NeurIPS 2025 论文列表

Surrogate regret bounds, also known as excess risk bounds, bridge the gap between the convergence rates of surrogate and target losses. The regret transfer is lossless if the surrogate regret bound is linear. While convex smooth surrogate losses are appealing in particular due to the efficient estimation and optimization, the existence of a trade-off between the loss smoothness and linear regret bound has been believed in the community. Under this scenario, the better optimization and estimation properties of convex smooth surrogate losses may inevitably deteriorate after undergoing the regret transfer onto a target loss. We overcome this dilemma for arbitrary discrete target losses by constructing a convex smooth surrogate loss, which entails a linear surrogate regret bound composed with a tailored prediction link. The construction is based on Fenchel--Young losses generated by the *convolutional negentropy*, which are equivalent to the infimal convolution of a generalized negentropy and the target Bayes risk. Consequently, the infimal convolution enables us to derive a smooth loss while maintaining the surrogate regret bound linear. We additionally benefit from the infimal convolution to have a consistent estimator of the underlying class probability. Our results are overall a novel demonstration of how convex analysis penetrates into optimization and statistical efficiency in risk minimization.

Recent advances in diffusion models have dramatically improved image fidelity and diversity. However, aligning these models with nuanced human preferences -such as aesthetics, engagement, and subjective appeal remains a key challenge due to the scarcity of large-scale human annotations. Collecting such data is both expensive and limited in diversity. To address this, we leverage the reasoning capabilities of vision-language models (VLMs) and propose Self-Play Reward Optimization (SPRO), a scalable, annotation-free training framework based on multimodal self-play. SPRO learns to jointly align prompt and image generation with human preferences by iteratively generating, evaluating, and learning to refine outputs using synthetic reward signals such as aesthetics and human engagement. This self-improving feedback loop eliminates the need for external supervision. SPRO comprises three stages: (1) SPRO-Prompt, which trains a Guider-VLM via self-play to generate diverse, high-reward prompts targeting objectives such as PickScore (user preference), LAION-Aesthetics, and EngageNet (engagement); (2) SPRO-Image, which fine-tunes the diffusion model on high-reward images derived from these prompts; and (3) SPRO-Multimodal (SPRO-MM), which integrates both components for full end-to-end alignment. Without relying on human-labeled data, SPRO achieves an average 30\% improvement across preference objectives. Moreover, its generated prompts generalize across both open- and closed-source diffusion models. Through iterative self-play, SPRO discovers prompting strategies rarely authored by humans such as emphasizing visual harmony for aesthetics or leveraging shadow-based cues for engagement. SPRO offers a scalable path toward aligning generative models with complex subjective human values.

While machine learning models become more capable in discriminative tasks at scale, their ability to overcome biases introduced by training data has come under increasing scrutiny. Previous results suggest that there are two extremes of parameterization with very different behaviors: the population (underparameterized) setting where loss weighting is optimal and the separable overparameterized setting where loss weighting is ineffective at ensuring equal performance across classes. This work explores the regime of last layer retraining (LLR) in which the unseen limited (retraining) data is frequently inseparable and the model proportionately sized, falling between the two aforementioned extremes. We show, in theory and practice, that loss weighting is still effective in this regime, but that these weights _must_ take into account the relative overparameterization of the model.

We introduce a class of neural networks named PLEIADES (PoLynomial Expansion In Adaptive Distributed Event-based Systems), which contains temporal convolution kernels generated from orthogonal polynomial basis functions. We focus on interfacing these networks with event-based data to perform online spatiotemporal classification and detection with low latency. By virtue of using structured temporal kernels and event-based data, we have the freedom to vary the sample rate of the data along with the discretization step-size of the network without additional finetuning. We experimented with three event-based benchmarks and obtained state-of-the-art results on all three by large margins with significantly smaller memory and compute costs. We achieved: 1) 99.59% accuracy with 192K parameters on the DVS128 hand gesture recognition dataset and 100\% with a small additional output filter; 2) 99.58% test accuracy with 277K parameters on the AIS 2024 eye tracking challenge; and 3) 0.556 mAP with 576k parameters on the PROPHESEE 1 Megapixel Automotive Detection Dataset.

