NeurIPS 2025 Papers

To enhance the generalization ability of graph neural networks (GNNs) in learning and simulation physical dynamics, a series of equivariant GNNs have been developed to incorporate the symmetric inductive bias. However, the existing methods do not take into account the non-stationarity nature of physical dynamics, where the joint distribution changes over time. Moreover, previous approaches for modeling non-stationary time series typically involve normalizing the data, which disrupts the symmetric assumption inherent in physical dynamics. To model the non-stationary physical dynamics while preserving the symmetric inductive bias, we introduce a Non-Stationary Equivariant Graph Neural Network (NS-EGNN) to capture the non-stationarity in physical dynamics while preserving the symmetric property of the model. Specifically, NS-EGNN employs Fourier Transform on segments of physical dynamics to extract time-varying frequency information from the trajectories. It then uses the first and second-order differences to mitigate non-stationarity, followed by pooling for future predictions. Through capturing varying frequency characteristics and alleviate the linear and quadric trend in the raw physical dynamics, NS-EGNN better models the temporal dependencies in the physical dynamics. NS-EGNN has been applied on various types of physical dynamics, including molecular, motion and protein dynamics. In various scenario, NS-EGNN consistently surpasses the performance of existing state-of-the-art algorithms, underscoring its effectiveness. The implementation of NS-EGNN is available at https://github.com/MaojiWEN/NS-EGNN.

Human–AI conversation frequently relies on quoting earlier text—“check it with the formula I just highlighted”—yet today’s large language models (LLMs) lack an explicit mechanism for locating and exploiting such spans. We formalize the challenge as span-conditioned generation, decomposing each turn into the dialogue history, a set of token-offset quotation spans, and an intent utterance. Building on this abstraction, we introduce a quotation-centric data pipeline that automatically synthesizes task-specific dialogues, verifies answer correctness through multi-stage consistency checks, and yields both a heterogeneous training corpus and the first benchmark covering five representative scenarios. To meet the benchmark’s zero-overhead and parameter-efficiency requirements, we propose QuAda, a lightweight training-based method that attaches two bottleneck projections to every attention head, dynamically amplifying or suppressing attention to quoted spans at inference time while leaving the prompt unchanged and updating < 2.8% of backbone weights. Experiments across models show that QuAda is suitable for all scenarios and generalizes to unseen topics, offering an effective, plug-and-play solution for quotation-aware dialogue.

In this work, we address the task of table image to LaTeX code generation, with the goal of automating the reconstruction of high-quality, publication-ready tables from visual inputs. A central challenge of this task lies in accurately handling complex tables—those with large sizes, deeply nested structures, and semantically rich or irregular cell content—where existing methods often fail. We begin with a comprehensive analysis, identifying key challenges and highlighting the limitations of current evaluation protocols. To overcome these issues, we propose a reinforced multimodal large language model (MLLM) framework, where a pre-trained MLLM is fine-tuned on a large-scale table-to-LaTeX dataset. To further improve generation quality, we introduce a dual-reward reinforcement learning strategy based on Group Relative Policy Optimization (GRPO). Unlike standard approaches that optimize purely over text outputs, our method incorporates both a structure-level reward on LaTeX code and a visual fidelity reward computed from rendered outputs, enabling direct optimization of the visual output quality. We adopt a hybrid evaluation protocol combining TEDS-Structure and CW-SSIM, and show that our method achieves state-of-the-art performance, particularly on structurally complex tables, demonstrating the effectiveness and robustness of our approach.

