NeurIPS 2025 论文列表

Large language models (LLMs) are often prompted with multi-level directives, such as system instructions and user queries, that imply a hierarchy of authority. Yet models frequently fail to enforce this structure, especially in multi-step reasoning where errors propagate across intermediate steps. Existing methods rely on oracle completions but lack verifiable reward signals or intermediate traces, limiting their applicability. We introduce a unified supervision framework that embeds programmatically verifiable checkers into synthesized instruction-conflict instances. Each instance pairs a compliance directive with a conflicting one, along with an executable verifier that deterministically checks output adherence. This enables alignment without oracle labels or reasoning traces, supporting both instruction-tuned and reasoning models. The framework is instantiated via a synthesis pipeline that includes unit-test–based validation, LLM-assisted repair, and a probabilistic analysis of cleaning reliability. Fine-tuning on the resulting data improves instruction hierarchy adherence and boosts safety robustness, generalizing to adversarial safety benchmarks without task-specific supervision. This highlights verifiable supervision as a scalable foundation for robust alignment. All code, dataset, and verifier pipeline are publicly available at: https://github.com/cycraft-corp/BeyondOracle.

Paucity of medical data severely limits the generalizability of diagnostic ML models, as the full spectrum of disease variability can not be represented by a small clinical dataset. To address this, diffusion models (DMs) have been considered as a promising avenue for synthetic image generation and augmentation. However, they frequently produce _medically inaccurate_ images, deteriorating the model performance. Expert domain knowledge is critical for synthesizing images that correctly encode clinical information, especially when data is scarce and quality outweighs quantity. Existing approaches for incorporating human feedback, such as reinforcement learning (RL) and Direct Preference Optimization (DPO), rely on robust reward functions or demand labor-intensive expert evaluations. Recent progress in Multimodal Large Language Models (MLLMs) reveals their strong visual reasoning capabilities, making them adept candidates as evaluators. In this work, we propose a novel framework, coined MAGIC (**M**edically **A**ccurate **G**eneration of **I**mages through AI-Expert **C**ollaboration), that synthesizes clinically accurate skin disease images for data augmentation. Our method creatively translates expert-defined criteria into actionable feedback for image synthesis of DMs, significantly improving clinical accuracy while reducing the direct human workload. Experiments demonstrate that our method greatly improves the clinical quality of synthesized skin disease images, with outputs aligning with dermatologist assessments. Additionally, augmenting training data with these synthesized images improves diagnostic accuracy by +9.02% on a challenging 20-condition skin disease classification task, and by +13.89% in the few-shot setting. Beyond image synthesis, MAGIC illustrates a task-centric alignment paradigm: instead of adapting MLLMs to niche medical tasks, it adapts tasks to the evaluative strengths of general-purpose MLLMs by decomposing domain knowledge into attribute-level checklists. This design offers a scalable and reliable path for leveraging foundation models in specialized domains.

Visual encoders have become fundamental components in modern computer vision pipelines. However, ensuring robustness against adversarial perturbations remains a critical challenge. Recent efforts have explored both supervised and unsupervised adversarial fine-tuning strategies. We identify two key limitations in these approaches: (i) they often suffer from instability, especially during the early stages of fine-tuning, resulting in suboptimal convergence and degraded performance on clean data, and (ii) they exhibit a suboptimal trade-off between robustness and clean data accuracy, hindering the simultaneous optimization of both objectives. To overcome these challenges, we propose **L**agrangian-**O**ptimized **R**obust **E**mbeddings (LORE), a novel unsupervised adversarial fine-tuning framework. LORE utilizes constrained optimization, which offers a principled approach to balancing competing goals, such as improving robustness while preserving nominal performance. By enforcing embedding-space proximity constraints, LORE effectively maintains clean data performance throughout adversarial fine-tuning. Extensive experiments show that LORE stabilizes training and significantly improves zero-shot adversarial robustness with minimal degradation in clean data accuracy. Furthermore, we demonstrate the effectiveness of the adversarially fine-tuned image encoder in out-of-distribution generalization and enhancing the interpretability of image embeddings. The code is available on [GitHub](https://github.com/Theborna/LORE-Lagrangian-Optimized-Robust-Embeddings).

