NeurIPS 2025 论文列表

Modern language model (LM) training has been divided into multiple stages, making it difficult for downstream developers to evaluate the impact of design choices made at each stage. We present EvoLM, a model suite that enables systematic and transparent analysis of LMs' training dynamics across pre-training, continued pre-training, supervised fine-tuning, and reinforcement learning. By training over 100 LMs with 1B and 4B parameters from scratch, we rigorously evaluate both upstream (language modeling) and downstream (problem-solving) reasoning capabilities, including considerations of both in-domain and out-of-domain generalization. Key insights highlight the diminishing returns from excessive pre-training and post-training, the importance and practices of mitigating forgetting during domain-specific continued pre-training, the crucial role of continued pre-training in bridging pre-training and post-training phases, and various intricate trade-offs when configuring supervised fine-tuning and reinforcement learning. To facilitate open research and reproducibility, we release all pre-trained and post-trained models, training datasets for all stages, and our entire training and evaluation pipeline.

We introduce LOKI, a compute-efficient framework for co-designing morphologies and control policies that generalize across unseen tasks. Inspired by biological adaptation—where animals quickly adjust to morphological changes—our method overcomes the inefficiencies of traditional evolutionary and quality-diversity algorithms. We propose learning convergent functions: shared control policies trained across clusters of morphologically similar designs in a learned latent space, drastically reducing the training cost per design. Simultaneously, we promote divergent forms by replacing mutation with dynamic local search, enabling broader exploration and preventing premature convergence. The policy reuse allows us to explore $\sim780\times$ more designs using 78\% fewer simulation steps and 40\% less compute per design. Local competition paired with a broader search results in a diverse set of high-performing final morphologies. Using the UNIMAL design space and a flat-terrain locomotion task, LOKI discovers a rich variety of designs—ranging from quadrupeds to crabs, bipedals, and spinners—far more diverse than those produced by prior work. These morphologies also transfer better to unseen downstream tasks in agility, stability, and manipulation domains (e.g. $2 \times$ higher reward on bump and push box incline tasks). Overall, our approach produces designs that are both diverse and adaptable, with substantially greater sample efficiency than existing co-design methods.

With the rapid advancement of the digital economy, data collaboration between organizations has become a well-established business model, driving the growth of various industries. However, privacy concerns make direct data sharing impractical. To address this, Two-Party Split Learning (a.k.a. Vertical Federated Learning (VFL)) has emerged as a promising solution for secure collaborative learning. Despite its advantages, this architecture still suffers from low computational resource utilization and training efficiency. Specifically, its synchronous dependency design increases training latency, while resource and data heterogeneity among participants further hinder efficient computation. To overcome these challenges, we propose \texttt{PubSub-VFL}, a novel VFL paradigm with a Publisher/Subscriber architecture optimized for two-party collaborative learning with high computational efficiency. \texttt{PubSub-VFL} leverages the decoupling capabilities of the Pub/Sub architecture and the data parallelism of the parameter server architecture to design a hierarchical asynchronous mechanism, reducing training latency and improving system efficiency. Additionally, to mitigate the training imbalance caused by resource and data heterogeneity, we formalize an optimization problem based on participants’ system profiles, enabling the selection of optimal hyperparameters while preserving privacy. We conduct a theoretical analysis to demonstrate that \texttt{PubSub-VFL} achieves stable convergence and is compatible with security protocols such as differential privacy. Extensive case studies on five benchmark datasets further validate its effectiveness, showing that \texttt{PubSub-VFL} compared to state-of-the-art baselines not only accelerates training by $2 \sim 7\times$ without compromising accuracy but also achieves computational resource utilization by up to 91.07\%.

The integration of big data, physical laws, and machine learning algorithms has shown potential to improve the estimation and understanding of complex real-world systems. However, effectively incorporating physical laws with uncertainties into machine learning algorithms remains understudied. In this work, we bridge this gap by developing the Partial Physics Informed Diffusion Model (PPIDM), a novel framework that integrates known physical principles through a physics operator while reducing the impact of unknown dynamics by minimizing related discrepancies. We showcase PPIDM’s capabilities using ocean surface chlorophyll concentration data, which are influenced by both physical and biological processes, while the latter is poorly constrained. Experimental results reveal that PPIDM achieves substantially improved prediction accuracy and stability, significantly outperforming baseline methods that either neglect physics entirely or impose incomplete physical constraints under the assumption of completeness.