Agricultural parcels serve as basic units for conducting agricultural practices and applications, which is vital for land ownership registration, food security assessment, soil erosion monitoring, etc. However, existing agriculture parcel extraction studies only focus on mid-resolution mapping or regular plain farmlands while lacking representation of complex terraced terrains due to the demands of precision agriculture. In this paper, we introduce a more fine-grained terraced parcel dataset named GTPBD (Global Terraced Parcel and Boundary Dataset), which is the first fine-grained dataset covering major worldwide terraced regions with more than 200,000 complex terraced parcels with manually annotation. GTPBD comprises 47,537 high-resolution images with three-level labels, including pixel-level boundary labels, mask labels, and parcel labels. It covers seven major geographic zones in China and transcontinental climatic regions around the world. Compared to the existing datasets, the GTPBD dataset brings considerable challenges due to the: (1) terrain diversity; (2) complex and irregular parcel objects; and (3) multiple domain styles. Our proposed GTPBD dataset is suitable for four different tasks, including semantic segmentation, edge detection, terraced parcel extraction and unsupervised domain adaptation (UDA) tasks. Accordingly, we benchmark the GTPBD dataset on eight semantic segmentation methods, four edge extraction methods, three parcel extraction methods and five UDA methods, along with a multi-dimensional evaluation framework integrating pixel-level and object-level metrics. GTPBD fills a critical gap in terraced remote sensing research, providing a basic infrastructure for fine-grained agricultural terrain analysis and cross-scenario knowledge transfer. The code and data are available at https://github.com/Z-ZW-WXQ/GTPBD/.

SDForger is a flexible and efficient framework for generating high-quality multivariate time series using LLMs. Leveraging a compact data representation, SDForger provides synthetic time series generation from a few samples and low-computation fine-tuning of any autoregressive LLM. Specifically, the framework transforms univariate and multivariate signals into tabular embeddings, which are then encoded into text and used to fine-tune the LLM. At inference, new textual embeddings are sampled and decoded into synthetic time series that retain the original data's statistical properties and temporal dynamics. Across a diverse range of datasets, SDForger outperforms existing generative models in many scenarios, both in similarity-based evaluations and downstream forecasting tasks. By enabling textual conditioning in the generation process, SDForger paves the way for multimodal modeling and the streamlined integration of time series with textual information. The model is open-sourced at https://github.com/IBM/fms-dgt/tree/main/fms_dgt/public/databuilders/time_series.

Transformers have revolutionized the field of machine learning. In particular, they can be used to solve complex algorithmic problems, including graph-based tasks. In such algorithmic tasks a key question is what is the minimal size of a transformer that can implement the task. Recent work has begun to explore this problem for graph-based tasks, showing that for sub-linear embedding dimension (i.e., model width) logarithmic depth suffices. However, an open question, which we address here, is what happens if width is allowed to grow linearly, while depth is kept fixed. Here we analyze this setting, and provide the surprising result that with linear width, constant depth suffices for solving a host of graph-based problems. This suggests that a moderate increase in width can allow much shallower models, which are advantageous in terms of inference and train time. For other problems, we show that quadratic width is required. Our results demonstrate the complex and intriguing landscape of transformer implementations of graph-based algorithms. We empirically investigate these trade-offs between the relative powers of depth and width and find tasks where wider models have the same accuracy as deep models, while having much faster train and inference time due to parallelizable hardware.

