NeurIPS 2025 论文列表

Charts are high-density visualization carriers for complex data, serving as a crucial medium for information extraction and analysis. Automated chart understanding poses significant challenges to existing multimodal large language models (MLLMs) due to the need for precise and complex visual reasoning. Current step-by-step reasoning models primarily focus on text-based logical reasoning for chart understanding. However, they struggle to refine or correct their reasoning when errors stem from flawed visual understanding, as they lack the ability to leverage multimodal interaction for deeper comprehension. Inspired by human cognitive behavior, we propose ChartSketcher, a multimodal feedback-driven step-by-step reasoning method designed to address these limitations. ChartSketcher is a chart understanding model that employs Sketch-CoT, enabling MLLMs to annotate intermediate reasoning steps directly onto charts using a programmatic sketching library, iteratively feeding these visual annotations back into the reasoning process. This mechanism enables the model to visually ground its reasoning and refine its understanding over multiple steps. We employ a two-stage training strategy: a cold start phase to learn sketch-based reasoning patterns, followed by off-policy reinforcement learning to enhance reflection and generalization. Experiments demonstrate that ChartSketcher achieves promising performance on chart understanding benchmarks and general vision tasks, providing an interactive and interpretable approach to chart comprehension.

*Quantification learning* is the task of predicting the label distribution of a set of instances. We study this problem in the context of graph-structured data, where the instances are vertices. Previously, this problem has only been addressed via node clustering methods. In this paper, we extend the popular *Adjusted Classify & Count* (ACC) method to graphs. We show that the prior probability shift assumption upon which ACC relies is often not applicable to graph quantification problems. To address this issue, we propose structural importance sampling (SIS), the first graph quantification method that is applicable under (structural) covariate shift. Additionally, we propose Neighborhood-aware ACC, which improves quantification in the presence of non-homophilic edges. We show the effectiveness of our techniques on multiple graph quantification tasks.

Test-time scaling (TTS) enhances the performance of large language models (LLMs) by allocating additional compute resources during inference. However, existing research primarily investigates TTS in single-stage tasks; while many real-world problems are multi-stage complex tasks, composed of a sequence of heterogeneous subtasks with each subtask requires LLM of specific capability. Therefore, we study a novel problem: the test-time compute-optimal scaling in multi-stage complex tasks, aiming to select suitable models and allocate budgets per subtask to maximize overall performance. TTS in multi-stage tasks introduces two fundamental challenges: (i) The combinatorial search space of model and budget allocations, combined with the high cost of inference, makes brute-force search impractical. (ii) The optimal model and budget allocations across subtasks are interdependent, increasing the complexity of the compute-optimal search. To address this gap, we conduct extensive pilot experiments on four tasks across six datasets, deriving three empirical insights characterizing the behavior of LLMs in multi-stage complex tasks. Informed by these insights, we propose AgentTTS, an LLM-agent-based framework that autonomously searches for compute-optimal allocations through iterative feedback-driven interactions with the execution environment. Experimental results demonstrate that AgentTTS significantly outperforms traditional and other LLM-based baselines in search efficiency, and shows improved robustness to varying training set sizes and enhanced interpretability.

We propose a novel online Gaussian process (GP) model that is capable of capturing long-term memory in sequential data in an online learning setting. Our model, Online HiPPO Sparse Variational Gaussian Process (OHSVGP), leverages the HiPPO (High-order Polynomial Projection Operators) framework, which is popularized in the RNN domain due to its long-range memory modeling capabilities. We interpret the HiPPO time-varying orthogonal projections as inducing variables with time-dependent orthogonal polynomial basis functions, which allows the SVGP inducing points to memorize the process history. We show that the HiPPO framework fits naturally into the interdomain GP framework and demonstrate that the kernel matrices can also be updated online in a recurrence form based on the ODE evolution of HiPPO. We evaluate OHSVGP with online prediction for 1D time series, continual learning in discriminative GP model for data with multidimensional inputs, and deep generative modeling with sparse Gaussian process variational autoencoder, showing that it outperforms existing online GP methods in terms of predictive performance, long-term memory preservation, and computational efficiency.