Vision-language models (VLMs) have shown strong performance on text-to-image retrieval benchmarks. However, bridging this success to real-world applications remains a challenge. In practice, human search behavior is rarely a one-shot action. Instead, it is often a multi-round process guided by clues in mind. That is, a mental image ranging from vague recollections to vivid mental representations of the target image. Motivated by this gap, we study the task of Mental Image Retrieval (MIR), which targets the realistic yet underexplored setting where users refine their search for a mentally envisioned image through multi-round interactions with an image search engine. Central to successful interactive retrieval is the capability of machines to provide users with clear, actionable feedback; however, existing methods rely on indirect or abstract verbal feedback, which can be ambiguous, misleading, or ineffective for users to refine the query. To overcome this, we propose GenIR, a generative multi-round retrieval paradigm leveraging diffusion-based image generation to explicitly reify the AI system's understanding at each round. These synthetic visual representations provide clear, interpretable feedback, enabling users to refine their queries intuitively and effectively. We further introduce a fully automated pipeline to generate a high-quality multi-round MIR dataset. Experimental results demonstrate that GenIR significantly outperforms existing interactive methods in the MIR scenario. This work establishes a new task with a dataset and an effective generative retrieval method, providing a foundation for future research in this direction

As major progress in LLM-based long-form text generation enables paradigms such as retrieval-augmented generation (RAG) and inference-time scaling, safely incorporating private information into the generation remains a critical open question. We present InvisibleInk, a highly scalable long-form text generation framework satisfying rigorous differential privacy guarantees with respect to the sensitive reference texts. It interprets sampling from the LLM's next-token-distribution as the exponential mechanism over the LLM logits with two innovations. First, we reduce the privacy cost by isolating and clipping only the sensitive information in the model logits (relative to the public logits). Second, we improve text quality by sampling without any privacy cost from a small superset of the top-$k$ private tokens. Empirical evaluations demonstrate a consistent $8\times$ (or more) reduction in computation cost over state-of-the-art baselines to generate long-form private text of the same utility across privacy levels. InvisibleInk is able to generate, for the first time, high-quality private long-form text at less than $4\text{-}8\times$ times the computation cost of non-private generation, paving the way for its practical use.

Understanding functional representations within higher visual cortex is a fundamental question in computational neuroscience. While artificial neural networks pretrained on large-scale datasets exhibit striking representational alignment with human neural responses, learning image-computable models of visual cortex relies on individual-level, large-scale fMRI datasets. The necessity for expensive, time-intensive, and often impractical data acquisition limits the generalizability of encoders to new subjects and stimuli. **BraInCoRL** uses in-context learning to predict voxelwise neural responses from few-shot examples *without any additional finetuning* for novel subjects and stimuli. We leverage a transformer architecture that can flexibly condition on a variable number of in-context image stimuli, learning an inductive bias over multiple subjects. During training, we explicitly optimize the model for in-context learning. By jointly conditioning on image features and voxel activations, our model learns to directly generate better performing voxelwise models of higher visual cortex. We demonstrate that BraInCoRL consistently outperforms existing voxelwise encoder designs in a low-data regime when evaluated on entirely novel images, while also exhibiting strong test-time scaling behavior. The model also generalizes to an entirely new visual fMRI dataset, which uses different subjects and fMRI data acquisition parameters. Further, BraInCoRL facilitates better interpretability of neural signals in higher visual cortex by attending to semantically relevant stimuli. Finally, we show that our framework enables interpretable mappings from natural language queries to voxel selectivity.

We present an information-theoretic framework for discrete diffusion models that yields principled estimators of log-likelihood using score-matching losses. Inspired by the I-MMSE identity for the Gaussian setup, we derive analogous results for the discrete setting. Specifically, we introduce the Information–Minimum Denoising Score Entropy (I-MDSE) relation, which links mutual information between data and its diffused version to the minimum denoising score entropy (DSE) loss. We extend this theory to masked diffusion and establish the Information–Minimum Denoising Cross-Entropy (I-MDCE) relation, connecting cross-entropy losses to mutual information in discrete masked processes. These results provide a time-integral decomposition of the log-likelihood of the data in terms of optimal score-based losses, showing that commonly used losses such as DSE and DCE are not merely variational bounds but tight and principled estimators of log-likelihood. The I-MDCE decomposition further enables practical extensions, including time-free formula, conditional likelihood estimation in prompt–response tasks, and coupled Monte Carlo estimation of likelihood ratios. Experiments on synthetic and real-world data confirm the accuracy, variance stability, and utility of our estimators. The code is publicly available at https://github.com/Dongjae0324/infodis.

