NeurIPS 2025 Papers

Large reasoning models (LRMs) are proficient at generating explicit, step-by-step reasoning sequences before producing final answers. However, such detailed reasoning can introduce substantial computational overhead and latency, particularly for simple problems. To address this over-thinking problem, we explore how to equip LRMs with adaptive thinking capabilities—enabling them to dynamically decide whether or not to engage in explicit reasoning based on problem complexity. Building on R1-style distilled models, we observe that inserting a simple ellipsis ("...") into the prompt can stochastically trigger either a thinking or no-thinking mode, revealing a latent controllability in the reasoning behavior. Leveraging this property, we propose AutoThink, a multi-stage reinforcement learning (RL) framework that progressively optimizes reasoning policies via stage-wise reward shaping. AutoThink learns to invoke explicit reasoning only when necessary, while defaulting to succinct responses for simpler tasks. Experiments on five mainstream mathematical benchmarks demonstrate that AutoThink achieves favorable accuracy–efficiency trade-offs compared to recent prompting and RL-based pruning methods. It can be seamlessly integrated into any R1-style model, including both distilled and further fine-tuned variants. Notably, AutoThink improves relative accuracy by 6.4\% while reducing token usage by 52\% on DeepSeek-R1-Distill-Qwen-1.5B, establishing a scalable and adaptive reasoning paradigm for LRMs. Project Page: https://github.com/ScienceOne-AI/AutoThink.

Condensing large datasets into smaller synthetic counterparts has demonstrated its promise for image classification. However, previous research has overlooked a crucial concern in image recognition: ensuring that models trained on condensed datasets are unbiased towards protected attributes (PA), such as gender and race. Our investigation reveals that dataset distillation fails to alleviate the unfairness towards minority groups within original datasets. Moreover, this bias typically worsens in the condensed datasets due to their smaller size. To bridge the research gap, we propose a novel fair dataset distillation (FDD) framework, namely FairDD, which can be seamlessly applied to diverse matching-based DD approaches (DDs), requiring no modifications to their original architectures. The key innovation of FairDD lies in synchronously matching synthetic datasets to PA-wise groups of original datasets, rather than indiscriminate alignment to the whole distributions in vanilla DDs, dominated by majority groups. This synchronized matching allows synthetic datasets to avoid collapsing into majority groups and bootstrap their balanced generation to all PA groups. Consequently, FairDD could effectively regularize vanilla DDs to favor biased generation toward minority groups while maintaining the accuracy of target attributes. Theoretical analyses and extensive experimental evaluations demonstrate that FairDD significantly improves fairness compared to vanilla DDs, with a promising trade-off between fairness and accuracy. Its consistent superiority across diverse DDs, spanning Distribution and Gradient Matching, establishes it as a versatile FDD approach.

The rapid development of multilingual large language models (LLMs) highlights the need for high-quality, diverse, and well-curated multilingual datasets. In this paper, we introduce DCAD-2000 (Data Cleaning as Anomaly Detection), a large-scale multilingual corpus constructed from newly extracted Common Crawl data and existing multilingual sources. DCAD-2000 covers 2,282 languages, 46.72TB of text, and 8.63 billion documents, spanning 155 high- and medium-resource languages and 159 writing scripts. To overcome the limitations of existing data cleaning approaches, which rely on manually designed heuristic thresholds, we reframe data cleaning as an anomaly detection problem. This dynamic filtering paradigm substantially improves data quality by automatically identifying and removing noisy or anomalous content. By fine-tuning LLMs on DCAD-2000, we demonstrate notable improvements in data quality, robustness of the cleaning pipeline, and downstream performance, particularly for low-resource languages across multiple multilingual benchmarks.

