OpenRaiser/Intern-Atlas huggingface dataset:
On the Existence and Complexity of Core-Stable Data Exchanges
Venue: Conference NeurIPS 2025
Year: 2025

The rapid growth of data-driven technologies and the emergence of various data-sharing paradigms have underscored the need for efficient and stable data exchange protocols. In any such exchange, agents must carefully balance the benefit of acquiring valuable data against the cost of sharing their own. Ensuring stability in these exchanges is essential to prevent agents -- or groups of agents -- from departing and conducting local (and potentially more favorable) exchanges among themselves. To address this, we study a model where agents participate in a data exchange. Each agent has an associated payoff for the data acquired from other agents and a cost incurred during sharing its own data. The net utility of an agent is payoff minus the cost. We adapt the classical notion of core-stability from cooperative game theory to data exchange. A data exchange is core-stable if no subset of agents has any incentive to deviate to a different exchange. We show that a core-stable data exchange is guaranteed to exist when agents have concave payoff functions and convex cost functions -- a setting typical in domains like PAC learning and random discovery models. We show that relaxing either of the foregoing conditions may result in the nonexistence of core-stable data exchanges. Then, we prove that finding a core-stable exchange is PPAD-hard, even when the potential blocking coalitions are restricted to constant size. To the best of our knowledge, this provides the first known PPAD-hardness result for core-like guarantees in data economics. Finally, we show that data exchange can be modelled as a balanced $n$-person game. This immediately gives a pivoting algorithm via Scarf's theorem \cite{Scarf1967core}. We show that the pivoting algorithm works well in practice through our empirical results.
Modality-Aware SAM: Sharpness-Aware-Minimization Driven Gradient Modulation for Harmonized Multimodal Learning
Venue: Conference NeurIPS 2025
Year: 2025

In multimodal learning, dominant modalities often overshadow others, limiting generalization. We propose Modality-Aware Sharpness-Aware Minimization (M-SAM), a model-agnostic framework that applies to many modalities and supports early and late fusion scenarios. In every iteration, M-SAM in three steps optimizes learning. \textbf{First, it identifies the dominant modality} based on modalities' contribution in the accuracy using Shapley. \textbf{Second, it decomposes the loss landscape}, or in another language, it modulates the loss to prioritize the robustness of the model in favor of the dominant modality, and \textbf{third, M-SAM updates the weights} by backpropagation of modulated gradients. This ensures robust learning for the dominant modality while enhancing contributions from others, allowing the model to explore and exploit complementary features that strengthen overall performance. Extensive experiments on four diverse datasets show that M-SAM outperforms the latest state-of-the-art optimization and gradient manipulation methods and significantly balances and improves multimodal learning.
Lookahead Routing for Large Language Models
Venue: Conference NeurIPS 2025
Year: 2025

Large language model (LLM) routers improve the efficiency of multi-model systems by directing each query to the most appropriate model while leveraging the diverse strengths of heterogeneous LLMs. Most existing approaches frame routing as a classification problem based solely on the input query. While this reduces overhead by avoiding inference across all models, it overlooks valuable information that could be gleaned from potential outputs and fails to capture implicit intent or contextual nuances that often emerge only during response generation. These limitations can result in suboptimal routing decisions, particularly for complex or ambiguous queries that require deeper semantic understanding. To address this challenge, we propose Lookahead, a routing framework that "foresees" potential model outputs by predicting their latent representations and uses these predictions to guide model selection, thus enabling more informed routing without full inference. Within this framework, we implement two approaches based on causal and masked language models. Empirical evaluations across seven public benchmarks - spanning instruction following, mathematical reasoning, and code generation - show that Lookahead consistently outperforms existing routing baselines, achieving an average performance gain of 7.7% over the state-of-the-art. Our code is available at https://github.com/huangcb01/lookahead-routing.
Smart Surrogate Losses for Contextual Stochastic Linear Optimization with Robust Constraints
Venue: Conference NeurIPS 2025
Year: 2025

We study an extension of contextual stochastic linear optimization (CSLO) that, in contrast to most of the existing literature, involves inequality constraints that depend on uncertain parameters predicted by a machine learning model. To handle the constraint uncertainty, we use contextual uncertainty sets constructed via methods like conformal prediction. Given a contextual uncertainty set method, we introduce the "Smart Predict-then-Optimize with Robust Constraints" (SPO-RC) loss, a feasibility-sensitive adaptation of the SPO loss that measures decision error of predicted objective parameters. We also introduce a convex surrogate, SPO-RC+, and prove Fisher consistency with SPO-RC. To enhance performance, we train on truncated datasets where true constraint parameters lie within the uncertainty sets, and we correct the induced sample selection bias using importance reweighting techniques. Through experiments on fractional knapsack and alloy production problem instances, we demonstrate that SPO-RC+ effectively handles uncertainty in constraints and that combining truncation with importance reweighting can further improve performance.
Toward Foundation Model for Multivariate Wearable Sensing of Physiological Signals
Venue: Conference NeurIPS 2025
Year: 2025