We study bilevel optimization problems where the lower-level problems are strongly convex and have coupled linear constraints. To overcome the potential non-smoothness of the hyper-objective and the computational challenges associated with the Hessian matrix, we utilize penalty and augmented Lagrangian methods to reformulate the original problem as a single-level one. Especially, we establish a strong theoretical connection between the reformulated function and the original hyper-objective by characterizing the closeness of their values and derivatives. Based on this reformulation, we propose a single-loop, first-order algorithm for linearly constrained bilevel optimization (SFLCB). We provide rigorous analyses of its non-asymptotic convergence rates, showing an improvement over prior double-loop algorithms -- form $O(\epsilon^{-3}\log(\epsilon^{-1}))$ to $O(\epsilon^{-3})$. The experiments corroborate our theoretical findings and demonstrate the practical efficiency of the proposed SFLCB algorithm. Simulation code is provided at https://github.com/ShenGroup/SFLCB.

Recent advances in graph machine learning have shifted to data-centric paradigms, driven by two emerging research fields: (1) Federated graph learning (FGL) facilitates multi-client collaboration but struggles with data and task heterogeneity, resulting in limited practicality; (2) Graph foundation model (GFM) enables desirable domain generalization but is typically confined to single-machine training, neglecting the potential of cross-silo data and computational resources. It is evident that these two paradigms are complementary, and their integration offers substantial advantages. Motivated by this, we present a pioneering study about the federated graph foundation model (FedGFM), a novel decentralized GFM training paradigm. Despite the promising vision of FedGFM, knowledge entanglement has emerged as a critical challenge, where multi-domain knowledge is encoded into indistinguishable representations, thereby limiting downstream adaptation. To this end, we propose FedGFM+, an effective FedGFM framework with two key modules to mitigate knowledge entanglement in a dual-pronged manner. (1) AncDAI: From a global perspective, we introduce a novel anchor-based domain-aware initialization strategy. Before pre-training, each client encodes its local graph into a domain-specific prototypes, which serve as semantic anchors in the representation space. Around each anchor, we construct synthetic embeddings to initialize the global model. We theoretically show that these prototypes are distinguishable across domains, and the initialization provides a strong inductive bias that facilitates disentanglement of domain-specific knowledge. (2) AdaDPP: From a local perspective, during pre-training, each client independently learns a lightweight graph prompt that captures domain semantic preferences. During fine-tuning, prompts from all clients are aggregated into an adaptive domain-sensitive prompt pool, from which the GFM selects relevant prompts to augment the target graph’s attributes, thereby improving the downstream adaptation. FedGFM+ is extensively evaluated on 8 diverse benchmarks spanning multiple domains and tasks, outperforming 20 baselines from isolated supervised learning, FGL, and federated variants of centralized GFM paradigms.

Policy optimization (PO) is a cornerstone of modern reinforcement learning (RL), with diverse applications spanning robotics, healthcare, and large language model training. The increasing deployment of PO in sensitive domains, however, raises significant privacy concerns. In this paper, we initiate a theoretical study of differentially private policy optimization, focusing explicitly on its sample complexity. We first formalize an appropriate definition of differential privacy (DP) tailored to PO, addressing the inherent challenges arising from on-policy learning dynamics and the subtlety involved in defining the unit of privacy. We then systematically analyze the sample complexity of widely-used PO algorithms, including policy gradient (PG), natural policy gradient (NPG) and more, under DP constraints and various settings, via a unified framework. Our theoretical results demonstrate that privacy costs can often manifest as lower-order terms in the sample complexity, while also highlighting subtle yet important observations in private PO settings. These offer valuable practical insights for privacy-preserving PO algorithms.

This paper presents a multimodal framework that attempts to unify visual understanding and generation within a shared discrete semantic representation. At its core is the Text-Aligned Tokenizer (TA-Tok), which converts images into discrete tokens using a text-aligned codebook projected from a large language model's (LLM) vocabulary. By integrating vision and text into a unified space with an expanded vocabulary, our multimodal LLM, **Tar**, enables cross-modal input and output through a shared interface, without the need for modality-specific designs. Additionally, we propose scale-adaptive encoding and decoding to balance efficiency and visual detail, along with a generative de-tokenizer to produce high-fidelity visual outputs. To address diverse decoding needs, we utilize two complementary de-tokenizers: a fast autoregressive model and a diffusion-based model. To enhance modality fusion, we investigate advanced pre-training tasks, demonstrating improvements in both visual understanding and generation. Experiments across benchmarks show that **Tar** matches or surpasses existing multimodal LLM methods, achieving faster convergence and greater training efficiency. All code, models, and data will be made publicly available.