Compositional training has been the de-facto paradigm in existing Multimodal Large Language Models (MLLMs), where pre-trained vision encoders are connected with pre-trained LLMs through continuous multimodal pre-training. However, the multimodal scaling property of this paradigm remains difficult to explore due to the separated training. In this paper, we focus on the native training of MLLMs in an end-to-end manner and systematically study its design space and scaling property under a practical setting, i.e., data constraint. Through careful study of various choices in MLLM, we obtain the optimal meta-architecture that best balances performance and training cost. After that, we further explore the scaling properties of the native MLLM and indicate the positively correlated scaling relationship between visual encoders and LLMs. Based on these findings, we propose a native MLLM called NaViL, combined with a simple and cost-effective recipe. Experimental results on 14 multimodal benchmarks confirm the competitive performance of NaViL against existing MLLMs. Besides that, our findings and results provide in-depth insights for the future study of native MLLMs.

How should we evaluate the quality of generative models? Many existing metrics focus on a model's producibility, i.e. the quality and breadth of outputs it can generate. However, the actual value from using a generative model stems not just from what it can produce but whether a user with a specific goal can produce an output that satisfies that goal. We refer to this property as steerability. In this paper, we first introduce a mathematical decomposition for quantifying steerability independently from producibility. Steerability is more challenging to evaluate than producibility because it requires knowing a user's goals. We address this issue by creating a benchmark task that relies on one key idea: sample an output from a generative model and ask users to reproduce it. We implement this benchmark in user studies of text-to-image and large language models. Despite the ability of these models to produce high-quality outputs, they all perform poorly on steerability. These results suggest that we need to focus on improving the steerability of generative models. We show such improvements are indeed possible: simple image-based steering mechanisms achieve more than 2x improvement on this benchmark.

The Median-of-Means (MoM) is a robust estimator widely used in machine learning that is known to be (minimax) optimal in scenarios where samples are i.i.d. In more grave scenarios, samples are contaminated by an adversary that can inspect and modify the data. Previous work has theoretically shown the suitability of the MoM estimator in certain contaminated settings. However, the (minimax) optimality of MoM and its limitations under adversarial contamination remain unknown beyond the Gaussian case. In this paper, we present upper and lower bounds for the error of MoM under adversarial contamination for multiple classes of distributions. In particular, we show that MoM is (minimax) optimal in the class of distributions with finite variance, as well as in the class of distributions with infinite variance and finite absolute $(1+r)$-th moment. We also provide lower bounds for MoM's error that match the order of the presented upper bounds, and show that MoM is sub-optimal for light-tailed distributions.

Large Language Models (LLMs) are increasingly used to simulate human users in interactive settings such as therapy, education, and social role-play. While these simulations enable scalable training and evaluation of AI agents, off-the-shelf LLMs often drift from their assigned personas, contradict earlier statements, or abandon role-appropriate behavior. We introduce a unified framework for evaluating and improving persona consistency in LLM-generated dialogue. We define three automatic metrics—prompt-to-line consistency, line-to-line consistency, and Q\&A consistency—that capture different types of persona drift and validate each against human annotations. Using these metrics as reward signals, we apply multi-turn reinforcement learning to fine-tune LLMs for three user roles: a patient, a student, and a social chat partner. Our method reduces inconsistency by over 55%, resulting in more coherent, faithful, and trustworthy simulated users.

In this paper, we study the behavior of the Upper Confidence Bound-Variance (UCB-V) algorithm for the Multi-Armed Bandit (MAB) problems, a variant of the canonical Upper Confidence Bound (UCB) algorithm that incorporates variance estimates into its decision-making process. More precisely, we provide an asymptotic characterization of the arm-pulling rates for UCB-V, extending recent results for the canonical UCB in Kalvit and Zeevi (2021) and Khamaru and Zhang (2024). In an interesting contrast to the canonical UCB, our analysis reveals that the behavior of UCB-V can exhibit instability, meaning that the arm-pulling rates may not always be asymptotically deterministic. Besides the asymptotic characterization, we also provide non-asymptotic bounds for the arm-pulling rates in the high probability regime, offering insights into the regret analysis. As an application of this high probability result, we establish that UCB-V can achieve a more refined regret bound, previously unknown even for more complicate and advanced variance-aware online decision-making algorithms. A matching regret lower bound is also established, demonstrating the optimality of our result.

