NeurIPS 2025 论文列表

Modern large reasoning models (LRMs) exhibit impressive multi-step problem-solving via chain-of-thought (CoT) reasoning. However, this iterative thinking mechanism introduces a new vulnerability surface. We present the Deadlock Attack, a resource exhaustion method that hijacks an LRM's generative control flow by training a malicious adversarial embedding to induce perpetual reasoning loops. Specifically, the optimized embedding encourages transitional tokens (e.g., “Wait”, “But”) after reasoning steps, preventing the model from concluding its answer. A key challenge we identify is the continuous-to-discrete projection gap: naïve projections of adversarial embeddings to token sequences nullify the attack. To overcome this, we introduce a backdoor implantation strategy, enabling reliable activation through specific trigger tokens. Our method achieves a 100\% attack success rate across four advanced LRMs (Phi-RM, Nemotron-Nano, R1-Qwen, R1-Llama) and three math reasoning benchmarks, forcing models to generate up to their maximum token limits. The attack is also stealthy (in terms of causing negligible utility loss on benign user inputs) and remains robust against existing strategies trying to mitigate the overthinking issue. Our findings expose a critical and underexplored security vulnerability in LRMs from the perspective of reasoning (in)efficiency.

We propose *feature perturbation*, a simple yet effective exploration strategy for contextual bandits that injects randomness directly into feature inputs, instead of randomizing unknown parameters or adding noise to rewards. Remarkably, this algorithm achieves $\widetilde{\mathcal{O}}(d\sqrt{T})$ worst-case regret bound for generalized linear contextual bandits, while avoiding the $\widetilde{\mathcal{O}}(d^{3/2}\sqrt{T})$ regret typical of existing randomized bandit algorithms. Because our algorithm eschews parameter sampling, it is both computationally efficient and naturally extends to non-parametric or neural network models. We verify these advantages through empirical evaluations, demonstrating that feature perturbation not only surpasses existing methods but also unifies strong practical performance with the near-optimal regret guarantees.

Large Language Models (LLMs) show great promise in complex reasoning, with Reinforcement Learning with Verifiable Rewards (RLVR) being a key enhancement strategy. However, a prevalent issue is ``superficial self-reflection'', where models fail to robustly verify their own outputs. We introduce RISE (Reinforcing Reasoning with Self-Verification), a novel online RL framework designed to tackle this. RISE explicitly and simultaneously trains an LLM to improve both its problem-solving and self-verification abilities within a single, integrated RL process. The core mechanism involves leveraging verifiable rewards from an outcome verifier to provide on-the-fly feedback for both solution generation and self-verification tasks. In each iteration, the model generates solutions, then critiques its own on-policy generated solutions, with both trajectories contributing to the policy update. Extensive experiments on diverse mathematical reasoning benchmarks show that RISE consistently improves model's problem-solving accuracy while concurrently fostering strong self-verification skills. Our analyses highlight the advantages of online verification and the benefits of increased verification compute. Additionally, RISE models exhibit more frequent and accurate self-verification behaviors during reasoning. These advantages reinforce RISE as a flexible and effective path towards developing more robust and self-aware reasoners.

Large language models (LLMs) have achieved remarkable achievements across diverse applications; however, they remain plagued by spurious correlations and the generation of hallucinated content. Despite extensive efforts to enhance the resilience of LLMs, existing approaches either rely on indiscriminate fine-tuning of all parameters, resulting in parameter inefficiency and lack of specificity, or depend on post-processing techniques that offer limited adaptability and flexibility. This study introduces a novel Causality-driven Robust Optimization (CdRO) approach that selectively updates model components sensitive to causal reasoning, enhancing model causality while preserving valuable pretrained knowledge to mitigate overfitting. Our method begins by identifying the parameter components within LLMs that capture causal relationships, achieved through comparing the training dynamics of parameter matrices associated with the original samples, as well as augmented counterfactual and paraphrased variants. These comparisons are then fed into a lightweight logistic regression model, optimized in real time to dynamically identify and adapt the causal components within LLMs. The identified parameters are subsequently optimized using an enhanced policy optimization algorithm, where the reward function is designed to jointly promote both model generalization and robustness. Extensive experiments across various tasks using twelve different LLMs demonstrate the superior performance of our framework, underscoring its significant effectiveness in reducing the model’s dependence on spurious associations and mitigating hallucinations.