A fine-grained account of functional selectivity in the cortex is essential for understanding how visual information is processed and represented in the brain. Classical studies using designed experiments have identified multiple category-selective regions; however, these approaches rely on preconceived hypotheses about categories. Subsequent data-driven discovery methods have sought to address this limitation but are often limited by simple, typically linear encoding models. We propose an in silico approach for data-driven discovery of novel category-selectivity hypotheses based on an encoder–decoder transformer model. The architecture incorporates a brain-region to image-feature cross-attention mechanism, enabling nonlinear mappings between high-dimensional deep network features and semantic patterns encoded in the brain activity. We further introduce a method to characterize the selectivity of individual parcels by leveraging diffusion-based image generative models and large-scale datasets to synthesize and select images that maximally activate each parcel. Our approach reveals regions with complex, compositional selectivity involving diverse semantic concepts, which we validate in silico both within and across subjects. Using a brain encoder as a “digital twin” offers a powerful, data-driven framework for generating and testing hypotheses about visual selectivity in the human brain—hypotheses that can guide future fMRI experiments. Our code is available at: https://kriegeskorte-lab.github.io/in-silico-mapping-web/.

In this paper, we introduce **PolyMath**, a multilingual mathematical reasoning benchmark covering 18 languages and 4 easy-to-hard difficulty levels. Our benchmark ensures difficulty comprehensiveness, language diversity, and high-quality translation, making it a highly discriminative multilingual mathematical benchmark in the era of reasoning LLMs. We conduct a comprehensive evaluation for advanced LLMs and find that even Qwen-3-235B-A22B-Thinking and Gemini-2.5-pro, achieve only 54.6 and 52.2 benchmark scores, with about 40% accuracy under the highest level. From a language perspective, our benchmark reveals several key challenges of LLMs in multilingual reasoning: (1) Reasoning performance varies widely across languages for current LLMs; (2) Input-output language consistency is low in reasoning LLMs and may be correlated with performance; (3) The thinking length differs significantly by language for current LLMs. Additionally, we demonstrate that controlling the output language in the instructions has the potential to affect reasoning performance, especially for some low-resource languages, suggesting a promising direction for improving multilingual capabilities in LLMs.

Understanding the dynamic physical world, characterized by its evolving 3D structure, real-world motion, and semantic content with textual descriptions, is crucial for human-agent interaction and enables embodied agents to perceive and act within real environments with human‑like capabilities. However, existing datasets are often derived from limited simulators or utilize traditional Structure-from-Motion for up-to-scale annotation and offer limited descriptive captioning, which restricts the capacity of foundation models to accurately interpret real-world dynamics from monocular videos, commonly sourced from the internet. To bridge these gaps, we introduce **DynamicVerse**, a physical‑scale, multimodal 4D world modeling framework for dynamic real-world video. We employ large vision, geometric, and multimodal models to interpret metric-scale static geometry, real-world dynamic motion, instance-level masks, and holistic descriptive captions. By integrating window-based Bundle Adjustment with global optimization, our method converts long real-world video sequences into a comprehensive 4D multimodal format. DynamicVerse delivers a large-scale dataset consists of 100K+ videos with 800K+ annotated masks and 10M+ frames from internet videos. Experimental evaluations on three benchmark tasks, namely video depth estimation, camera pose estimation, and camera intrinsics estimation, demonstrate that our 4D modeling achieves superior performance in capturing physical-scale measurements with greater global accuracy than existing methods.