Time-series foundation models excel at tasks like forecasting across diverse data types by leveraging informative waveform representations. Wearable sensing data, however, pose unique challenges due to their variability in patterns and frequency bands, especially for healthcare-related outcomes. The main obstacle lies in crafting generalizable representations that adapt efficiently across heterogeneous sensing configurations and applications. To address this, we propose NormWear, the first multi-modal and ubiquitous foundation model designed to extract generalized and informative representations from wearable sensing data. Specifically, we design a channel-aware attention mechanism with a shared special liaison [CLS] token to detect signal patterns in both intra-sensor and inter-sensors. This helps the model to extract more meaningful information considering both time series themselves and the relationships between input sensors. This helps the model to be widely compatible with various sensors settings. NormWear is pretrained on a diverse set of physiological signals, including PPG, ECG, EEG, GSR, and IMU, from various public datasets. Our model shows exceptional generalizability across 11 public wearable sensing datasets, spanning 18 applications in mental health, body state inference, vital sign estimation, and disease risk evaluation. It consistently outperforms competitive baselines under zero-shot, partial-shot, and full-shot settings, indicating broad applicability in real-world health applications.
Hybrid-Balance GFlowNet for Solving Vehicle Routing Problems
Venue: Conference NeurIPS 2025
Year: 2025

Existing GFlowNet-based methods for vehicle routing problems (VRPs) typically employ Trajectory Balance (TB) to achieve global optimization but often neglect important aspects of local optimization. While Detailed Balance (DB) addresses local optimization more effectively, it alone falls short in solving VRPs, which inherently require holistic trajectory optimization. To address these limitations, we introduce the Hybrid-Balance GFlowNet (HBG) framework, which uniquely integrates TB and DB in a principled and adaptive manner by aligning their intrinsically complementary strengths. Additionally, we propose a specialized inference strategy for depot-centric scenarios like the Capacitated Vehicle Routing Problem (CVRP), leveraging the depot node's greater flexibility in selecting successors. Despite this specialization, HBG maintains broad applicability, extending effectively to problems without explicit depots, such as the Traveling Salesman Problem (TSP). We evaluate HBG by integrating it into two established GFlowNet-based solvers, i.e., AGFN and GFACS, and demonstrate consistent and significant improvements across both CVRP and TSP, underscoring the enhanced solution quality and generalization afforded by our approach.
Aligning Transformers with Continuous Feedback via Energy Rank Alignment
Venue: Conference NeurIPS 2025
Year: 2025

Searching through chemical space is an exceptionally challenging problem because the number of possible molecules grows combinatorially with the number of atoms. Large, autoregressive models trained on databases of chemical compounds have yielded powerful generators, but we still lack robust strategies for generating molecules with desired properties. This molecular search problem closely resembles the "alignment" problem for large language models, though for many chemical tasks we have a specific and easily evaluable reward function. Here, we introduce an algorithm called energy rank alignment (ERA) that leverages an explicit reward function to produce a gradient-based objective that we use to optimize autoregressive policies. We show theoretically that this algorithm is closely related to proximal policy optimization (PPO) and direct preference optimization (DPO), but has a minimizer that converges to an ideal Gibbs-Boltzmann distribution with the reward playing the role of an energy function. Furthermore, this algorithm is highly scalable, does not require reinforcement learning, and performs well relative to DPO when the number of preference observations per pairing is small. We deploy this approach to align molecular transformers and protein language models to generate molecules and protein sequences, respectively, with externally specified properties and find that it does so robustly, searching through diverse parts of chemical space.
Neural SDEs as a Unified Approach to Continuous-Domain Sequence Modeling
Venue: Conference NeurIPS 2025
Year: 2025

Inspired by the ubiquitous use of differential equations to model continuous dynamics across diverse scientific and engineering domains, we propose a novel and intuitive approach to continuous sequence modeling. Our method interprets time-series data as \textit{discrete samples from an underlying continuous dynamical system}, and models its time evolution using Neural Stochastic Differential Equation (Neural SDE), where both the flow (drift) and diffusion terms are parameterized by neural networks. We derive a principled maximum likelihood objective and a \textit{simulation-free} scheme for efficient training of our Neural SDE model. We demonstrate the versatility of our approach through experiments on sequence modeling tasks across both embodied and generative AI. Notably, to the best of our knowledge, this is the first work to show that SDE-based continuous-time modeling also excels in such complex scenarios, and we hope that our work opens up new avenues for research of SDE models in high-dimensional and temporally intricate domains.
VERA: Variational Inference Framework for Jailbreaking Large Language Models
Venue: Conference NeurIPS 2025
Year: 2025