Neural operators or emulators for PDEs trained on data from numerical solvers are conventionally assumed to be limited by their training data's fidelity. We challenge this assumption by identifying "emulator superiority," where neural networks trained purely on low-fidelity solver data can achieve higher accuracy than those solvers when evaluated against a higher-fidelity reference. Our theoretical analysis reveals how the interplay between emulator inductive biases, training objectives, and numerical error characteristics enables superior performance during multi-step rollouts. We empirically validate this finding across different PDEs using standard neural architectures, demonstrating that emulators can implicitly learn dynamics that are more regularized or exhibit more favorable error accumulation properties than their training data, potentially surpassing training data limitations and mitigating numerical artifacts. This work prompts a re-evaluation of emulator benchmarking, suggesting neural emulators might achieve greater physical fidelity than their training source within specific operational regimes. Project Page: https://tum-pbs.github.io/emulator-superiority

Generating high-fidelity, differentially private (DP) synthetic images offers a promising route to share and analyze sensitive visual data without compromising individual privacy. However, existing DP image synthesis methods struggle to produce high-resolution outputs that faithfully capture the structure of the original data. In this paper, we introduce a novel method, referred to as Synthesis via Private Textual Intermediaries (SPTI), that can generate high-resolution DP images with easy adoptions. The key idea is to shift the challenge of DP image synthesis from the image domain to the text domain by leveraging state-of-the-art DP text generation methods. SPTI first summarizes each private image into a concise textual description using image-to-text models, then applies a modified Private Evolution algorithm to generate DP text, and finally reconstructs images using text-to-image models. Notably, SPTI requires no model training, only inferences with off-the-shelf models. Given a private dataset, SPTI produces synthetic images of substantially higher quality than prior DP approaches. On the LSUN Bedroom dataset, SPTI attains an FID $=$ 26.71 under $\epsilon=1.0$, improving over Private Evolution’s FID of 40.36. Similarly, on MM-CelebA-HQ, SPTI achieves an FID $=$ 33.27 at $\epsilon=1.0$, compared to 57.01 from DP fine-tuning baselines. Overall, our results demonstrate that Synthesis via Private Textual Intermediaries provides a resource-efficient and proprietary-model-compatible framework for generating high-resolution DP synthetic images, greatly expanding access to private visual datasets. Our code release: https://github.com/MarkGodrick/SPTI

Sequence models such as transformers require inputs to be represented as one-dimensional sequences. In vision, this typically involves flattening images using a fixed row-major (raster-scan) order. While full self-attention is permutation-equivariant, modern long-sequence transformers increasingly rely on architectural approximations that break this invariance and introduce sensitivity to patch ordering. We show that patch order significantly affects model performance in such settings, with simple alternatives like column-major or Hilbert curves yielding notable accuracy shifts. Motivated by this, we propose _REOrder_, a two-stage framework for discovering task-optimal patch orderings. First, we derive an information-theoretic prior by evaluating the compressibility of various patch sequences. Then, we learn a policy over permutations by optimizing a Plackett-Luce policy using REINFORCE. This approach enables efficient learning in a combinatorial permutation space. _REOrder_ improves top-1 accuracy over row-major ordering on ImageNet-1K by up to 3.01% and Functional Map of the World by 13.35%.

World models have recently gained prominence for action-conditioned visual prediction in complex environments. However, relying on only a few recent observations causes them to lose long-term context. Consequently, within a few steps, the generated scenes drift from what was previously observed, undermining temporal coherence. This limitation, common in state-of-the-art world models, which are diffusion-based, stems from the lack of a lasting environment state. To address this problem, we introduce StateSpaceDiffuser, where a diffusion model is enabled to perform long-context tasks by integrating features from a state-space model, representing the entire interaction history. This design restores long-term memory while preserving the high-fidelity synthesis of diffusion models. To rigorously measure temporal consistency, we develop an evaluation protocol that probes a model’s ability to reinstantiate seen content in extended rollouts. Comprehensive experiments show that StateSpaceDiffuser significantly outperforms a strong diffusion-only baseline, maintaining a coherent visual context for an order of magnitude more steps. It delivers consistent views in both a 2D maze navigation and a complex 3D environment. These results establish that bringing state-space representations into diffusion models is highly effective in demonstrating both visual details and long-term memory. Project page: https://insait-institute.github.io/StateSpaceDiffuser/

