NeurIPS 2025 论文列表

Demonstrations and instructions are two primary approaches for prompting language models to perform in-context learning (ICL) tasks. Do identical tasks elicited in different ways result in similar representations of the task? An improved understanding of task representation mechanisms would offer interpretability insights and may aid in steering models. We study this through function vectors (FVs), recently proposed as a mechanism to extract few-shot ICL task representations. We generalize FVs to alternative task presentations, focusing on short textual instruction prompts, and successfully extract instruction function vectors that promote zero-shot task accuracy. We find evidence that demonstration- and instruction-based function vectors leverage different model components, and offer several controls to dissociate their contributions to task performance. Our results suggest that different task prompting forms do not induce a common task representation through FVs but elicit different, partly overlapping mechanisms. Our findings offer principled support to the practice of combining instructions and task demonstrations, imply challenges in universally monitoring task inference across presentation forms, and encourage further examinations of LLM task inference mechanisms.

Many complex networks have partially observed or evolving connectivity, making link prediction a fundamental task. Topological link prediction infers missing links using only network topology, with applications in social, biological, and technological systems. The Cannistraci-Hebb (CH) theory provides a topological formulation of Hebbian learning, grounded on two pillars: (1) the **minimization of external links** within local communities, and (2) the **path-based definition of local communities** that capture homophilic (similarity-driven) interactions via paths of length 2 and synergetic (diversity-driven) interactions via paths of length 3. Building on this, we introduce the Cannistraci-Hebb Adaptive (CHA) network automata, an adaptive learning machine that automatically selects the optimal CH rule and path length to model each network. CHA unifies theoretical interpretability and data-driven adaptivity, bridging physics-inspired network science and machine intelligence. Across 1,269 networks from 14 domains, CHA consistently surpasses state-of-the-art methods—including SPM, SBM, graph embedding methods, and message-passing graph neural networks—while revealing the mechanistic principles governing link formation. Our code is available at https://github.com/biomedical-cybernetics/Cannistraci_Hebb_network_automata.

Event cameras offer microsecond-level latency and robustness to motion blur, making them ideal for understanding dynamic environments. Yet, connecting these asynchronous streams to human language remains an open challenge. We introduce Talk2Event, the first large-scale benchmark for language-driven object grounding in event-based perception. Built from real-world driving data, Talk2Event provides over 30,000 validated referring expressions, each enriched with four grounding attributes -- appearance, status, relation to viewer, and relation to other objects -- bridging spatial, temporal, and relational reasoning. To fully exploit these cues, we propose EventRefer, an attribute-aware grounding framework that dynamically fuses multi-attribute representations through a Mixture of Event-Attribute Experts (MoEE). Our method adapts to different modalities and scene dynamics, achieving consistent gains over state-of-the-art baselines in event-only, frame-only, and event-frame fusion settings. We hope our dataset and approach will establish a foundation for advancing multimodal, temporally-aware, and language-driven perception in real-world robotics and autonomy.

Formal reasoning and automated theorem proving constitute a challenging subfield of machine learning, in which machines are tasked with proving mathematical theorems using formal languages like Lean. A formal verification system can check whether a formal proof is correct or not almost instantaneously, but generating a completely correct formal proof with large language models (LLMs) remains a formidable task. The usual approach in the literature is to prompt the LLM many times (up to several thousands) until one of the generated proofs passes the verification system. In this work, we present APOLLO (**A**utomated **P**r**O**of repair via**L**LM and **L**ean c**O**llaboration), a modular, model‑agnostic agentic framework that combines the strengths of the Lean compiler with an LLM’s reasoning abilities to achieve better proof‐generation results at a low token and sampling budgets. _Apollo_ directs a fully automated process in which the LLM generates proofs for theorems, a set of agents analyze the proofs, fix the syntax errors, identify the mistakes in the proofs using Lean, isolate failing sub‑lemmas, utilize automated solvers, and invoke an LLM on each remaining goal with a low top‑K budget. The repaired sub‑proofs are recombined and reverified, iterating up to a user‑controlled maximum number of attempts. On the miniF2F benchmark, we establish a new state‑of‑the‑art accuracy of 84.9% among sub 8B‑parameter models (as of August 2025) while keeping the sampling budget below one hundred. Moreover, _Apollo_ raises the state‑of‑the‑art accuracy for Goedel‑Prover‑SFT to 65.6% while cutting sample complexity from 25,600 to a few hundred. General‑purpose models (o3‑mini, o4‑mini) jump from 3–7% to over 40% accuracy. Our results demonstrate that targeted, compiler‑guided repair of LLM outputs yields dramatic gains in both efficiency and correctness, suggesting a general paradigm for scalable automated theorem proving. The codebase is available at https://github.com/aziksh-ospanov/APOLLO