Local search is a powerful clustering technique that provides high-quality solutions with theoretical guarantees. With distance-based sampling strategies, local search methods can achieve constant approximations for clustering with linear running time in data size. Despite their effectiveness, existing algorithms still face scalability issues as they require scanning the entire dataset for iterative center swaps. This typically leads to an O(ndk) running time, where n is the data size, d is the dimension, k is the number of clusters. To further improve the efficiency of local search algorithms, we propose new methods based on adaptive sampling and bandit strategies. Specifically, adaptive sampling can well approximate the distance-based sampling distribution without maintaining pairwise distances between data points and the centers, enabling fast and accurate sampling in sublinear time after an $\tilde{O}(nd)$ time preprocessing step. The bandit strategy models the best swap pair selection as a bandit problem, where a grouping strategy is proposed for fast identification of the optimal swap pair. With these techniques, our proposed algorithm can achieve constant approximation in expected running time $\tilde{O}(nd + k^4)$ under mild assumptions on optimal clusters and swap pair distributions. Our approach also extends naturally to the k-median objective, achieving constant approximation in expected running time $\tilde{O}(nd + \sqrt{n}k^3)$ without distributional assumptions. Empirical results demonstrate that our algorithm achieves up to 1000× speedup over existing local search methods on datasets with 100 million points, while delivering comparable clustering quality. Compared to coreset-based approaches, it also provides up to 80× speedup and consistently yields better clustering results.

We introduce ExRec, a general framework for personalized exercise recommendation with semantically-grounded knowledge tracing. Our method builds on the observation that existing exercise recommendation approaches simulate student performance via knowledge tracing (KT) but they often overlook two key aspects: (a) the semantic content of questions and (b) the sequential, structured progression of student learning. To address this, our ExRec presents an end-to-end pipeline, from annotating the KCs of questions and learning their semantic representations to training KT models and optimizing several reinforcement learning (RL) methods. Moreover, we improve standard Q-learning-based continuous RL methods via a tailored model-based value estimation (MVE) approach that directly leverages the components of KT model in estimating cumulative knowledge improvement. We validate the effectiveness of our ExRec using various RL methods across four real-world tasks with different educational goals in online math learning. We further show that ExRec generalizes robustly to new, unseen questions and that it produces interpretable student learning trajectories. Together, our findings highlight the promise of KT-guided RL for effective personalization in education.

Transformers have demonstrated exceptional performance across a wide range of domains. While their ability to perform reinforcement learning in-context has been established both theoretically and empirically, their behavior in non-stationary environments remains less understood. In this study, we address this gap by showing that transformers can achieve nearly optimal dynamic regret bounds in non-stationary settings. We prove that transformers are capable of approximating strategies used to handle non-stationary environment, and can learn the approximator in the in-context learning setup. Our experiments further show that transformers can match or even outperform existing expert algorithms in such environments.

Sperm whales communicate in short sequences of clicks known as codas. We present WhAM (Whale Acoustics Model), the first transformer-based model capable of generating synthetic sperm whale codas from any audio prompt. WhAM is built by finetuning VampNet, a masked acoustic token model pretrained on musical audio, using 10k coda recordings collected over the past two decades. Through iterative masked token prediction, WhAM generates high-fidelity synthetic codas that preserve key acoustic features of the source recordings. We evaluate WhAM's synthetic codas using Fréchet Audio Distance and through perceptual studies with expert marine biologists. On downstream tasks including rhythm, social unit, and vowel classification, WhAM's learned representations achieve strong performance, despite being trained for generation rather than classification. Our code is available at https://github.com/Project-CETI/wham