Advances in image generation technologies have raised growing concerns about their potential misuse, particularly in producing misinformation and deepfakes. This creates an urgent demand for effective methods to detect AI-generated images (AIGIs). While progress has been made, achieving reliable performance across diverse generative models and scenarios remains challenging due to the absence of source-invariant features and the limited generalization of existing approaches. In this study, we investigate the potential of using image entropy as a discriminative cue for AIGI detection and propose Multi-granularity Local Entropy Patterns (MLEP), a set of feature maps computed based on Shannon entropy from shuffled small patches at multiple image scales. MLEP effectively captures pixel dependencies across scales and dimensions while disrupting semantic content, thereby reducing potential content bias. Based on MLEP, we can easily build a robust CNN-based classifier capable of detecting AIGIs with enhanced reliability. Extensive experiments in an open-world setting, involving images synthesized by 32 distinct generative models, demonstrate that our approach achieves substantial improvements over state-of-the-art methods in both accuracy and generalization.

Robustness to modeling errors and uncertainties remains a central challenge in reinforcement learning (RL). In this work, we address this challenge by leveraging diffusion models to train robust RL policies. Diffusion models have recently gained popularity in model-based RL due to their ability to generate full trajectories "all at once", mitigating the compounding errors typical of step-by-step transition models. Moreover, they can be conditioned to sample from specific distributions, making them highly flexible. We leverage conditional sampling to learn policies that are robust to uncertainty in environment dynamics. Building on the established connection between Conditional Value at Risk (CVaR) optimization and robust RL, we introduce Adversarial Diffusion for Robust Reinforcement Learning (AD-RRL). AD-RRL guides the diffusion process to generate worst-case trajectories during training, effectively optimizing the CVaR of the cumulative return. Empirical results across standard benchmarks show that AD-RRL achieves superior robustness and performance compared to existing robust RL methods.

Brain-inspired spiking neural networks (SNNs) promise to be a low-power alternative to computationally intensive artificial neural networks (ANNs), although performance gaps persist. Recent studies have improved the performance of SNNs through knowledge distillation, but rely on large teacher models or introduce additional training overhead. In this paper, we show that SNNs can be naturally deconstructed into multiple submodels for efficient self-distillation. We treat each timestep instance of the SNN as a submodel and evaluate its output confidence, thus efficiently identifying the strong and the weak. Based on this strong and weak relationship, we propose two efficient self-distillation schemes: (1) Strong2Weak: During training, the stronger "teacher" guides the weaker "student", effectively improving overall performance. (2) Weak2Strong: The weak serve as the "teacher", distilling the strong in reverse with underlying dark knowledge, again yielding significant performance gains. For both distillation schemes, we offer flexible implementations such as ensemble, simultaneous, and cascade distillation. Experiments show that our method effectively improves the discriminability and overall performance of the SNN, while its adversarial robustness is also enhanced, benefiting from the stability brought by self-distillation. This ingeniously exploits the temporal properties of SNNs and provides insight into how to efficiently train high-performance SNNs.

Low-rank adaptation (LoRA) is a widely used method for parameter-efficient finetuning. However, existing LoRA variants lack mechanisms to explicitly disambiguate task-relevant information within the learned low-rank subspace, potentially limiting downstream performance. We propose Factorized Variational Autoencoder LoRA (FVAE-LoRA), which leverages a VAE to learn two distinct latent spaces. Our novel Evidence Lower Bound formulation explicitly promotes factorization between the latent spaces, dedicating one latent space to task-salient features and the other to residual information. Extensive experiments on text, audio, and image tasks demonstrate that FVAE-LoRA consistently outperforms standard LoRA. Moreover, spurious correlation evaluations confirm that FVAE-LoRA better isolates task-relevant signals, leading to improved robustness under distribution shifts. Our code is publicly available at: https://github.com/idiap/FVAE-LoRA