Large language models (LLMs) have demonstrated remarkable progress in generating functional code, leading to numerous AI-based coding program tools. However, their reliance on the perplexity objective during both training and inference primarily emphasizes functionality, often at the expense of efficiency—an essential consideration for real-world coding tasks. Perhaps interestingly, we observed that well-trained LLMs inherently possess knowledge about code efficiency, but this potential remains underutilized with standard decoding approaches. To address this, we design strategic prompts to activate the model’s embedded efficiency understanding, effectively using LLMs as \textit{efficiency critiques} to guide code generation toward higher efficiency without sacrificing—and sometimes even improving—functionality, all without the need for costly real code execution. Extensive experiments on benchmark datasets (EffiBench, HumanEval+) across multiple representative code models demonstrate up to a 70.6\% reduction in average execution time and a 13.6\% decrease in maximum memory usage, highlighting the computational efficiency and practicality of our approach compared to existing alternatives.

We study the ability of language models to reason about appropriate information disclosure - a central aspect of the evolving field of agentic privacy. Whereas previous works have focused on evaluating a model's ability to align with human decisions, we examine the role of ambiguity and missing context on model performance when making information-sharing decisions. We identify context ambiguity as a crucial barrier for high performance in privacy assessments. By designing Camber, a framework for context disambiguation, we show that model-generated decision rationales can reveal ambiguities and that systematically disambiguating context based on these rationales leads to significant accuracy improvements (up to 13.3% in precision and up to 22.3% in recall) as well as reductions in prompt sensitivity. Overall, our results indicate that approaches for context disambiguation are a promising way forward to enhance agentic privacy reasoning.

We introduce a novel deep learning algorithm for computing convex conjugates of differentiable convex functions, a fundamental operation in convex analysis with various applications in different fields such as optimization, control theory, physics and economics. While traditional numerical methods suffer from the curse of dimensionality and become computationally intractable in high dimensions, more recent neural network-based approaches scale better, but have mostly been studied with the aim of solving optimal transport problems and require the solution of complicated optimization or max-min problems. Using an implicit Fenchel formulation of convex conjugation, our approach facilitates an efficient gradient-based framework for the minimization of approximation errors and, as a byproduct, also provides a posteriori error estimates for the approximation quality. Numerical experiments demonstrate our method's ability to deliver accurate results across different high-dimensional examples. Moreover, by employing symbolic regression with Kolmogorov–Arnold networks, it is able to obtain the exact convex conjugates of specific convex functions.

The number of tokens it takes to encode parallel text in different languages is known to vary. These disparities are called *token premiums*. Having high token premiums leads to less throughput during training and increases costs at inference. In this paper, we show that even after controlling for dataset size, vocabulary size, and data content, monolingual tokenizers exhibit a wide range of token premiums across languages. To understand the cross-linguistic differences that cause these token premiums, we train a suite of approximately 7,000 comparable monolingual tokenizers for 97 languages, manipulating tokenization algorithm vocabulary size, and dataset size. We measure token premiums and test for a relationship between factors such as data similarity (between tokenizer training and evaluation), vocabulary size, and pre-tokenization. We also investigate the role of language-specific features such as writing system and word length. We find that similarity between training and test data does not impact token premiums, but vocabulary size and pre-tokenization do. While simply increasing vocabulary size does not lead to reduced token premium effects, we can determine an "optimal" vocabulary size for each language to achieve significantly reduced token premium effects. We also train superword tokenizers which allow merges over whitespaces, and we find that they both reduce token premium effects and improve compression overall. Thus, intervening on the vocabulary size or the pre-tokenizer significantly reduces crosslingual token premium effects.

The rapid advancement of large language models (LLMs) such as ChatGPT, DeepSeek, and Claude has significantly increased the presence of AI-generated text in digital communication. This trend has heightened the need for reliable detection methods to distinguish between human-authored and machine-generated content. Existing approaches both zero-shot methods and supervised classifiers largely conceptualize this task as a binary classification problem, often leading to poor generalization across domains and models. In this paper, we argue that such a binary formulation fundamentally mischaracterizes the detection task by assuming a coherent representation of human-written texts. In reality, human texts do not constitute a unified distribution, and their diversity cannot be effectively captured through limited sampling. This causes previous classifiers to memorize observed OOD characteristics rather than learn the essence of `non-ID' behavior, limiting generalization to unseen human-authored inputs. Based on this observation, we propose reframing the detection task as an out-of-distribution (OOD) detection problem, treating human-written texts as distributional outliers while machine-generated texts are in-distribution (ID) samples. To this end, we develop a detection framework using one-class learning method including DeepSVDD and HRN, and score-based learning techniques such as energy-based method, enabling robust and generalizable performance. Extensive experiments across multiple datasets validate the effectiveness of our OOD-based approach. Specifically, the OOD-based method achieves 98.3\% AUROC and AUPR with only 8.9\% FPR95 on DeepFake dataset. Moreover, we test our detection framework on multilingual, attacked, and unseen-model and -domain text settings, demonstrating the robustness and generalizability of our framework. Code will be released openly and also available in the supplementary materials.