We propose a method for density estimation that leverages an estimated score function to debias kernel density estimation (SD-KDE). In our approach, each data point is adjusted by taking a single step along the score function with a specific choice of step size, followed by standard KDE with a modified bandwidth. The step size and modified bandwidth are chosen to remove the leading order bias in the KDE, improving the asymptotic convergence rate. Our experiments on synthetic tasks in 1D, 2D and on MNIST, demonstrate that our proposed SD-KDE method significantly reduces the mean integrated squared error compared to the standard Silverman KDE, even with noisy estimates in the score function. These results underscore the potential of integrating score-based corrections into nonparametric density estimation.

We consider the basic problem of learning Single-Index Models with respect to the square loss under the Gaussian distribution in the presence of adversarial label noise. Our main contribution is the first computationally efficient algorithm for this learning task, achieving a constant factor approximation, that succeeds for the class of {\em all} monotone activations with bounded moment of order $2 + \zeta,$ for $\zeta > 0.$ This class in particular includes all monotone Lipschitz functions and even discontinuous functions like (possibly biased) halfspaces. Prior work for the case of unknown activation either does not attain constant factor approximation or succeeds for a substantially smaller family of activations. The main conceptual novelty of our approach lies in developing an optimization framework that steps outside the boundaries of usual gradient methods and instead identifies a useful vector field to guide the algorithm updates by directly leveraging the problem structure, properties of Gaussian spaces, and regularity of monotone functions.

Muscle coordination is fundamental when humans interact with the world. Reliable estimation of hand muscle engagement can serve as a source of internal feedback, supporting the development of embodied intelligence and the acquisition of dexterous skills. However, contemporary electromyography (EMG) sensing techniques either require prohibitively expensive devices or are constrained to gross motor movements, which inherently involve large muscles. On the other hand, EMGs exhibit dependency on individual anatomical variability and task-specific contexts, resulting in limited generalization. In this work, we preliminarily investigate the latent pose-EMG correspondence using a general EMG gesture dataset. We further introduce a multimodal dataset, PianoKPM Dataset, and a hand muscle estimation framework, PianoKPM Net, to facilitate high-fidelity EMG inference. Subsequently, our approach is compared against reproducible competitive baselines. The generalization and adaptation across unseen users and tasks are evaluated by quantifying the training set scale and the included data amount.