Adapting large-scale foundation models in multi-task scenarios often suffers from task conflict and oblivion. To mitigate such issues, we propose a novel "model MoE-ization" strategy that leads to a conflict- and oblivion-resistant multi-task adaptation method. Given a weight matrix of a pre-trained model, our method applies SVD to it and introduces a learnable router to adjust its singular values based on tasks and samples. Accordingly, the weight matrix becomes a Mixture of Orthogonal Rank-one Experts (MoORE), in which each expert corresponds to the outer product of a left singular vector and the corresponding right one. We can improve the model capacity by imposing a learnable orthogonal transform on the right singular vectors. Unlike low-rank adaptation (LoRA) and its MoE-driven variants, MoORE guarantees the experts' orthogonality and maintains the column space of the original weight matrix. These two properties make the adapted model resistant to the conflicts among the new tasks and the oblivion of its original tasks, respectively. Experiments on various datasets demonstrate that MoORE outperforms existing multi-task adaptation methods consistently, showing its superiority in terms of conflict- and oblivion-resistance. The code is available at https://github.com/DaShenZi721/MoORE.

Constructing accurate digital twins of articulated objects is essential for robotic simulation training and embodied AI world model building, yet historically requires painstaking manual modeling or multi-stage pipelines. In this work, we propose \textbf{URDF-Anything}, an end-to-end automatic reconstruction framework based on a 3D multimodal large language model (MLLM). URDF-Anything utilizes an autoregressive prediction framework based on point-cloud and text multimodal input to jointly optimize geometric segmentation and kinematic parameter prediction. It implements a specialized [SEG] token mechanism that interacts directly with point cloud features, enabling fine-grained part-level segmentation while maintaining consistency with the kinematic parameter predictions. Experiments on both simulated and real-world datasets demonstrate that our method significantly outperforms existing approaches regarding geometric segmentation (mIoU 17\% improvement), kinematic parameter prediction (average error reduction of 29\%), and physical executability (surpassing baselines by 50\%). Notably, our method exhibits excellent generalization ability, performing well even on objects outside the training set. This work provides an efficient solution for constructing digital twins for robotic simulation, significantly enhancing the sim-to-real transfer capability.

Autonomy is a hallmark of animal intelligence, enabling adaptive and intelligent behavior in complex environments without relying on external reward or task structure. Existing reinforcement learning approaches to exploration in reward-free environments, including a class of methods known as *model-based intrinsic motivation*, exhibit inconsistent exploration patterns and do not converge to an exploratory policy, thus failing to capture robust autonomous behaviors observed in animals. Moreover, systems neuroscience has largely overlooked the neural basis of autonomy, focusing instead on experimental paradigms where animals are motivated by external reward rather than engaging in ethological, naturalistic and task-independent behavior. To bridge these gaps, we introduce a novel model-based intrinsic drive explicitly designed after the principles of autonomous exploration in animals. Our method (3M-Progress) achieves animal-like exploration by tracking divergence between an online world model and a fixed prior learned from an ecological niche. To the best of our knowledge, we introduce the first autonomous embodied agent that predicts brain data entirely from self-supervised optimization of an intrinsic goal—without any behavioral or neural training data—demonstrating that 3M-Progress agents capture the explainable variance in behavioral patterns and whole-brain neural-glial dynamics recorded from autonomously behaving larval zebrafish, thereby providing the first goal-driven, population-level model of neural-glial computation. Our findings establish a computational framework connecting model-based intrinsic motivation to naturalistic behavior, providing a foundation for building artificial agents with animal-like autonomy.

We study contextual dynamic pricing when a target market can leverage $K$ auxiliary markets—offline logs or concurrent streams—whose *mean utilities differ by a structured preference shift*. We propose *Cross-Market Transfer Dynamic Pricing (CM-TDP)*, the first algorithm that *provably* handles such model-shift transfer and delivers minimax-optimal regret for *both* linear and non-parametric utility models. For linear utilities of dimension $d$, where the *difference* between source- and target-task coefficients is $s_{0}$-sparse, CM-TDP attains regret $\tilde{\mathcal{O}}\bigl((dK^{-1}+s_{0})\log T\bigr)$. For nonlinear demand residing in a reproducing kernel Hilbert space with effective dimension $\alpha$, complexity $\beta$ and task-similarity parameter $H$, the regret becomes $\tilde{\mathcal{O}}\bigl(K^{-2\alpha\beta/(2\alpha\beta+1)}T^{1/(2\alpha\beta+1)} + H^{2/(2\alpha+1)}T^{1/(2\alpha+1)}\bigr)$, matching information-theoretic lower bounds up to logarithmic factors. The RKHS bound is the first of its kind for transfer pricing and is of independent interest. Extensive simulations show up to 38\% higher cumulative revenue and $6\times$ faster convergence relative to single-market pricing baselines. By bridging transfer learning, robust aggregation, and revenue optimization, CM-TDP moves toward pricing systems that *transfer faster, price smarter*.