This paper is concerned with online time series forecasting, where unknown distribution shifts occur over time, i.e., latent variables influence the mapping from historical to future observations. To develop an automated way of online time series forecasting, we propose a Theoretical framework for Online Time-series forecasting (TOT in short) with theoretical guarantees. Specifically, we prove that supplying a forecaster with latent variables tightens the Bayes risk—the benefit endures under estimation uncertainty of latent variables and grows as the latent variables achieve a more precise identifiability. To better introduce latent variables into online forecasting algorithms, we further propose to identify latent variables with minimal adjacent observations. Based on these results, we devise a model-agnostic blueprint by employing a temporal decoder to match the distribution of observed variables and two independent noise estimators to model the causal inference of latent variables and mixing procedures of observed variables, respectively. Experiment results on synthetic data support our theoretical claims. Moreover, plug-in implementations built on several baselines yield general improvement across multiple benchmarks, highlighting the effectiveness in real-world applications.

Large language models (LLMs) have achieved notable progress. Despite their success, next-token prediction (NTP), the dominant method for LLM training and inference, is constrained in both contextual coverage and inference efficiency due to its inherently sequential process. To overcome these challenges, we propose leap multi-token prediction~(L-MTP), an innovative token prediction method that extends the capabilities of multi-token prediction (MTP) by introducing a leap-based mechanism. Unlike conventional MTP, which generates multiple tokens at adjacent positions, L-MTP strategically skips over intermediate tokens, predicting non-sequential ones in a single forward pass. This structured leap not only enhances the model's ability to capture long-range dependencies but also enables a decoding strategy specially optimized for non-sequential leap token generation, effectively accelerating inference. We theoretically demonstrate the benefit of L-MTP in improving inference efficiency. Experiments across diverse benchmarks validate its merit in boosting both LLM performance and inference speed. The source code is available at https://github.com/Xiaohao-Liu/L-MTP.

Models for natural language and images benefit from data scaling behavior: the more data fed into the model, the better they perform. This 'better with more' phenomenon enables the effectiveness of large-scale pre-training on vast amounts of data. However, current graph pre-training methods struggle to scale up data due to heterogeneity across graphs. To achieve effective data scaling, we aim to develop a general model that is able to capture diverse data patterns of graphs and can be utilized to adaptively help the downstream tasks. To this end, we propose UniAug, a universal graph structure augmentor built on a diffusion model. We first pre-train a discrete diffusion model on thousands of graphs across domains to learn the graph structural patterns. In the downstream phase, we provide adaptive enhancement by conducting graph structure augmentation with the help of the pre-trained diffusion model via guided generation. By leveraging the pre-trained diffusion model for structure augmentation, we consistently achieve performance improvements across various downstream tasks in a plug-and-play manner. To the best of our knowledge, this study represents the first demonstration of a data-scaling graph structure augmentor on graphs across domains.