Label prototype learning has emerged as an effective paradigm in Partial Multi-Label Learning (PML), providing a distinctive framework for modeling structured representations of label semantics while naturally filtering noise through prototype-based label confidence estimation. However, existing prototype-based methods face a critical limitation: class prototypes are the biased estimates due to noisy candidate labels, particularly when positive samples are scarce. To this end, we first propose a mutually class prototype alignment strategy bypassing noise interference by introducing two different transformation matrices, which makes the class prototypes learned by the fuzzy clustering and candidate label set mutually alignment for correcting themselves. Such alignment is also passed on to the fuzzy memberships label in turn. In addition, to eliminate noise interference in the candidate label set during the classifier learning, we use the learned permutation matrix to transform the fuzzy memberships label for learning a label reliability indicator matrix accompanied by the candidate label set. This makes the label reliability indicator matrix absolutely prevent the occurrence of numerical values located in non-label and simultaneously eliminate the introduction of incorrect label as much as possible. The resulting indicator matrix guides a robust multi-label classifier training process, jointly optimizing label confidence and classifier parameters. Extensive experiments demonstrate that our proposed model exhibits significant performance advantages over state-of-the-art PML approaches.

Foundation Vision Encoders have become indispensable across a wide range of dense vision tasks. However, their operation at low spatial feature resolutions necessitates subsequent feature decompression to enable full-resolution processing. To address this limitation, we introduce JAFAR, a lightweight and flexible feature upsampler designed to enhance the spatial resolution of visual features from any Foundation Vision Encoder to any target resolution. JAFAR features an attention-based upsampling module that aligns the spatial representations of high-resolution queries with semantically enriched low-resolution keys via Spatial Feature Transform modulation. Despite the absence of high-resolution feature ground truth; we find that learning at low upsampling ratios and resolutions generalizes surprisingly well to much higher scales. Extensive experiments demonstrate that JAFAR recovers intricate pixel-level details and consistently outperforms existing feature upsampling techniques across a diverse set of dense downstream applications.

Large Language Models (LLMs) are increasingly deployed as autonomous agents in multi-agent systems, and promising coordination has been demonstrated in handling complex tasks under predefined roles and scripted workflows. However, significant challenges remain in open-ended environments, where agents are inherently self-interested and explicit coordination guidelines are absent. In such scenarios, misaligned incentives frequently lead to social dilemmas and inefficient collective outcomes. Inspired by how human societies tackle similar coordination challenges—through temporary collaborations like employment or subcontracting—a cooperative workflow \textbf{Shapley-Coop} is proposed. This workflow enables self-interested Large Language Model (LLM) agents to engage in emergent collaboration by using a fair credit allocation mechanism to ensure each agent’s contributions are appropriately recognized and rewarded. Shapley-Coop introduces structured negotiation protocols and Shapley-inspired reasoning to estimate agents’ marginal contributions, thereby enabling effective task-time coordination and equitable post-task outcome redistribution. This results in effective coordination that fosters collaboration while preserving agent autonomy, through a rational pricing mechanism that encourages cooperative behavior. Evaluated in two multi-agent games and a software engineering simulation, Shapley-Coop consistently enhances LLM agent collaboration and facilitates equitable outcome redistribution, accurately reflecting individual contributions during the task execution process.

Learning safe reinforcement learning (RL) policies from offline multi-task datasets without direct environmental interaction is crucial for efficient and reliable deployment of RL agents. Benefiting from their scalability and strong in-context learning capabilities, recent approaches attempt to utilize Decision Transformer (DT) architectures for offline safe RL, demonstrating promising adaptability across varying safety budgets. However, these methods primarily focus on single-constraint scenarios and struggle with diverse constraint configurations across multiple tasks. Additionally, their reliance on heuristically defined Return-To-Go (RTG) inputs limits flexibility and reduces learning efficiency, particularly in complex multi-task environments. To address these limitations, we propose CoPDT, a novel DT-based framework designed to enhance adaptability to diverse constraints and varying safety budgets. Specifically, CoPDT introduces a constraint prioritized prompt encoder, which leverages sparse binary cost signals to accurately identify constraints, and a constraint prioritized Return-To-Go (CPRTG) token mechanism, which dynamically generates RTGs based on identified constraints and corresponding safety budgets. Extensive experiments on the OSRL benchmark demonstrate that CoPDT achieves superior efficiency and significantly enhanced safety compliance across diverse multi-task scenarios, surpassing state-of-the-art DT-based methods by satisfying safety constraints in more than twice as many tasks.