In the field of AI-driven human-GUI interaction automation, while rapid advances in multimodal large language models and reinforcement fine-tuning techniques have yielded remarkable progress, a fundamental challenge persists: their interaction logic significantly deviates from natural human-GUI communication patterns. To address this gap, we propose Blink–Think–Link (BTL), a brain-inspired framework for human-GUI interaction that mimics the human cognitive process between users and graphical interfaces. The system decomposes interactions into three biologically plausible phases: (1) \textbf{Blink} - rapid detection and attention to relevant screen areas, analogous to saccadic eye movements; (2) \textbf{Think} - higher-level reasoning and decision-making, mirroring cognitive planning; and (3) \textbf{Link} - generation of executable commands for precise motor control, emulating human action selection mechanisms. Additionally, we introduce two key technical innovations for BTL framework: (1) Blink Data Generation - an automated annotation pipeline specifically optimized for blink data, and (2) {BTL Reward – the first rule-based reward mechanism that enables reinforcement learning driven by both process and outcome.} Building upon this framework, we develop a GUI agent model named BTL-UI, which demonstrates competitive performance across both static GUI understanding and dynamic interaction tasks in comprehensive benchmarks. These results provide conclusive empirical validation of the framework's efficacy in developing advanced GUI agents.

Knowledge distillation is a promising approach to transfer capabilities from complex teacher models to smaller, resource-efficient student models that can be deployed easily, particularly in task-aware scenarios. However, existing methods of task-aware distillation typically require substantial quantities of data which may be unavailable or expensive to obtain in many practical scenarios. In this paper, we address this challenge by introducing a novel strategy called **Co**unterfactual-explanation-infused **D**istillation CoD for *few-shot task-aware knowledge distillation by systematically infusing counterfactual explanations*. Counterfactual explanations (CFEs) refer to inputs that can flip the output prediction of the teacher model with minimum perturbation. Our strategy CoD leverages these CFEs to precisely map the teacher's decision boundary with significantly fewer samples. We provide theoretical guarantees for motivating the role of CFEs in distillation, from both statistical and geometric perspectives. We mathematically show that CFEs can improve parameter estimation by providing more informative examples near the teacher’s decision boundary. We also derive geometric insights on how CFEs effectively act as knowledge probes, helping the students mimic the teacher's decision boundaries more effectively than standard data. We perform experiments across various datasets and LLMs to show that CoD outperforms standard distillation approaches in few-shot regimes (as low as 8 - 512 samples). Notably, CoD only uses half of the original samples used by the baselines, paired with their corresponding CFEs and still improves performance.

While language models have shown remarkable performance across diverse tasks, they still encounter challenges in complex reasoning scenarios. Recent research suggests that language models trained on linearized search traces toward solutions, rather than solely on the final solutions, exhibit improved generalization, despite the search traces being potentially noisy or suboptimal. However, relying on such imperfect traces can result in inefficient use of test-time compute. To address this, we propose guided reinforced self-training (Guided-ReST), a fine-tuning algorithm designed to improve the model’s capability for effective search during inference. The key insight behind Guided-ReST is that optimal solutions can serve as valuable step-by-step landmarks to guide the model’s search process. Based on this insight, we introduce a novel data generation method that seamlessly incorporates optimal solutions into the model’s search procedure, enabling the generation of high-quality search traces. By fine-tuning the model on these search traces, we effectively distill improved search strategies into the model. Our method significantly enhances the search capabilities of language models on arithmetic reasoning and code self-repair tasks, including Countdown, CodeContests, and CodeForces. We release the source code at https://github.com/snu-mllab/guided-rest.

Effective human-AI coordination requires artificial agents capable of exhibiting and responding to human-like behaviors while adapting to changing contexts. Imitation learning has emerged as one of the prominent approaches to build such agents by training them to mimic human-demonstrated behaviors. However, current methods struggle to capture the inherent diversity and non-Markovian nature of human behavior and lack the ability to steer behavior at inference time. Drawing inspiration from the theory of human cognitive processes, where inner speech guides action selection before execution, we propose MIMIC (Modeling Inner Motivations for Imitation and Control), a framework that uses language as an internal representation of behavioral intent. MIMIC employs the novel use of vision-language models as linguistic scaffolding to train a conditional variational autoencoder capable of generating inner speech from observations. A diffusion-based behavior cloning policy then selects actions conditioned on current observations and the generated inner speech. MIMIC enables fine-grained steering of behavior at inference time by conditioning the agent on behavior-specific speech. Experiments across robotic manipulation tasks and human-AI collaboration games demonstrate that MIMIC significantly enhances both behavior diversity and fidelity to human demonstrations while enabling nuanced behavioral steering without training on additional demonstrations.