Effective human-AI interaction relies on AI's ability to accurately perceive and interpret human emotions. Current benchmarks for vision and vision-language models are severely limited, offering a narrow emotional spectrum that overlooks nuanced states (e.g., bitterness, intoxication) and fails to distinguish subtle differences between related feelings (e.g., shame vs. embarrassment). Existing datasets also often use uncontrolled imagery with occluded faces and lack demographic diversity, risking significant bias. To address these critical gaps, we introduce EmoNet Face, a comprehensive benchmark suite. EmoNet Face features: (1) A novel 40-category emotion taxonomy, meticulously derived from foundational research to capture finer details of human emotional experiences. (2) Three large-scale, AI-generated datasets (EmoNet HQ, Binary, and Big) with explicit, full-face expressions and controlled demographic balance across ethnicity, age, and gender. (3) Rigorous, multi-expert annotations for training and high-fidelity evaluation. (4) We build Empathic Insight Face, a model achieving human-expert-level performance on our benchmark. The publicly released EmoNet Face suite—taxonomy, datasets, and model—provides a robust foundation for developing and evaluating AI systems with a deeper understanding of human emotions.

Computing Nash equilibria of zero-sum games in classical and quantum settings is extensively studied. For general-sum games, computing Nash equilibria is PPAD-hard and the computing of a more general concept called correlated equilibria has been widely explored in game theory. In this paper, we initiate the study of quantum algorithms for computing $\varepsilon$-approximate correlated equilibria (CE) and coarse correlated equilibria (CCE) in multi-player normal-form games. Our approach utilizes quantum improvements to the multi-scale Multiplicative Weight Update (MWU) method for CE calculations, achieving a query complexity of $\tilde{O}(m\sqrt{n})$ for fixed $\varepsilon$. For CCE, we extend techniques from quantum algorithms for zero-sum games to multi-player settings, achieving query complexity $\tilde{O}(m\sqrt{n}/\varepsilon^{2.5})$. Both algorithms demonstrate a near-optimal scaling in the number of players $m$ and actions $n$, as confirmed by our quantum query lower bounds.

It is difficult to evaluate machine learning classifiers without large labeled datasets, which are often unavailable. In contrast, unlabeled data is plentiful, but not easily used for evaluation. Here, we introduce Semi-Supervised Model Evaluation (SSME), a method that uses both labeled and unlabeled data to evaluate machine learning classifiers. The key idea is to estimate the joint distribution of ground truth labels and classifier scores using a semi-supervised mixture model. The semi-supervised mixture model allows SSME to learn from three sources of information: unlabeled data, multiple classifiers, and probabilistic classifier scores. Once fit, the mixture model enables estimation of any metric that is a function of classifier scores and ground truth labels (e.g., accuracy or AUC). We derive theoretical bounds on the error of these estimates, showing that estimation error decreases with the number of classifiers and the amount of unlabeled data. We present experiments in four domains where obtaining large labeled datasets is often impractical: healthcare, content moderation, molecular property prediction, and text classification. Our results demonstrate that SSME estimates performance more accurately than do competing methods, reducing error by 5.1x relative to using labeled data alone and 2.4x relative to the next best method.

Decision-making across various fields, such as medicine, heavily relies on conditional average treatment effects (CATEs). Practitioners commonly make decisions by checking whether the estimated CATE is positive, even though the decision-making performance of modern CATE estimators is poorly understood from a theoretical perspective. In this paper, we study optimal decision-making based on two-stage CATE estimators (e.g., DR-learner), which are considered state-of-the-art and widely used in practice. We prove that, while such estimators may be optimal for estimating CATE, they can be suboptimal when used for decision-making. Intuitively, this occurs because such estimators prioritize CATE accuracy in regions far away from the decision boundary, which is ultimately irrelevant to decision-making. As a remedy, we propose a novel two-stage learning objective that retargets the CATE to balance CATE estimation error and decision performance. We then propose a neural method that optimizes an adaptively-smoothed approximation of our learning objective. Finally, we confirm the effectiveness of our method both empirically and theoretically. In sum, our work is the first to show how state-of-the-art CATE estimators can be adapted for optimal decision-making.