Tokenization efficiency plays a critical role in the performance and cost of large language models (LLMs), yet most models rely on static tokenizers optimized on general-purpose corpora. These tokenizers’ fixed vocabularies often fail to adapt to domain- or language-specific inputs, leading to longer token sequences and higher computational costs. We introduce zip2zip, a novel method for achieving context-adaptive tokenization in LLMs at inference time. Leveraging an online data compression algorithm (Lempel–Ziv–Welch), zip2zip dynamically expands its active vocabulary at inference time by continuously replacing fragmented token sequences with more compact hypertokens, which it can immediately output during generation. In doing so, the model refines its internal tokenization scheme to match the token distribution of the current context, reducing redundancy and improving representational efficiency. zip2zip consists of three key components: (1) a tokenizer based on Lempel–Ziv–Welch compression that incrementally merges co-occurring tokens into reusable hypertokens on the fly; (2) a dynamic embedding (and unembedding) layer that computes embeddings for newly formed hypertokens at runtime; and (3) a variant of autoregressive language modeling that pretrains the model to handle hypertokenized, compressed text sequences as inputs and outputs. We show that an existing LLM can be uptrained for zip2zip in 10 GPU-hours via parameter-efficient finetuning. The resulting LLM performs test-time adaptation, learning to use hypertokens in unseen contexts and reducing input and output tokens by 15–40%. Code and models are released at https://github.com/epfl-dlab/zip2zip.

Diverse decoding of large language models is crucial for applications requiring multiple semantically distinct responses, yet existing methods primarily achieve lexical rather than semantic diversity. This limitation significantly constrains Best-of-N strategies, group-based reinforcement learning, and data synthesis. While temperature sampling and diverse beam search modify token distributions or apply n-gram penalties, they fail to ensure meaningful semantic differentiation. We introduce Semantic-guided Diverse Decoding (SemDiD), operating directly in embedding space that balances quality with diversity through three complementary mechanisms: orthogonal directional guidance, dynamic inter-group repulsion, and position-debiased probability assessment. SemDiD harmonizes these competing objectives using adaptive gain functions and constraint optimization, ensuring both quality thresholds and maximal semantic differentiation. Experiments show SemDiD consistently outperforms existing methods, improving Best-of-N coverage by 1.4-5.2% across diverse tasks and accelerating RLHF training convergence by 15% while increasing accuracy by up to 2.1%.

In enterprise settings, organizational data is segregated, siloed and carefully protected by elaborate access control frameworks. These access control structures can completely break down if an LLM fine-tuned on the siloed data serves requests, for downstream tasks, from individuals with disparate access privileges. We propose Permissioned LLMs (PermLLM), a new class of LLMs that superimpose the organizational data access control structures on query responses they generate. We formalize abstractions underpinning the means to determine whether access control enforcement happens correctly over LLM query responses. Our formalism introduces the notion of a relevant response that can be used to prove whether a PermLLM mechanism has been implemented correctly. We also introduce a novel metric, called access advantage, to empirically evaluate the efficacy of a PermLLM mechanism. We introduce three novel PermLLM mechanisms that build on Parameter Efficient Fine-Tuning to achieve the desired access control. We furthermore present two instantiations of access advantage–(i) Domain Distinguishability Index (DDI) based on Membership Inference Attacks, and (ii) Utility Gap Index (UGI) based on LLM utility evaluation. We demonstrate the efficacy of our PermLLM mechanisms through extensive experiments on five public datasets (GPQA, RCV1, SimpleQA, WMDP, and PubMedQA), in addition to evaluating the validity of DDI and UGI metrics themselves for quantifying access control in LLMs.

Autoregressive models (ARMs) show strong capabilities in many domains but face challenges with planning and complex reasoning due to their sequential generation. Masked diffusion models (MDMs) address these issues by enabling controllable, any-order, and parallel generation but encounter training difficulties as token prediction complexity varies with unmasked token positions. This work identifies two key characteristics of efficient MDM sampling paths: prioritizing tokens near unmasked ones and generating subsequence earlier in reasoning. We propose the Simple Path Masked Diffusion Model (SPMDM), which partitions sequences into fixed-length, non-overlapping subsequences and applies varying noise scales to learn token-level and cross-subsequence dependencies. Experiments on synthetic data and tasks like Countdown and Sudoku show SPMDM captures structural rules effectively, significantly outperforming existing MDMs and ARMs, with competitive results on broader reasoning benchmarks.