A unified foundation model for medical time series—pretrained on open access and ethically reviewed medical corpora—offers the potential to reduce annotation burdens, minimize model customization, and enable robust transfer across clinical institutions, modalities, and tasks, particularly in data-scarce or privacy-constrained environments. However, existing time series foundation models struggle to handle medical time series data due to its inherent challenges, including irregular intervals, heterogeneous sampling rates, and frequent missingness. To address these challenges, we introduce MIRA, a unified foundation model specifically designed for medical time series forecasting. MIRA incorporates a Continuous-Time Rotary Positional Encoding that enables fine-grained modeling of variable time intervals, a frequency-specific mixture-of-experts layer that routes computation across latent frequency regimes to further promote temporal specialization, and a Continuous Dynamics Extrapolation Block based on Neural ODE that models the continuous trajectory of latent states, enabling accurate forecasting at arbitrary target timestamps. Pretrained on a large-scale and diverse medical corpus comprising over 454 billion time points collect from publicly available datasets, MIRA achieving reductions in forecasting errors by an average of 8% and 6% in out-of-distribution and in-distribution scenarios, respectively. We also introduce a comprehensive benchmark spanning multiple downstream clinical tasks, establishing a foundation for future research in medical time series modeling.

Neural collapse (NC) and its multi-layer variant, deep neural collapse (DNC), describe a structured geometry that occurs in the features and weights of trained deep networks. Recent theoretical work by Sukenik et al. using a deep unconstrained feature model (UFM) suggests that DNC is suboptimal under mean squared error (MSE) loss. They heuristically argue that this is due to low-rank bias induced by L2 regularization. In this work, we extend this result to deep UFMs trained with cross-entropy loss, showing that high-rank structures—including DNC—are not generally optimal. We characterize the associated low-rank bias, proving a fixed bound on the number of non-negligible singular values at global minima as network depth increases. We further analyze the loss surface, demonstrating that DNC is more prevalent in the landscape than other critical configurations, which we argue explains its frequent empirical appearance. Our results are validated through experiments in deep UFMs and deep neural networks.

Long-term Time Series Forecasting (LTSF) tasks, which leverage the current data sequence as input to predict the future sequence, have become increasingly crucial in real-world applications such as weather forecasting and planning of electricity consumption. However, state-of-the-art LTSF models often fail to achieve prediction output alignment for the same timestamps across lagged input sequences. Instead, these models exhibit low output alignment, resulting in fluctuation in prediction outputs for the same timestamps, undermining the model's reliability. To address this, we propose AliO (Align Outputs), a novel approach designed to improve the output alignment of LTSF models by reducing the discrepancies between prediction outputs for the same timestamps in both the time and frequency domains. To measure output alignment, we introduce a new metric, TAM (Time Alignment Metric), which quantifies the alignment between prediction outputs, whereas existing metrics such as MSE only capture the distance between prediction outputs and ground truths. Experimental results show that AliO effectively improves the output alignment, i.e., up to 58.2\% in TAM, while maintaining or enhancing the forecasting performance (up to 27.5\%). This improved output alignment increases the reliability of the LTSF models, making them more applicable in real-world scenarios. The code implementation is on an anonymous GitHub repository.

Tabular reasoning requires complex, multi-step information extraction and logical inference, such as aggregation, comparison, or calculation over tabular data. While recent advances have leveraged large language models (LLMs) for reasoning over structured text tables, such high-quality textual representations are often unavailable in real-world settings, where tables typically appear as images. In this paper, we tackle the task of tabular reasoning directly from table images. Our core strategy is to leverage privileged structured information---specifically, the ground-truth structured table data available during training but inaccessible at test time---to enhance multimodal large language models (MLLMs). The key challenges lie in: accurately aligning visual representations with the structured information, particularly mapping the visual evidence to logical steps; and effectively transferring the reasoning skills learned during training to the MLLM for visual inference. To address these, we introduce {\sc Turbo} (TabUlar Reasoning with Bridged infOrmation), a new framework for multimodal tabular reasoning using privileged information. {\sc Turbo} benefits from a structure-aware reasoning trace generator based on DeepSeek-R1, which contributes to high-quality modality-bridged information. On this basis, {\sc Turbo} repeatedly generates and selects advantageous reasoning traces, further enhancing the model's tabular reasoning ability. Experimental results demonstrate that, with limited (9k) data, {\sc Turbo} achieves state-of-the-art performance ($+7.2\%$ vs. previous SOTA) across multiple datasets.