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Boosting Knowledge Utilization in Large Language Models via Adaptive Fusion and Attention Reallocation

Neural Information Processing Systems

Despite their recent progress, Multimodal Large Language Models (MLLMs) often struggle in knowledge-intensive tasks due to the limited and outdated parametric knowledge acquired during training. Multimodal Retrieval Augmented Generation addresses this issue by retrieving contextual knowledge from external databases, thereby enhancing MLLMs with expanded knowledge sources. However, existing MLLMs often fail to fully leverage the retrieved contextual knowledge for response generation. We examine representative MLLMs and identify two major causes, namely, attention bias toward different tokens and knowledge conflicts between parametric and contextual knowledge. To this end, we design Adaptive Logits Fusion and Attention Reallocation (ALFAR), a training-free and plugand-play approach that improves MLLM responses by maximizing the utility of the retrieved knowledge. Specifically, ALFAR tackles the challenges from two perspectives.


Optimizing Retrieval for RAG via Reinforcement Learning

Neural Information Processing Systems

As retrieval-augmented generation (RAG) becomes more widespread, the role of retrieval is shifting from retrieving information for human browsing to retrieving context for AI reasoning. This shift creates more complex search environments, where relevance is difficult to pre-define. Existing retrievers rely on supervised fine-tuning (SFT) with human labels or synthetic data, resulting in static relevance that struggles to adapt to diverse RAG environments. To address this challenge, we propose R3, a Retrieval framework optimized for RAG through Reinforcement learning (RL). Specifically, we adopt an RL training paradigm that enables the retriever to explore and self-improve within given RAG environments, automating the learning process with minimal manual experimentation or tuning effort. Extensive experiments across diverse tasks demonstrate that R3 improves RAG performance by 5.2% over the original retriever and surpasses state-of-the-art retrievers by 4.9%, while achieving comparable results to LLM-augmented retrieval and RAG systems built on post-trained or instruction-tuned LLMs. It is both efficient and practical, requiring only 4 GPUs and completing training within a single day.


JAMUN: Bridging Smoothed Molecular Dynamics and Score-Based Learning for Conformational Ensembles

Neural Information Processing Systems

Conformational ensembles of protein structures are immensely important both for understanding protein function and drug discovery in novel modalities such as cryptic pockets. Current techniques for sampling ensembles such as molecular dynamics (MD) are computationally inefficient, while many recent machine learning methods do not transfer to systems outside their training data. We propose JAMUN which performs MD in a smoothed, noised space of all-atom 3D conformations of molecules by utilizing the framework of walk-jump sampling. JAMUN enables ensemble generation for small peptides at rates of an order of magnitude faster than traditional molecular dynamics. The physical priors in JAMUN enables transferability to systems outside of its training data, even to peptides that are longer than those originally trained on.


Human assisted Robotic Policy Refinement via Action Preference Optimization

Neural Information Processing Systems

Establishing a reliable and iteratively refined robotic system is essential for deploying real-world applications. While Vision-Language-Action (VLA) models are widely recognized as the foundation model for such robotic deployment, their reliance on offline expert demonstrations critically limits their capacity for postdeployment refinement. To mitigate this limitation, we introduce Action Preference Optimization (APO), a method designed to refine VLA models by human-assisted preference alignment gathered through interaction with environments. This method begins with a human-robot collaboration framework for reliable failure correction and interaction trajectory collection through human intervention. However, directly leveraging these interaction trajectories for preference optimization is non-trivial due to the challenges of irreversible robotic actions and token distribution mismatch. To solve this, APO proposes an adaptive reweighting algorithm with binary desirability signals derived from interaction, empowering VLA models effectively suppress failure-prone actions while enhancing corrective action adaptation. Ultimately, APO equips VLA models with the crucial capability to learn from failure, paving the way for their iterative refinement and reliable deployment in dynamic environments. The experiments conducted in simulation and real-world scenarios prove superior generalization and robustness of our human-assisted framework across a variety of manipulation tasks. We believe this work could bring insights for efficient and stable optimization of VLA models through human-robot collaboration.


Disentangling Hyperedges through the Lens of Category Theory

Neural Information Processing Systems

Despite the promising results of disentangled representation learning in discovering latent patterns in graph-structured data, few studies have explored disentanglement for hypergraph-structured data. Integrating hyperedge disentanglement into hypergraph neural networks enables models to leverage hidden hyperedge semantics, such as unannotated relations between nodes, that are associated with labels. This paper presents an analysis of hyperedge disentanglement from a categorytheoretical perspective and proposes a novel criterion for disentanglement derived from the naturality condition. Our proof-of-concept model experimentally showed the potential of the proposed criterion by successfully capturing functional relations of genes (nodes) in genetic pathways (hyperedges).



LOPT: Learning Optimal Pigovian Tax in Sequential Social Dilemmas

Neural Information Processing Systems

Multi-agent reinforcement learning (MARL) has emerged as a powerful framework for modeling autonomous agents that independently optimize their individual objectives. However, in mixed-motive MARL environments, rational self-interested behaviors often lead to collectively suboptimal outcomes situations commonly referred to as social dilemmas. A key challenge in addressing social dilemmas lies in accurately quantifying and representing them in a numerical form that captures how self-interested agent behaviors impact social welfare. To address this challenge, externalities in the economic concept is adopted and extended to denote the unaccounted-for impact of one agent's actions on others, as a means to rigorously quantify social dilemmas. Based on this measurement, a novel method, Learning Optimal Pigovian Tax (LOPT) is proposed. Inspired by Pigovian taxes, which are designed to internalize externalities by imposing cost on negative societal impacts, LOPT employs an auxiliary tax agent that learns an optimal Pigovian tax policy to reshape individual rewards aligned with social welfare, thereby promoting agent coordination and mitigating social dilemmas. We support LOPT with theoretical analysis and validate it on standard MARL benchmarks, including Escape Room and Cleanup. Results show that by effectively internalizing externalities that quantify social dilemmas, LOPT aligns individual objectives with collective goals, significantly improving social welfare over state-of-the-art baselines.


PhysDrive: AMultimodal Remote Physiological Measurement Dataset for In-vehicle Driver Monitoring

Neural Information Processing Systems

Robust and unobtrusive in-vehicle physiological monitoring is crucial for ensuring driving safety and user experience. While remote physiological measurement (RPM) offers a promising non-invasive solution, its translation to real-world driving scenarios is critically constrained by the scarcity of comprehensive datasets. Existing resources are often limited in scale, modality diversity, the breadth of biometric annotations, and the range of captured conditions, thereby omitting inherent real-world challenges in driving. Here, we present PhysDrive, the first large-scale multimodal dataset for contactless in-vehicle physiological sensing with dedicated consideration of various modality settings and driving factors. PhysDrive collects data from 48 drivers, including synchronized RGB, near-infrared camera, and raw mmWave radar data, accompanied by six synchronized ground truths (ECG, BVP, Respiration, HR, RR, and SpO2). It covers a wide spectrum of naturalistic driving conditions, including driver motions, dynamic natural light, vehicle types, and road conditions. We extensively evaluate both signal-processing and deep-learning methods on PhysDrive, establishing a comprehensive benchmark across all modalities, and release full open-source code with compatibility for mainstream public toolboxes. We envision PhysDrive will serve as a foundational resource and accelerate research on multimodal driver monitoring and smart-cockpit systems.


Unlearned but Not Forgotten: Data Extraction after Exact Unlearning in LLM

Neural Information Processing Systems

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


GFM-RAG: Graph Foundation Model for Retrieval Augmented Generation

Neural Information Processing Systems

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 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.