Reinforcement learning with verifiable rewards (RLVR) is a promising approach for training language models (LMs) on reasoning tasks that elicit emergent long chains of thought (CoTs). Unlike supervised learning, it updates the model using both correct and incorrect samples via policy gradients. To better understand its mechanism, we decompose the learning signal into reinforcing correct responses and penalizing incorrect ones, referred to as **P**ositive and **N**egative **S**ample **R**einforcement (**PSR** and **NSR**), respectively. We train `Qwen2.5-Math-7B`, `Qwen3-4B` and `Llama-3.1-8B-Instruct` on a mathematical reasoning dataset and uncover a surprising result: training with only negative samples — without reinforcing correct responses — can be highly effective: it consistently improves performance over the base model across the entire Pass@$k$ spectrum $k$ up to 256), often matching or surpassing PPO and GRPO. In contrast, reinforcing only correct responses improves Pass@1 but degrades performance at higher $k$, due to reduced diversity. These inference-scaling trends highlight that solely penalizing incorrect responses may contribute more to performance than previously recognized. Through gradient analysis, we show that NSR works by suppressing incorrect generations and redistributing probability mass toward other plausible candidates, guided by the model's prior beliefs. It refines the model's existing knowledge rather than introducing entirely new behaviors. Building on this insight, we propose a simple variant of the RL objective that upweights NSR, and show that it consistently improves overall Pass@$k$ performance on MATH, AIME 2025, and AMC23. Our code is available at [`https://github.com/TianHongZXY/RLVR-Decomposed`](https://github.com/TianHongZXY/RLVR-Decomposed).

Mathematicians have long employed decomposition techniques to prove inequalities, yet automating this process remains a significant challenge in computational mathematics. We introduce IneqSearch, a hybrid reasoning system that integrates symbolic computation with large language models (LLMs) to address this challenge. IneqSearch reformulates inequality proving as a structured search problem: identifying appropriate combinations of theorems that decompose expressions into non-negative components. The system combines a symbolic solver for deductive reasoning with an LLM-based agent for constructive proof exploration, effectively implementing methodologies observed in formal mathematical practice. A key contribution of IneqSearch is its iterative learning mechanism that systematically incorporates newly proven results into its theorem database, enabling knowledge acquisition during practice that enhances its capabilities without requiring human intervention. In empirical evaluation on 437 Olympiad-level inequalities, IneqSearch successfully proves 342 problems, significantly outperforming existing methods and demonstrating the effectiveness of integrating symbolic and neural approaches for mathematical reasoning.

Multi-source transfer learning provides an effective solution to data scarcity in real-world supervised learning scenarios by leveraging multiple source tasks. In this field, existing works typically use all available samples from sources in training, which constrains their training efficiency and may lead to suboptimal results. To address this, we propose a theoretical framework that answers the question: what is the optimal quantity of source samples needed from each source task to jointly train the target model? Specifically, we introduce a generalization error measure based on K-L divergence, and minimize it based on high-dimensional statistical analysis to determine the optimal transfer quantity for each source task. Additionally, we develop an architecture-agnostic and data-efficient algorithm OTQMS to implement our theoretical results for target model training in multi-source transfer learning. Experimental studies on diverse architectures and two real-world benchmark datasets show that our proposed algorithm significantly outperforms state-of-the-art approaches in both accuracy and data efficiency. The code is available at https://github.com/zqy0126/OTQMS.

Training deep neural networks (DNNs) is a structured optimization problem, because the parameters are naturally represented by matrices and tensors rather than simple vectors. Under this structural representation, it has been widely observed that gradients are low-rank and Hessians are approximately block-wise diagonal. These structured properties are crucial for designing efficient optimization algorithms but may not be utilized by current popular optimizers like Adam. In this paper, we present a novel optimization algorithm ASGO that capitalizes on these properties by employing a preconditioner that is adaptively updated using structured gradients. By fine-grained theoretical analysis, ASGO is proven to achieve superior convergence rates compared to existing structured gradient methods. Based on the convergence theory, we further demonstrate that ASGO can benefit from the low-rank and block-wise diagonal properties. We also discuss practical modifications of ASGO and empirically verify the effectiveness of the algorithm on language model tasks.

We study the mediation analysis under the distributed framework, where data are stored and processed across different worker machines due to storage limitations or privacy concerns. Building upon the classic Sobel's test and MaxP test, we introduce the distributed Sobel's test and distributed MaxP test, respectively. These tests are both communication-efficient and easy to implement. Theoretical analysis and numerical experiments show that, compared to the global test obtained by pooling all data together, the proposed tests achieve nearly identical power, independent of the number of machines. Furthermore, based on these two distributed test statistics, many enhanced mediation tests derived from the Sobel's or MaxP tests can be easily adapted to the distributed system. We apply our method to an educational study, testing whether the effect of high school mathematics on college-level Probability and Mathematical Statistics courses is mediated by Calculus. Our method successfully detects the mediation effect, which would not be identifiable using data from only the first or second class, highlighting the advantage of our approach.