3D molecule generation is crucial for drug discovery and material science, requiring models to process complex multi-modalities, including atom types, chemical bonds, and 3D coordinates. A key challenge is integrating these modalities of different shapes while maintaining SE(3) equivariance for 3D coordinates. To achieve this, existing approaches typically maintain separate latent spaces for invariant and equivariant modalities, reducing efficiency in both training and sampling. In this work, we propose **U**nified Variational **A**uto-**E**ncoder for **3D** Molecular Latent Diffusion Modeling (**UAE-3D**), a multi-modal VAE that compresses 3D molecules into latent sequences from a unified latent space, while maintaining near-zero reconstruction error. This unified latent space eliminates the complexities of handling multi-modality and equivariance when performing latent diffusion modeling. We demonstrate this by employing the Diffusion Transformer--a general-purpose diffusion model without any molecular inductive bias--for latent generation. Extensive experiments on GEOM-Drugs and QM9 datasets demonstrate that our method significantly establishes new benchmarks in both *de novo* and conditional 3D molecule generation, achieving leading efficiency and quality. On GEOM-Drugs, it reduces FCD by 72.6% over the previous best result, while achieving over 70% relative average improvements in geometric fidelity. Our code is released at [https://github.com/lyc0930/UAE-3D/](https://github.com/lyc0930/UAE-3D/).

There has been great progress in improving numerical weather prediction and climate models using machine learning. However, most global models act at a kilometer-scale, making it challenging to model individual clouds and factors such as extreme precipitation, wind gusts, turbulence, and surface irradiance. Therefore, there is a need to move towards higher-resolution models, which in turn require high-resolution real-world observations that current instruments struggle to obtain. We present Cloud4D, the first learning-based framework that reconstructs a physically consistent, four–dimensional cloud state using only synchronized ground‐based cameras. Leveraging a homography-guided 2D‐to‐3D transformer, Cloud4D infers the full 3D distribution of liquid water content at 25 m spatial and 5 s temporal resolution. By tracking the 3D liquid water content retrievals over time, Cloud4D additionally estimates horizontal wind vectors. Across a two-month deployment comprising six skyward cameras, our system delivers an order-of-magnitude improvement in space-time resolution relative to state-of-the-art satellite measurements, while retaining single-digit relative error ($<10\\%$) against collocated radar measurements.

Recently, Multimodal Large Language Models (MLLMs) have made rapid progress, particularly in enhancing their reasoning capabilities. However, existing reasoning benchmarks still primarily assess language-based reasoning, often treating visual input as replaceable context. To address this gap, we introduce BLINK-Twice, a vision-centric reasoning benchmark grounded in challenging perceptual tasks. Instead of relying on external knowledge, our tasks require models to reason from visual content alone, shifting the focus from language-based to image-grounded reasoning. Compared to prior perception benchmarks, it moves beyond shallow perception ("see") and requires fine-grained observation and analytical reasoning ("observe"). BLINK-Twice integrates three core components: seven types of visual challenges for testing visual reasoning, natural adversarial image pairs that enforce reliance on visual content, and annotated reasoning chains for fine-grained evaluation of the reasoning process rather than final answers alone. We evaluate 20 leading MLLMs, including 12 foundation models and 8 reasoning-enhanced models. BLINK-Twice poses a significant challenge to current models. While existing reasoning strategies in the language space—such as chain-of-thought or self-criticism can improve performance, they often result in unstable and redundant reasoning. We observe that repeated image observation improves performance across models, and active visual interaction, as demonstrated by models like o3, highlights the need for a new paradigm for vision reasoning. The dataset is publicly available at https://github.com/PicoTrex/BLINK-Twice.