According to Algorithmic Information Theory (AIT), intelligent representations compress data into the shortest possible program while remaining predictive of its content—exhibiting low Kolmogorov Complexity (KC). In contrast, most visual representation learning systems assign fixed-length representations to all inputs, ignoring variations in complexity or familiarity. Recent adaptive tokenization methods address this by allocating variable-length representations but typically require test-time search over multiple hypotheses to identify the most predictive one. Inspired by KC principles, we propose a one-shot adaptive tokenizer, KARL, that predicts the appropriate number of tokens for an image in a single forward pass, halting once its approximate KC is reached. The token count serves as a proxy for the minimum description length. KARL performs comparably to recent adaptive tokenizers while operating in a one-pass manner. Additionally, we present a conceptual study showing a correlation between adaptive tokenization and core ideas from AIT. We demonstrate that adaptive tokenization not only aligns with KC but also reveals empirical signals approximating AIT concepts such as sophistication and logical depth. Finally, we analyze predicted image complexity and interestingness across axes such as structure vs. noise and in-distribution vs. out-of-distribution familiarity, highlighting alignment with human annotations.

Recently, self-play fine-tuning (SPIN) has been proposed to adapt large language models to downstream applications with scarce expert-annotated data, by iteratively generating synthetic responses from the model itself. However, SPIN is designed to optimize the current reward advantages of annotated responses over synthetic responses at hand, which may gradually vanish during iterations, leading to \textit{unstable optimization}. Moreover, the utilization of reference policy induces a \textit{misalignment} issue between the reward formulation for training and the metric for generation. To address these limitations, we propose a novel \textbf{T}riplet-based \textbf{S}elf-\textbf{P}lay f\textbf{I}ne-tu\textbf{N}ing (TSPIN) method that integrates two key designs. First, beyond current advantages, TSPIN additionally incorporates historical advantages between iteratively generated responses and proto-synthetic responses produced by the initial policy. Even if the current advantages diminish, historical advantages remain effective, stabilizing the overall optimization. Second, TSPIN introduces the entropy constraint into the self-play framework, which is theoretically justified to support reference-free fine-tuning, eliminating the training-generation discrepancy. Empirical results on various tasks demonstrate not only the superior performance of TSPIN over SPIN, but also its stable evolution during iterations. Remarkably, compared to supervised fine-tuning, TSPIN achieves comparable or even better performance with only $25\\%$ samples, highlighting its effectiveness when faced with scarce annotated data.

We present *Fractional Diffusion Bridge Models* (FDBM), a novel generative diffusion bridge framework driven by the rich and non-Markovian fractional Brownian motion (fBM). Real stochastic processes exhibit a degree of memory effects (correlations in time), long-range dependencies, roughness and anomalous diffusion phenomena that are not captured in standard diffusion or bridge modeling due to the use of Brownian motion (BM). As a remedy, leveraging a recent Markovian approximation (MA-fBM), we construct FDBM that enable tractable inference while preserving the non-Markovian nature of fBM. We prove that the resulting bridge is a coupling-preserving process and leverage it for future state prediction from paired training data. We then extend our formulation to the Schrödinger bridge problem and derive a principled loss function to learn the unpaired data translation. We evaluate FDBM on both tasks: predicting future protein conformations from aligned data, and unpaired image translation. In both settings, FDBM achieves superior performance compared to the Brownian baselines, yielding lower root mean squared deviation (RMSD) of C$_\alpha$ atomic positions in protein structure prediction and lower Fréchet Inception Distance (FID) in unpaired image translation.