Global Covariance Pooling (GCP) has garnered increasing attention in visual recognition tasks, where second-order statistics frequently yield stronger representations than first-order approaches. However, two main streams of GCP---Newton--Schulz-based iSQRT-COV and exact or near-exact SVD methods---struggle at opposite ends of the training spectrum. While iSQRT-COV stabilizes early learning by avoiding large gradient explosions, it over-compresses significant eigenvalues in later stages, causing an \emph{over-flattening} phenomenon that stalls final accuracy. In contrast, SVD-based methods excel at preserving the high-eigenvalue structure essential for deep networks but suffer from sensitivity to small eigenvalue gaps early on. We propose \textbf{Halley-SVD}, a high-order iterative method that unites the smooth gradient advantages of iSQRT-COV with the late-stage fidelity of SVD. Grounded in Halley's iteration, our approach obviates explicit divisions by $(\lambda_i - \lambda_j)$ and forgoes threshold- or polynomial-based heuristics. As a result, it prevents both early gradient explosions and the excessive compression of large eigenvalues. Extensive experiments on CNNs and transformer architectures show that Halley-SVD consistently and robustly outperforms iSQRT-COV at large model scales and batch sizes, achieving higher overall accuracy without mid-training switches or custom truncations. This work provides a new solution to the long-standing dichotomy in GCP, illustrating how high-order methods can balance robustness and spectral precision to fully harness the representational power of modern deep networks.

Vision–language models (VLMs) exhibit strong zero-shot generalization on natural images and show early promise in interpretable medical image analysis. However, existing benchmarks do not systematically evaluate whether these models truly reason like human clinicians or merely imitate superficial patterns. To address this gap, we propose DrVD-Bench, the first multimodal benchmark for clinical visual reasoning. DrVD-Bench consists of three modules: Visual Evidence Comprehension, Reasoning Trajectory Assessment, and Report Generation Evaluation, comprising a total of 7,789 image–question pairs. Our benchmark covers 20 task types, 17 diagnostic categories, and five imaging modalities—CT, MRI, ultrasound, radiography, and pathology. DrVD-Bench is explicitly structured to reflect the clinical reasoning workflow from modality recognition to lesion identification and diagnosis. We benchmark 19 VLMs, including general-purpose and medical-specific, open-source and proprietary models, and observe that performance drops sharply as reasoning complexity increases. While some models begin to exhibit traces of human-like reasoning, they often still rely on shortcut correlations rather than grounded visual understanding. DrVD-Bench offers a rigorous and structured evaluation framework to guide the development of clinically trustworthy VLMs.

We introduce scalable algorithms for online learning of neural network parameters and Bayesian sequential decision making. Unlike classical Bayesian neural networks, which induce predictive uncertainty through a posterior over model parameters, our methods adopt a predictive-first perspective based on martingale posteriors. In particular, we work directly with the one-step-ahead posterior predictive, which we parameterize with a neural network and update sequentially with incoming observations. This decouples Bayesian decision-making from parameter-space inference: we sample from the posterior predictive for decision making, and update the parameters of the posterior predictive via fast, frequentist Kalman-filter-like recursions. Our algorithms operate in a fully online, replay-free setting, providing principled uncertainty quantification without costly posterior sampling. Empirically, they achieve competitive performance–speed trade-offs in non-stationary contextual bandits and Bayesian optimization, offering 10–100 times faster inference than classical Thompson sampling while maintaining comparable or superior decision performance.

