-Aligned-Learning.