For classical PDE solvers, adjusting the spatial resolution and time step offers a trade-off between speed and accuracy. Neural emulators often achieve better speed-accuracy trade-offs by operating accurately on a compact representation of the PDE system. Coarsened PDE fields are a simple and effective representation, but cannot exploit fine spatial scales in the high-fidelity numerical solutions. Alternatively, unstructured latent representations provide efficient autoregressive rollouts, but cannot enforce local interactions or physical laws as inductive biases. To overcome these limitations, we introduce hybrid representations that augment coarsened PDE fields with spatially structured latent variables extracted from high-resolution inputs. Hybrid representations provide efficient rollouts, can be trained on a simple loss defined on coarsened PDE fields, and support hard physical constraints. When predicting fine- and coarse-scale features across multiple PDE emulation tasks, they outperform or match the speed-accuracy trade-offs of the best convolutional, attentional, Fourier operator-based and autoencoding baselines.

Conformal prediction has been explored as a general and efficient way to provide uncertainty quantification for time series. However, current methods struggle to handle time series data with change points — sudden shifts in the underlying data-generating process. In this paper, we propose a novel Conformal Prediction for Time-series with Change points (CPTC) algorithm, addressing this gap by integrating a model to predict the underlying state with online conformal prediction to model uncertainties in non-stationary time series. We prove CPTC's validity and improved adaptivity in the time series setting under minimum assumptions, and demonstrate CPTC's practical effectiveness on 6 synthetic and real-world datasets, showing improved validity and adaptivity compared to state-of-the-art baselines.

Neurosymbolic (NeSy) predictors combine neural perception with symbolic reasoning to solve tasks like visual reasoning. However, standard NeSy predictors assume conditional independence between the symbols they extract, thus limiting their ability to model interactions and uncertainty --- often leading to overconfident predictions and poor out-of-distribution generalisation. To overcome the limitations of the independence assumption, we introduce _neurosymbolic diffusion models_ (NeSyDMs), a new class of NeSy predictors that use discrete diffusion to model dependencies between symbols. Our approach reuses the independence assumption from NeSy predictors at each step of the diffusion process, enabling scalable learning while capturing symbol dependencies and uncertainty quantification. Across both synthetic and real-world benchmarks — including high-dimensional visual path planning and rule-based autonomous driving — NeSyDMs achieve state-of-the-art accuracy among NeSy predictors and demonstrate strong calibration.

We show that across architecture (Transformer vs. Mamba vs. RWKV), training dataset (OpenWebText vs. The Pile), and scale (14 million parameters to 12 billion parameters), autoregressive language models exhibit highly consistent patterns of change in their behavior over the course of pretraining. Based on our analysis of over 1,400 language model checkpoints on over 110,000 tokens of English, we find that up to 98\% of the variance in language model behavior at the word level can be explained by three simple heuristics: the unigram probability (frequency) of a given word, the $n$-gram probability of the word, and the semantic similarity between the word and its context. Furthermore, we see consistent behavioral phases in all language models, with their predicted probabilities for words overfitting to those words' $n$-gram probabilities for increasing $n$ over the course of training. Taken together, these results suggest that learning in neural language models may follow a similar trajectory irrespective of model details.

Pre-training large language models (LLMs) on vast text corpora enhances natural language processing capabilities but risks encoding social biases, particularly gender bias. While parameter-modification methods like fine-tuning mitigate bias, they are resource-intensive, unsuitable for closed-source models, and lack adaptability to evolving societal norms. Instruction-based approaches offer flexibility but often compromise general performance on normal tasks. To address these limitations, we propose $\textit{FaIRMaker}$, an automated and model-independent framework that employs an $\textbf{auto-search and refinement}$ paradigm to adaptively generate Fairwords, which act as instructions to reduce gender bias and enhance response quality. $\textit{FaIRMaker}$ enhances the debiasing capacity by enlarging the Fairwords search space while preserving the utility and making it applicable to closed-source models by training a sequence-to-sequence model that adaptively refines Fairwords into effective debiasing instructions when facing gender-related queries and performance-boosting prompts for neutral inputs. Extensive experiments demonstrate that $\textit{FaIRMaker}$ effectively mitigates gender bias while preserving task integrity and ensuring compatibility with both open- and closed-source LLMs.