We present ExAct, a new video-language benchmark for expert-level understanding of skilled physical human activities. Our new benchmark contains 3,521 expert-curated video question-answer pairs spanning 11 physical activities in 6 domains: Sports, Bike Repair, Cooking, Health, Music, and Dance. ExAct requires the correct answer to be selected from five carefully designed candidate options, thus necessitating a nuanced, fine-grained, expert-level understanding of physical human skills. Evaluating the recent state-of-the-art VLMs on ExAct reveals a substantial performance gap relative to human expert performance. Specifically, the best-performing Gemini 2.5 Pro model achieves only 55.35% accuracy, well below the 82.02% attained by trained human experts. We believe that ExAct will be beneficial for developing and evaluating VLMs capable of precise understanding of human skills in various physical and procedural domains. Dataset and code are available at https://texaser.github.io/exact_project_page/.

Retraining a model using its own predictions together with the original, potentially noisy labels is a well-known strategy for improving the model’s performance. While prior works have demonstrated the benefits of specific heuristic retraining schemes, the question of how to optimally combine the model's predictions and the provided labels remains largely open. This paper addresses this fundamental question for binary classification tasks. We develop a principled framework based on approximate message passing (AMP) to analyze iterative retraining procedures for two ground truth settings: Gaussian mixture model (GMM) and generalized linear model (GLM). Our main contribution is the derivation of the Bayes optimal aggregator function to combine the current model's predictions and the given labels, which when used to retrain the same model, minimizes its prediction error. We also quantify the performance of this optimal retraining strategy over multiple rounds. We complement our theoretical results by proposing a practically usable version of the theoretically-optimal aggregator function and demonstrate its superiority over baseline methods under different label noise models.

Sensor fusion of camera, LiDAR, and 4-dimensional (4D) Radar has brought a significant performance improvement in autonomous driving. However, there still exist fundamental challenges: deeply coupled fusion methods assume continuous sensor availability, making them vulnerable to sensor degradation and failure, whereas sensor-wise cross-attention fusion methods struggle with computational cost and unified feature representation. This paper presents availability-aware sensor fusion (ASF), a novel method that employs unified canonical projection (UCP) to enable consistency in all sensor features for fusion and cross-attention across sensors along patches (CASAP) to enhance robustness of sensor fusion against sensor degradation and failure. As a result, the proposed ASF shows a superior object detection performance to the existing state-of-the-art fusion methods under various weather and sensor degradation (or failure) conditions; Extensive experiments on the K-Radar dataset demonstrate that ASF achieves improvements of 9.7\% in $AP_{BEV}$ (87.2\%) and 20.1\% in $AP_{3D}$ (73.6\%) in object detection at IoU=0.5, while requiring a low computational cost. All codes are available at https://github.com/kaist-avelab/k-radar.

Text-3D Scene Retrieval (T3SR) aims to retrieve relevant scenes using linguistic queries. Although traditional T3SR methods have made significant progress in capturing fine-grained associations, they implicitly assume that query descriptions are information-complete. In practical deployments, however, limited by the capabilities of users and models, it is difficult or even impossible to directly obtain a perfect textual query suiting the entire scene and model, thereby leading to performance degradation. To address this issue, we propose a novel Interactive Text-3D Scene Retrieval Method (IDeal), which promotes the enhancement of the alignment between texts and 3D scenes through continuous interaction. To achieve this, we present an Interactive Retrieval Refinement framework (IRR), which employs a questioner to pose contextually relevant questions to an answerer in successive rounds that either promote detailed probing or encourage exploratory divergence within scenes. Upon the iterative responses received from the answerer, IRR adopts a retriever to perform both feature-level and semantic-level information fusion, facilitating scene-level interaction and understanding for more precise re-rankings. To bridge the domain gap between queries and interactive texts, we propose an Interaction Adaptation Tuning strategy (IAT). IAT mitigates the discriminability and diversity risks among augmented text features that approximate the interaction text domain, achieving contrastive domain adaptation for our retriever. Extensive experimental results on three datasets demonstrate the superiority of IDeal.