We present 4KAgent, a unified agentic super-resolution generalist system designed to universally upscale any image to 4K resolution (and even higher, if applied iteratively). Our system can transform images from extremely low resolutions with severe degradations, for example, highly distorted inputs at $256\times 256$, into crystal-clear, photorealistic 4K outputs. 4KAgent comprises three core components: (1) Profiling, a module that customizes the 4KAgent pipeline based on bespoke use cases; (2) A Perception Agent, which leverages vision-language models alongside image quality assessment experts to analyze the input image and make a tailored restoration plan; and (3) A Restoration Agent, which executes the plan, following a recursive execution-reflection paradigm, guided by a quality-driven mixture-of-expert policy to select the optimal output for each step. Additionally, 4KAgent embeds a specialized face restoration pipeline, significantly enhancing facial details in portrait and selfie photos. We rigorously evaluate our 4KAgent across 11 distinct task categories encompassing a total of 26 diverse benchmarks, setting new state-of-the-art on a broad spectrum of imaging domains. Our evaluations cover natural images, portrait photos, AI-generated content, satellite imagery, fluorescence microscopy, and medical imaging like fundoscopy, ultrasound, and X-ray, demonstrating superior performance in terms of both perceptual (e.g., NIQE, MUSIQ) and fidelity (e.g., PSNR) metrics. By establishing a novel agentic paradigm for low-level vision tasks, we aim to catalyze broader interest and innovation within vision-centric autonomous agents across diverse research communities. We release all the code, models, and results at: https://4kagent.github.io.

We introduce a new approach to *agent programming*, the development of LLM-based agents. Current approaches to agent programming often entangle two aspects of agent design: the core workflow logic and the inference-time strategy (e.g., tree search). We introduce *probabilistic angelic nondeterminism* (PAN), a programming model that disentangles these two concerns, allowing the programmer to describe the agent workflow and independently experiment with different inference-time strategies by simply changing a few inputs. We provide an implementation of PAN in Python as the EnCompass framework, which uses a Python decorator to compile agent workflow programs into a search space. We present three case studies that demonstrate how the framework lets the programmer quickly improve the reliability of an agent and easily switch between different inference-time strategies, all with little additional coding.

The field of Fake Image Detection and Localization (FIDL) is highly fragmented, encompassing four domains: deepfake detection (Deepfake), image manipulation detection and localization (IMDL), artificial intelligence-generated image detection (AIGC), and document image manipulation localization (Doc). Although individual benchmarks exist in some domains, a unified benchmark for all domains in FIDL remains blank. The absence of a unified benchmark results in significant domain silos, where each domain independently constructs its datasets, models, and evaluation protocols without interoperability, preventing cross-domain comparisons and hindering the development of the entire FIDL field. To close the domain silo barrier, we propose ForensicHub, the first unified benchmark \& codebase for all-domain fake image detection and localization. Considering drastic variations on dataset, model, and evaluation configurations across all domains, as well as the scarcity of open-sourced baseline models and the lack of individual benchmarks in some domains, ForensicHub: i) proposes a modular and configuration-driven architecture that decomposes forensic pipelines into interchangeable components across datasets, transforms, models, and evaluators, allowing flexible composition across all domains; ii) fully implements 10 baseline models (3 of which are reproduced from scratch), 6 backbones, 2 new benchmarks for AIGC and Doc, and integrates 2 existing benchmarks of DeepfakeBench and IMDLBenCo through an adapter-based design; iii) establishes an image forensic fusion protocol evaluation mechanism that supports unified training and testing of diverse forensic models across tasks; iv) conducts indepth analysis based on the ForensicHub, offering 8 key actionable insights into FIDL model architecture, dataset characteristics, and evaluation standards. Specifically, ForensicHub includes 4 forensic tasks, 23 datasets, 42 baseline models, 6 backbones, 11 GPU-accelerated pixel- and image-level evaluation metrics, and realizes 16 kinds of cross-domain evaluations. ForensicHub represents a significant leap forward in breaking the domain silos in the FIDL field and inspiring future breakthroughs. Code is available at: https://github.com/scu-zjz/ForensicHub.