The rise of API-only access to state-of-the-art LLMs highlights the need for effective black-box jailbreak methods to identify model vulnerabilities in real-world settings. Without a principled objective for gradient-based optimization, most existing approaches rely on genetic algorithms, which are limited by their initialization and dependence on manually curated prompt pools. Furthermore, these methods require individual optimization for each prompt, failing to provide a comprehensive characterization of model vulnerabilities. To address this gap, we introduce VERA: Variational infErence fRamework for jAilbreaking. VERA casts black-box jailbreak prompting as a variational inference problem, training a small attacker LLM to approximate the target LLM's posterior over adversarial prompts. Once trained, the attacker can generate diverse, fluent jailbreak prompts for a target query without re-optimization. Experimental results show that VERA achieves strong performance across a range of target LLMs, highlighting the value of probabilistic inference for adversarial prompt generation.
Self-Supervised Learning of Motion Concepts by Optimizing Counterfactuals
Venue: Conference NeurIPS 2025
Year: 2025

Estimating motion in videos is an essential computer vision problem with many downstream applications, including controllable video generation and robotics. Current solutions are primarily trained using synthetic data or require tuning of situation-specific heuristics, which inherently limits these models' capabilities in real-world contexts. Despite recent developments in large-scale self-supervised learning from videos, leveraging such representations for motion estimation remains relatively underexplored. In this work, we develop Opt-CWM, a self-supervised technique for flow and occlusion estimation from a pre-trained next-frame prediction model. Opt-CWM works by learning to optimize counterfactual probes that extract motion information from a base video model, avoiding the need for fixed heuristics while training on unrestricted video inputs. We achieve state-of-the-art performance for motion estimation on real-world videos while requiring no labeled data.
Uncertain Knowledge Graph Completion via Semi-Supervised Confidence Distribution Learning
Venue: Conference NeurIPS 2025
Year: 2025

Uncertain knowledge graphs (UKGs) associate each triple with a confidence score to provide more precise knowledge representations. Recently, since real-world UKGs suffer from the incompleteness, uncertain knowledge graph (UKG) completion attracts more attention, aiming to complete missing triples and confidences. Current studies attempt to learn UKG embeddings to solve this problem, but they neglect the extremely imbalanced distributions of triple confidences. This causes that the learnt embeddings are insufficient to high-quality UKG completion. Thus, in this paper, to address the above issue, we propose a new semi-supervised Confidence Distribution Learning (ssCDL) method for UKG completion, where each triple confidence is transformed into a confidence distribution to introduce more supervision information of different confidences to reinforce the embedding learning process. ssCDL iteratively learns UKG embedding by relational learning on labeled data (i.e., existing triples with confidences) and unlabeled data with pseudo labels (i.e., unseen triples with the generated confidences), which are predicted by meta-learning to augment the training data and rebalance the distribution of triple confidences. Experiments on two UKG datasets demonstrate that ssCDL consistently outperforms state-of-the-art baselines in different evaluation metrics.
Consistently Simulating Human Personas with Multi-Turn Reinforcement Learning
Venue: Conference NeurIPS 2025
Year: 2025

Large Language Models (LLMs) are increasingly used to simulate human users in interactive settings such as therapy, education, and social role-play. While these simulations enable scalable training and evaluation of AI agents, off-the-shelf LLMs often drift from their assigned personas, contradict earlier statements, or abandon role-appropriate behavior. We introduce a unified framework for evaluating and improving persona consistency in LLM-generated dialogue. We define three automatic metrics: prompt-to-line consistency, line-to-line consistency, and Q&A consistency, that capture different types of persona drift and validate each against human annotations. Using these metrics as reward signals, we apply multi-turn reinforcement learning to fine-tune LLMs for three user roles: a patient, a student, and a social chat partner. Our method reduces inconsistency by over 55%, resulting in more coherent and faithful simulated users.
The Gaussian Mixing Mechanism: Renyi Differential Privacy via Gaussian Sketches
Venue: Conference NeurIPS 2025
Year: 2025

Gaussian sketching, which consists of pre-multiplying the data with a random Gaussian matrix, is a widely used technique for multiple problems in data science and machine learning, with applications spanning computationally efficient optimization, coded computing, and federated learning. This operation also provides differential privacy guarantees due to its inherent randomness. In this work, we revisit this operation through the lens of Renyi Differential Privacy (RDP), providing a refined privacy analysis that yields significantly tighter bounds than prior results. We then demonstrate how this improved analysis leads to performance improvement in different linear regression settings, establishing theoretical utility guarantees. Empirically, our methods improve performance across multiple datasets and, in several cases, reduce runtime.
Learning Diffusion Models with Flexible Representation Guidance
Venue: Conference NeurIPS 2025
Year: 2025