Follow-the-Regularized-Leader (FTRL) policies have achieved Best-of-Both-Worlds (BOBW) results in various settings through hybrid regularizers, whereas analogous results for Follow-the-Perturbed-Leader (FTPL) remain limited due to inherent analytical challenges. To advance the analytical foundations of FTPL, we revisit classical FTRL-FTPL duality for unbounded perturbations and establish BOBW results for FTPL under a broad family of asymmetric unbounded Fréchet-type perturbations, including hybrid perturbations combining Gumbel-type and Fréchet-type tails. These results not only extend the BOBW results of FTPL but also offer new insights into designing alternative FTPL policies competitive with hybrid regularization approaches. Motivated by earlier observations in two-armed bandits, we further investigate the connection between the $1/2$-Tsallis entropy and a Fréchet-type perturbation. Our numerical observations suggest that it corresponds to a symmetric Fréchet-type perturbation, and based on this, we establish the first BOBW guarantee for symmetric unbounded perturbations in the two-armed setting. In contrast, in general multi-armed bandits, we find an instance in which symmetric Fréchet-type perturbations violate the standard condition for BOBW analysis, which is a problem not observed with asymmetric or nonnegative Fréchet-type perturbations. Although this example does not rule out alternative analyses achieving BOBW results, it suggests the limitations of directly applying the relationship observed in two-armed cases to the general case and thus emphasizes the need for further investigation to fully understand the behavior of FTPL in broader settings.

Real-world objects frequently undergo state transformations. From an apple being cut into pieces to a butterfly emerging from its cocoon, tracking through these changes is important for understanding real-world objects and dynamics. However, existing methods often lose track of the target object after transformation, due to significant changes in object appearance. To address this limitation, we introduce the task of Track Any State: tracking objects through transformations while detecting and describing state changes, accompanied by a new benchmark dataset, VOST-TAS. To tackle this problem, we present TubeletGraph, a zero-shot system that recovers missing objects after transformation and maps out how object states are evolving over time. TubeletGraph first identifies potentially overlooked tracks, and determines whether they should be integrated based on semantic and proximity priors. Then, it reasons about the added tracks and generates a state graph describing each observed transformation. TubeletGraph achieves state-of-the-art tracking performance under transformations, while demonstrating deeper understanding of object transformations and promising capabilities in temporal grounding and semantic reasoning for complex object transformations. Code, additional results, and the benchmark dataset are available at https://tubelet-graph.github.io.

Graph foundation models (GFMs) have emerged as a promising paradigm for learning transferable knowledge across diverse graph-structured data. The inherent heterogeneity in features and graph structures poses significant challenges for building scalable and generalizable GFMs. Existing research has employed mixture-of-experts (MoE) models to handle the challenges, assigning the most suitable expert to each graph. Despite this, the underlying mechanisms of MoE within the context of GFMs remain insufficiently explored. In this work, we conduct an in-depth experimental study on an MoE-based GFM and uncover an intriguing finding: the experts ranked second and third assigned by the router perform better than the top-ranked expert. This insight motivates us to investigate the potential of leveraging knowledge embedded across multiple experts. However, directly ensembling the outputs of multiple experts would incur substantial computational overhead, while applying a standard expert merging strategy risks suboptimal performance. To address these challenges, we introduce two enhanced expert merging strategies that retain the computational efficiency of expert merging, while improving performance to approach the effectiveness of expert ensembling. Specifically, we propose (i) a knowledge distillation-inspired expert merging method that aligns the behavior of parameter-fused experts with expert ensembles, and (ii) a theoretical parameter proximity approach that leverages the similarity of expert parameters to approximate ensemble outputs while preserving diversity. Extensive experiments demonstrate that our methods effectively enhance model performance.

Biological and artificial vision systems both rely on hierarchical architectures, yet it remains unclear how their representational geometry evolves across processing stages, and what functional consequences may arise from potential differences. In this work, we systematically quantify and compare the linear and non-linear dimensionality of human brain activity (fMRI) and artificial neural networks (ANNs) during natural image viewing. In the human ventral visual stream, both dimensionality measures increase along the visual hierarchy, supporting the emergence of semantic and abstract representations. For linear dimensionality, most ANNs show a similar increase, but only for pooled features, emphasizing the importance of appropriate feature readouts in brain–model comparisons. In contrast, nonlinear dimensionality shows a collapse in the later layers of ANNs, pointing at a mismatch in representational geometry between the human and artificial visual systems. This mismatch may have functional consequences: while high-dimensional brain representations support flexible generalization to abstract features, ANNs appear to lose this capacity in later layers, where their representations become overly compressed. Overall, our findings propose dimensionality alignment as a benchmark for building more flexible and biologically grounded vision models.