Part of the success of diffusion models stems from their ability to perform iterative refinement, i.e., repeatedly correcting outputs during generation. However, modern masked discrete diffusion lacks this capability: when a token is generated, it cannot be updated again, even when it introduces an error. Here, we address this limitation by introducing the remasking diffusion model (ReMDM) sampler, a method that can be applied to pretrained masked diffusion models in a principled way and that is derived from a discrete diffusion model with a custom remasking backward process. Most interestingly, ReMDM endows discrete diffusion with a form of inference-time compute scaling. By increasing the number of sampling steps, ReMDM generates natural language outputs that approach the quality of autoregressive models, whereas when the computation budget is limited, ReMDM better maintains quality. ReMDM also improves sample quality of masked diffusion models for discretized images, and in scientific domains such as molecule design, ReMDM facilitates diffusion guidance and pushes the Pareto frontier of controllability relative to classical masking and uniform noise diffusion. When applied to large pretrained diffusion language models, ReMDM boosts the model’s performance on downstream tasks requiring factual knowledge grasp and reasoning ability.

Stochastic gradient optimization is the dominant learning paradigm for a variety of scenarios, from classical supervised learning to modern self-supervised learning. We consider stochastic gradient algorithms for learning problems whose objectives rely on unknown nuisance parameters, and establish non-asymptotic convergence guarantees. Our results show that, while the presence of a nuisance can alter the optimum and upset the optimization trajectory, the classical stochastic gradient algorithm may still converge under appropriate conditions, such as Neyman orthogonality. Moreover, even when Neyman orthogonality is not satisfied, we also show that an algorithm variant with approximately orthogonalized updates (with an approximately orthogonalized gradient oracle) may achieve similar convergence rates. Examples from orthogonal statistical learning/double machine learning and causal inference are discussed.

In financial applications, reinforcement learning (RL) agents are commonly trained on historical data, where their actions do not influence prices. However, during deployment, these agents trade in live markets where their own transactions can shift asset prices, a phenomenon known as market impact. This mismatch between training and deployment environments can significantly degrade performance. Traditional robust RL approaches address this model misspecification by optimizing the worst-case performance over a set of uncertainties, but typically rely on symmetric structures that fail to capture the directional nature of market impact. To address this issue, we develop a novel class of elliptic uncertainty sets. We establish both implicit and explicit closed-form solutions for the worst-case uncertainty under these sets, enabling efficient and tractable robust policy evaluation. Experiments on single-asset and multi-asset trading tasks demonstrate that our method achieves superior Sharpe ratio and remains robust under increasing trade volumes, offering a more faithful and scalable approach to RL in financial markets.

The real world is messy and unstructured. Uncovering critical information often requires active, goal-driven exploration. It remains to be seen whether Vision-Language Models (VLMs), which recently emerged as a popular zero-shot tool in many difficult tasks, can operate effectively in such conditions. In this paper, we answer this question by introducing FlySearch, a 3D, outdoor, photorealistic environment for searching and navigating to objects in complex scenes. We define three sets of scenarios with varying difficulty and observe that state-of-the-art VLMs cannot reliably solve even the simplest exploration tasks, with the gap to human performance increasing as the tasks get harder. We identify a set of central causes, ranging from vision hallucination, through context misunderstanding, to task planning failures, and we show that some of them can be addressed by finetuning. We publicly release the benchmark, scenarios, and the underlying codebase.

Audio source separation is fundamental for machines to understand complex acoustic environments and underpins numerous audio applications. Current supervised deep learning approaches, while powerful, are limited by the need for extensive, task-specific labeled data and struggle to generalize to the immense variability and open-set nature of real-world acoustic scenes. Inspired by the success of generative foundation models, we investigate whether pre-trained text-guided audio diffusion models can overcome these limitations. We make a surprising discovery: zero-shot source separation can be achieved purely through a pre-trained text-guided audio diffusion model under the right configuration. Our method, named ZeroSep, works by inverting the mixed audio into the diffusion model's latent space and then using text conditioning to guide the denoising process to recover individual sources. Without any task-specific training or fine-tuning, ZeroSep repurposes the generative diffusion model for a discriminative separation task and inherently supports open-set scenarios through its rich textual priors. ZeroSep is compatible with a variety of pre-trained text-guided audio diffusion backbones and delivers strong separation performance on multiple separation benchmarks, surpassing even supervised methods.