Video diffusion models substantially boost the productivity of artistic workflows with high-quality portrait video generative capacity. However, prevailing pipelines are primarily constrained to single-shot creation, while real-world applications urge for multiple shots with identity consistency and flexible content controllability. In this work, we propose EchoShot, a native and scalable multi-shot framework for portrait customization built upon a foundation video diffusion model. To start with, we propose shot-aware position embedding mechanisms within video diffusion transformer architecture to model inter-shot variations and establish intricate correspondence between multi-shot visual content and their textual descriptions. This simple yet effective design enables direct training on multi-shot video data without introducing additional computational overhead. To facilitate model training within multi-shot scenario, we construct PortraitGala, a large-scale and high-fidelity human-centric video dataset featuring cross-shot identity consistency and fine-grained captions such as facial attributes, outfits, and dynamic motions. To further enhance applicability, we extend EchoShot to perform reference image-based personalized multi-shot generation and long video synthesis with infinite shot counts. Extensive evaluations demonstrate that EchoShot achieves superior identity consistency as well as attribute-level controllability in multi-shot portrait video generation. Notably, the proposed framework demonstrates potential as a foundational paradigm for general multi-shot video modeling. Project page: https://johnneywang.github.io/EchoShot-webpage.

Differentially private (DP) machine learning often relies on the availability of public data for tasks like privacy-utility trade-off estimation, hyperparameter tuning, and pretraining. While public data assumptions may be reasonable in text and image data, they are less likely to hold for tabular data due to tabular data heterogeneity across domains. We propose leveraging powerful priors to address this limitation; specifically, we synthesize realistic tabular data directly from schema-level specifications -- such as variable names, types, and permissible ranges -- without ever accessing sensitive records. To that end, this work introduces the notion of ``surrogate'' public data -- datasets generated independently of sensitive data, which consume no privacy loss budget and are constructed solely from publicly available schema or metadata. Surrogate public data are intended to encode plausible statistical assumptions (informed by publicly available information) into a dataset with many downstream uses in private mechanisms. We automate the process of generating surrogate public data with large language models (LLMs); in particular, we propose two methods: direct record generation as CSV files, and automated structural causal model (SCM) construction for sampling records. Through extensive experiments, we demonstrate that surrogate public tabular data can effectively replace traditional public data when pretraining differentially private tabular classifiers. To a lesser extent, surrogate public data are also useful for hyperparameter tuning of DP synthetic data generators, and for estimating the privacy-utility tradeoff.

Reconstructing ocean surface nutrients from sparse observations is critical for understanding long-term biogeochemical cycles. Most prior work focuses on reconstructing atmospheric fields and treats the reconstruction problem as image inpainting, assuming smooth, single-scale dynamics. In contrast, nutrient transport follows advection–diffusion dynamics under nonstationary, multiscale ocean flow. This mismatch leads to instability, as small errors in unresolved eddies can propagate through time and distort nutrient predictions. To address this, we introduce NUTS, a two-scale reconstruction model that decouples large-scale transport and mesoscale variability. The homogenized solver captures stable, coarse-scale advection under filtered flow. A refinement module then restores mesoscale detail conditioned on the residual eddy field. NUTS is stable, interpretable, and robust to mesoscale perturbations, with theoretical guarantees from homogenization theory. NUTS outperforms all data-driven baselines in global reconstruction and achieves site-wise accuracy comparable to numerical models. On real observations, NUTS reduces NRMSE by 79.9% for phosphate and 19.3% for nitrate over the best baseline. Ablation studies validate the effectiveness of each module.

Large Language Models are typically trained on datasets collected from the web, which may inadvertently contain harmful or sensitive personal information. To address growing privacy concerns, unlearning methods have been proposed to remove the influence of specific data from trained models. Of these, exact unlearning---which retrains the model from scratch without the target data---is widely regarded as the gold standard for mitigating privacy risks in deployment. In this paper, we revisit this assumption in a practical deployment setting where both the pre- and post-unlearning logits API are exposed, such as in open-weight scenarios. Targeting this setting, we introduce a novel data extraction attack that leverages signals from the pre-unlearning model to guide the post-unlearning model, uncovering patterns that reflect the removed data distribution. Combining model guidance with a token filtering strategy, our attack significantly improves extraction success rates---doubling performance in some cases---across common benchmarks such as MUSE, TOFU, and WMDP. Furthermore, we demonstrate our attack's effectiveness on a simulated medical diagnosis dataset to highlight real-world privacy risks associated with exact unlearning. In light of our findings, which suggest that unlearning may, in a contradictory way, \textit{increase} the risk of privacy leakage during real-world deployments, we advocate for evaluation of unlearning methods to consider broader threat models that account not only for post-unlearning models but also for adversarial access to prior checkpoints. Code is publicly available at: https://github.com/Nicholas0228/unlearned_data_extraction_llm.