Speech neuroprostheses aim to restore communication for people with severe paralysis by decoding speech directly from neural activity. To accelerate algorithmic progress, a recent benchmark released intracranial recordings from a paralyzed participant attempting to speak, along with a baseline decoding algorithm. Prior work on the benchmark showed impressive accuracy gains. However, these gains increased computational costs and were not demonstrated in a real-time decoding setting. Here, we make three contributions that pave the way towards accurate, efficient, and real-time neural speech decoding. First, we incorporate large amounts of time-masking during training. On average, over $50\%$ of each trial is masked. Second, we replace the gated recurrent unit (GRU) architecture used in the baseline algorithm with a compact Transformer. The Transformer architecture uses $83\%$ fewer parameters, cuts peak GPU memory usage by $52\%$ relative, and is significantly faster to calibrate relative to the GRU. Third, we design a lightweight variant of an existing test-time adaptation method developed for decoding handwriting from neural activity. Our variant adapts the model using multiple time-masked augmentations of a single trial and requires only one gradient step per trial. Together, these contributions reduce word error rate by $20\%$ and effectively mitigate performance degradations across held-out days in a real-time decoding setting while substantially lowering computational costs.

Instance-dependent Partial Label Learning (ID-PLL) aims to learn a multi-class predictive model given training instances annotated with candidate labels related to features, among which correct labels are hidden fixed but unknown. The previous works involve leveraging the identification capability of the training model itself to iteratively refine supervision information. However, these methods overlook a critical aspect of ID-PLL: within the original label space, the model may fail to distinguish some incorrect candidate labels that are strongly correlated with features from correct labels. This leads to poor-quality supervision signals and creates a bottleneck in the training process. In this paper, we propose to leverage reduction-based pseudo-labels to alleviate the influence of incorrect candidate labels and train our predictive model to overcome this bottleneck. Specifically, reduction-based pseudo-labels are generated by performing weighted aggregation on the outputs of a multi-branch auxiliary model, with each branch trained in a label subspace that excludes certain labels. This approach ensures that each branch explicitly avoids the disturbance of the excluded labels, allowing the pseudo-labels provided for instances troubled by these excluded labels to benefit from the unaffected branches. Theoretically, we demonstrate that reduction-based pseudo-labels exhibit greater consistency with the Bayes optimal classifier compared to pseudo-labels directly generated from the training predictive model.

How does the training data affect a model's behavior? This is the question we seek to answer with *data attribution*. The leading practical approaches to data attribution are based on *influence functions* (IF). IFs utilize a first-order Taylor approximation to efficiently predict the effect of removing a set of samples from the training set without retraining the model, and are used in a wide variety of machine learning applications. However, especially in the high-dimensional regime (# params $\geq \Omega($# samples$)$), they are often imprecise and tend to underestimate the effect of sample removals, even for simple models such as logistic regression. We present *rescaled influence functions* (RIF) -- a tool for data attribution which can be used as a drop-in replacement for influence functions, with little computational overhead but significant improvement in accuracy. We compare IF and RIF on a range of real-world datasets, showing that RIFs offer significantly better predictions in practice, and present a theoretical analysis explaining this improvement. Finally, we present a simple class of data poisoning attacks that would fool IF-based detections but would be detected by RIF.

In this work, we take an experimentally grounded look at neural network optimization. Building on the Shampoo family of algorithms, we identify and alleviate three key issues, resulting in the proposed SPlus method. First, we find that naive Shampoo is prone to divergence when matrix-inverses are cached for long periods. We introduce an alternate bounded update combining a historical eigenbasis with instantaneous normalization, resulting in across-the-board stability and significantly lower computational requirements. Second, we adapt a shape-aware scaling to enable learning rate transfer across network width. Third, we find that high learning rates result in large parameter noise, and propose a simple iterate-averaging scheme which unblocks faster learning. To properly confirm these findings, we introduce a pointed Transformer training benchmark, considering three objectives (language modelling, image classification, and diffusion modelling) across different stages of training. On average, SPlus is able to reach the validation performance of Adam within 44-58% of the gradient steps and 62-83% of the wallclock time.