Recent advances in reinforcement learning (RL) have strengthened the reasoning capabilities of vision-language models (VLMs). However, enhancing policy exploration to better scale test-time compute remains largely underexplored. In addition, VLMs continue to struggle with imperfect visual perception, which in turn affects the subsequent reasoning process. To this end, we propose **NoisyRollout**, a simple yet effective data augmentation method that mixes trajectories from both clean and moderately distorted images during RL training. By injecting targeted diversity in visual perception and the resulting reasoning patterns, NoisyRollout promotes better policy exploration through vision-oriented inductive biases, ultimately leading to more robust reasoning behaviors. We further adopt a noise annealing schedule that gradually reduces distortion strength over training, leveraging noisy signals early on while ensuring training stability in later stages. Crucially, our method is easy-to-adopt—**requiring no additional training cost and no modifications to the RL objective**. Extensive experiments on $2$ distinct training datasets demonstrate that NoisyRollout achieves state-of-the-art performance among open-source RL-tuned models across $5$ out-of-domain reasoning and perception benchmarks. Furthermore, we validate the effectiveness of NoisyRollout across model sizes ($7$B and $32$B) and data scales (from $1$K to $6$K), highlighting its generalizability and scalability.

Single-positive multi-label learning (SPMLL) is a weakly supervised multi-label learning problem, where each training example is annotated with only one positive label. Existing SPMLL methods typically assign pseudo-labels to unannotated labels with the assumption that prior probabilities of all classes are identical. However, the class-prior of each category may differ significantly in real-world scenarios, which makes the predictive model not perform as well as expected due to the unrealistic assumption on real-world application. To alleviate this issue, a novel framework named Crisp, i.e., Class-pRiors Induced Single-Positive multi-label learning, is proposed. Specifically, a class-priors estimator is introduced, which can estimate the class-priors that are theoretically guaranteed to converge to the ground-truth class-priors. In addition, based on the estimated class-priors, an unbiased risk estimator for classification is derived, and the corresponding risk minimizer can be guaranteed to approximately converge to the optimal risk minimizer on fully supervised data. Experimental results on ten MLL benchmark datasets demonstrate the effectiveness and superiority of our method over existing SPMLL approaches.

Large language models are quickly becoming the foundation for intelligent agents that are capable of using tools. However, training such agents is challenging because it requires human creation and annotation of a diverse set of tasks, tools, and evaluation criteria. In this paper, we propose the Self-Challenging Agent framework for training an agent on high-quality tasks that are generated by itself. The agent first plays the role of challenger and generates a task after interacting with the given tools. The tasks take the form of a novel general class of problems termed Code-as-Task, which are defined by an instruction, a verification function and solution and failure cases which serve as tests, allowing to filter only for high-quality tasks. The agent then takes an executor role and trains on those tasks with reinforcement learning using the evaluation feedback as a reward. We show our method improves the performance of Llama-3.1-8B-Instruct on two existing multi-turn tool-use agent benchmarks, M$^3$ToolEval and TauBench, with a two-fold average success rate increase, despite using only self-generated training data.

Efficient vision transformer remains a bottleneck for high-resolution images and long-video related real-world applications. Generalized Spatial Propagation Network (GSPN) \cite{wang2025parallel} addresses this by replacing quadratic self-attention with a line-scan propagation scheme, bringing the cost close to linear in the number of rows or columns, while retaining accuracy. Despite this advancement, the existing GSPN implementation still suffers from (i) heavy overhead due to repeatedly launching GPU kernels, (ii) excessive data transfers from global GPU memory, and (iii) redundant computations caused by maintaining separate propagation weights for each channel. We introduce GSPN-2, a joint algorithm–system redesign. In particular, we eliminate thousands of micro-launches from the previous implementation into one single 2D kernel, explicitly pin one warp to each channel slice, and stage the previous column's activations in shared memory. On the model side, we introduce a set of channel-shared propagation weights that replace per-channel matrices, trimming parameters, and align naturally with the affinity map used in transformer attention. Experiments demonstrate GSPN-2's effectiveness across image classification and text-to-image synthesis tasks, matching transformer-level accuracy with significantly lower computational cost. GSPN-2 establishes a new efficiency frontier for modeling global spatial context in vision applications through its unique combination of structured matrix transformations and GPU-optimized implementation.