We propose new learning algorithms for building selective classifiers, which are predictors that are allowed to abstain on some fraction of the domain. We study the model where a classifier may abstain from predicting at a fixed cost. Building on the recent framework on multigroup fairness and omniprediction, given a pre-specified class of loss functions, we provide an algorithm for building a single classifier that learns abstentions and predictions optimally for every loss in the entire class, where the abstentions are decided efficiently for each specific loss function by applying a fixed post-processing function. Our algorithm and theoretical guarantees generalize the previously-known algorithms for learning selective classifiers in formal learning-theoretic models. We then extend the traditional multigroup fairness algorithms to the selective classification setting and show that we can use a calibrated and multiaccurate predictor to efficiently build selective classifiers that abstain optimally not only globally but also locally within each of the groups in any pre-specified collection of possibly intersecting subgroups of the domain, and are also accurate when they do not abstain. We show how our abstention algorithms can be used as conformal prediction methods in the binary classification setting to achieve both marginal and group-conditional coverage guarantees for an intersecting collection of groups. We provide empirical evaluations for all of our theoretical results, demonstrating the practicality of our learning algorithms for abstaining optimally and fairly.

Reinforcement learning (RL) has become a predominant technique to align language models (LMs) with human preferences or promote outputs which are deemed to be desirable by a given reward function. Standard RL approaches optimize average reward, while methods explicitly focused on reducing the probability of undesired outputs typically come at a cost to average-case performance. To improve this tradeoff, we introduce RePULSe, a new training method that augments the standard RL loss with an additional loss that uses learned proposals to guide sampling low-reward outputs, and then reduces those outputs’ probability. We run experiments demonstrating that RePULSe produces a better tradeoff of expected reward versus the probability of undesired outputs and is more adversarially robust, compared to standard RL alignment approaches and alternatives.

The Boolean Satisfiability Problem (SAT) plays a crucial role in cryptanalysis, enabling tasks like key recovery and distinguisher construction. Conflict-Driven Clause Learning (CDCL) has emerged as the dominant paradigm in modern SAT solving, and machine learning has been increasingly integrated with CDCL-based SAT solvers to tackle complex cryptographic problems. However, the lack of a unified evaluation framework, inconsistent input formats, and varying modeling approaches hinder fair comparison. Besides, cryptographic SAT instances also differ structurally from standard SAT problems, and the absence of standardized datasets further complicates evaluation. To address these issues, we introduce SAT4CryptoBench, the first comprehensive benchmark for assessing machine learning–based solvers in cryptanalysis. SAT4CryptoBench provides diverse SAT datasets in both Arithmetic Normal Form (ANF) and Conjunctive Normal Form (CNF), spanning various algorithms, rounds, and key sizes. Our framework evaluates three levels of machine learning integration: standalone distinguishers for instance classification, heuristic enhancement for guiding solving strategies, and hyperparameter optimization for adapting to specific problem distributions. Experiments demonstrate that ANF-based networks consistently achieve superior performance over CNF-based networks in learning cryptographic features. Nonetheless, current ML techniques struggle to generalize across algorithms and instance sizes, with computational overhead potentially offsetting benefits on simpler cases. Despite this, ML-driven optimization strategies notably improve solver efficiency on cryptographic SAT instances. Besides, we propose BASIN, a bitwise solver taking plaintext-ciphertext bitstrings as inputs. Crucially, its superior performance on high-round problems highlights the importance of input modeling and the advantage of direct input representations for complex cryptographic structures.