Diffusion models can be improved with additional guidance towards more effective representations of input. Indeed, prior empirical work has already shown that aligning internal representations of the diffusion model with those of pre-trained models improves generation quality. In this paper, we present a systematic framework for incorporating representation guidance into diffusion models. We provide alternative decompositions of denoising models along with their associated training criteria, where the decompositions determine when and how the auxiliary representations are incorporated. Guided by our theoretical insights, we introduce two new strategies for enhancing representation alignment in diffusion models. First, we pair examples with target representations either derived from themselves or arisen from different synthetic modalities, and subsequently learn a joint model over the multimodal pairs. Second, we design an optimal training curriculum that balances representation learning and data generation. Our experiments across image, protein sequence, and molecule generation tasks demonstrate superior performance as well as accelerated training. In particular, on the class-conditional ImageNet $256\times 256$ benchmark, our guidance results in $23.3$ times faster training than the original SiT-XL as well as four times speedup over the state-of-the-art method REPA. The code is available at https://github.com/ChenyuWang-Monica/REED.
KTAE: A Model-Free Algorithm to Key-Tokens Advantage Estimation in Mathematical Reasoning
Venue: Conference NeurIPS 2025
Year: 2025

Recent advances have demonstrated that integrating reinforcement learning with rule-based rewards can significantly enhance the reasoning capabilities of large language models, even without supervised fine-tuning. However, prevalent reinforcement learning algorithms such as GRPO and its variants like DAPO, suffer from a coarse granularity issue when computing the advantage. Specifically, they compute rollout-level advantages that assign identical values to every token within a sequence, failing to capture token-specific contributions and hindering effective learning. To address this limitation, we propose Key-token Advantage Estimation (KTAE) - a novel algorithm that estimates fine-grained, token-level advantages without introducing additional models. KTAE leverages the correctness of sampled rollouts and applies statistical analysis to quantify the importance of individual tokens within a sequence to the final outcome. This quantified token-level importance is then combined with the rollout-level advantage to obtain a more fine-grained token-level advantage estimation. Empirical results show that models trained with GRPO+KTAE and DAPO+KTAE outperform baseline methods across five mathematical reasoning benchmarks. Notably, they achieve higher accuracy with shorter responses and even surpass R1-Distill-Qwen-1.5B using the same base model.
Generative Caching for Structurally Similar Prompts and Responses
Venue: Conference NeurIPS 2025
Year: 2025

Large Language Models (LLMs) are increasingly being used to plan, reason, and execute tasks across diverse scenarios. In use cases like repeatable workflows and agentic settings, prompts are often reused with minor variations while having a similar structure for recurring tasks. This opens up opportunities for caching. However, exact prompt matching fails on such structurally similar prompts, while semantic caching may produce incorrect responses by ignoring critical differences. To address this, we introduce \ourmethod{}, a generative cache that produces variation-aware responses for structurally similar prompts. \ourmethod{} identifies reusable response patterns across similar prompt structures and synthesizes customized outputs for new requests. We show that \ourmethod{} achieves 83\% cache hit rate, while having minimal incorrect hits on datasets without prompt repetition. In agentic workflows, it improves cache hit rate by $\sim$20\% and reduces end-to-end execution latency by $\sim$34\% compared to standard prompt matching.
IF-Guide: Influence Function-Guided Detoxification of LLMs
Venue: Conference NeurIPS 2025
Year: 2025

We study how training data contributes to the emergence of toxic behaviors in large language models. Most prior work on reducing model toxicity adopts reactive approaches, such as fine-tuning pre-trained (and potentially toxic) models to align them with human values. In contrast, we propose a proactive approach, IF-GUIDE, that leverages influence functions to identify and suppress harmful tokens in the training data. To this end, we first show that standard influence functions are ineffective at discovering harmful training records. We then present a novel adaptation that measures token-level attributions from training data to model toxicity, along with techniques for selecting toxic training documents and a learning objective that can be integrated into both pre-training and fine-tuning. Moreover, IF-GUIDE does not rely on human-preference data, which is typically required by existing alignment methods. In our evaluation, we demonstrate that IF-GUIDE substantially reduces both explicit and implicit toxicity-by up to 10$\times$ compared to uncensored models, and up to 3$\times$ compared to baseline alignment methods such as DPO and RAD-across both pre-training and fine-tuning scenarios. IF-GUIDE is computationally efficient: a billion-parameter model is not necessary for computing influence scores; a million-parameter model-with 7.5$\times$ fewer parameters-can effectively serve as a proxy for identifying harmful data. Our code is publicly available at: https://github.com/ztcoalson/IF-Guide