Despite promising performance on open-source large vision-language models (LVLMs), transfer-based targeted attacks often fail against closed-source commercial LVLMs. Analyzing failed adversarial perturbations reveals that the learned perturbations typically originate from a uniform distribution and lack clear semantic details, resulting in unintended responses. This critical absence of semantic information leads commercial black-box LVLMs to either ignore the perturbation entirely or misinterpret its embedded semantics, thereby causing the attack to fail. To overcome these issues, we propose to refine semantic clarity by encoding explicit semantic details within local regions, thus ensuring the capture of finer-grained features and inter-model transferability, and by concentrating modifications on semantically rich areas rather than applying them uniformly. To achieve this, we propose *a simple yet highly effective baseline*: at each optimization step, the adversarial image is cropped randomly by a controlled aspect ratio and scale, resized, and then aligned with the target image in the embedding space. While the naive source-target matching method has been utilized before in the literature, we are the first to provide a tight analysis, which establishes a close connection between perturbation optimization and semantics. Experimental results confirm our hypothesis. Our adversarial examples crafted with local-aggregated perturbations focused on crucial regions exhibit surprisingly good transferability to commercial LVLMs, including GPT-4.5, GPT-4o, Gemini-2.0-flash, Claude-3.5/3.7-sonnet, and even reasoning models like o1, Claude-3.7-thinking and Gemini-2.0-flash-thinking. Our approach achieves success rates exceeding 90\% on GPT-4.5, 4o, and o1, significantly outperforming all prior state-of-the-art attack methods with lower $\ell_1/\ell_2$ perturbations. Our optimized adversarial examples under different configurations are available at https://huggingface.co/datasets/MBZUAI-LLM/M-Attack_AdvSamples and our training code at https://github.com/VILA-Lab/M-Attack.

In the zero-shot policy transfer setting in reinforcement learning, the goal is to train an agent on a fixed set of training environments so that it can generalise to similar, but unseen, testing environments. Previous work has shown that policy distillation after training can sometimes produce a policy that outperforms the original in the testing environments. However, it is not yet entirely clear why that is, or what data should be used to distil the policy. In this paper, we prove, under certain assumptions, a generalisation bound for policy distillation after training. The theory provides two practical insights: for improved generalisation, you should 1) train an ensemble of distilled policies, and 2) distil it on as much data from the training environments as possible. We empirically verify that these insights hold in more general settings, when the assumptions required for the theory no longer hold. Finally, we demonstrate that an ensemble of policies distilled on a diverse dataset can generalise significantly better than the original agent.

SO(3)-equivariant networks are the dominant models for machine learning interatomic potentials (MLIPs). The key operation of such networks is the Clebsch-Gordan (CG) tensor product, which is computationally expensive. To accelerate the computation, we develop tensor decomposition networks (TDNs) as a class of approximately equivariant networks whose CG tensor products are replaced by low-rank tensor decompositions, such as the CANDECOMP/PARAFAC (CP) decomposition. With the CP decomposition, we prove (i) a uniform bound on the induced error of SO(3)-equivariance, and (ii) the universality of approximating any equivariant bilinear map. To further reduce the number of parameters, we propose path-weight sharing that ties all multiplicity-space weights across the O(L^3) CG paths into a single path without compromising equivariance, where L is the maximum angular degree. The resulting layer acts as a plug-and-play replacement for tensor products in existing networks, and the computational complexity of tensor products is reduced from O(L^6) to O(L^4). We evaluate TDNs on PubChemQCR, a newly curated molecular relaxation dataset containing 105 million DFT-calculated snapshots. We also use existing datasets, including OC20, and OC22. Results show that TDNs achieve competitive performance with dramatic speedup in computations. Our code is publicly available as part of the AIRS library (https://github.com/divelab/AIRS/tree/main/OpenMol/TDN).