LLMs have emerged as powerful evaluators in the LLM-as-a-Judge paradigm, offering significant efficiency and flexibility compared to human judgments. However, previous methods primarily rely on single-point evaluations, overlooking the inherent diversity and uncertainty in human evaluations. This approach leads to information loss and decreases the reliability of evaluations. To address this limitation, we propose a novel training framework that explicitly aligns the LLM-generated judgment distribution with human evaluation distributions. Specifically, we propose a distributional alignment objective based on KL divergence, combined with an auxiliary cross-entropy regularization to stabilize the training process. Furthermore, due to limited human annotations, empirical human distributions are merely noisy estimates of the true underlying distribution. We therefore incorporate adversarial training to ensure a robust alignment with this true distribution, rather than overfitting to its imperfect approximation. Extensive experiments across various LLM backbones and evaluation tasks demonstrate that our framework significantly outperforms existing closed-source LLMs and conventional single-point alignment methods, with superior alignment quality, strong robustness, and competitive evaluation accuracy.

Retrieval-augmented generation (RAG) has proven effective in integrating knowledge into large language models (LLMs). However, conventional RAGs struggle to capture complex relationships between pieces of knowledge, limiting their performance in intricate reasoning that requires integrating knowledge from multiple sources. Recently, graph-enhanced retrieval augmented generation (GraphRAG) builds a graph structure to explicitly model these relationships, enabling more effective and efficient retrievers. Nevertheless, its performance is still hindered by the noise and incompleteness within the graph structure. To address this, we introduce GFM-RAG, a novel graph foundation model (GFM) for retrieval augmented generation. GFM-RAG is powered by an innovative graph neural network that reasons over graph structure to capture complex query-knowledge relationships. The GFM with 8M parameters undergoes a two-stage training process on large-scale datasets, comprising 60 knowledge graphs with over 14M triples and 700k documents. This results in impressive performance and generalizability for GFM-RAG, making it the first graph foundation model applicable to unseen datasets for retrieval without any fine-tuning required. Extensive experiments on three multi-hop QA datasets and seven domain-specific RAG datasets demonstrate that GFM-RAG achieves state-of-the-art performance while maintaining efficiency and alignment with neural scaling laws, highlighting its potential for further improvement.

Vehicle trajectory prediction serves as a critical enabler for autonomous navigation and intelligent transportation systems. While existing approaches predominantly focus on temporal pattern extraction and vehicle-environment interaction modeling, they exhibit a fundamental limitation in addressing trajectory heterogeneity originating from human driving styles. This oversight constrains prediction reliability in complex real-world scenarios. To bridge this gap, we propose the Driving-Style-Adaptive (\underline{\textbf{DSA}}) framework, which establishes the first systematic integration of heterogeneous driving behaviors into trajectory prediction models. Specifically, our framework employs a set of basis functions tailored to each driving style to approximate the trajectory patterns. By dynamically combining and adaptively adjusting the degree of these basis functions, DSA not only enhances prediction accuracy but also provides \textbf{explanations} insights into the prediction process. Extensive experiments on public real-world datasets demonstrate that the DSA framework outperforms state-of-the-art methods.

We revisit scene-level 3D object detection as the output of an object-centric framework capable of both localization and mapping using 3D oriented boxes as the underlying geometric primitive. While existing 3D object detection approaches operate globally and implicitly rely on the a priori existence of metric camera poses, our method, Rooms from Motion (RfM) operates on a collection of un-posed images. By replacing the standard 2D keypoint-based matcher of structure-from-motion with an object-centric matcher based on image-derived 3D boxes, we estimate metric camera poses, object tracks, and finally produce a global, semantic 3D object map. When a priori pose is available, we can significantly improve map quality through optimization of global 3D boxes against individual observations. RfM shows strong localization performance and subsequently produces maps of higher quality than leading point-based and multi-view 3D object detection methods on CA-1M and ScanNet++, despite these global methods relying on overparameterization through point clouds or dense volumes. Rooms from Motion achieves a general, object-centric representation which not only extends the work of Cubify Anything to full scenes but also allows for inherently sparse localization and parametric mapping proportional to the number of objects in a scene.