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 Deep Learning


Gradient Alignment in Physics-informed Neural Networks: A Second-Order Optimization Perspective

Neural Information Processing Systems

Physics-informed neural networks (PINNs) have shown significant promise in computational science and engineering, yet they often face optimization challenges and limited accuracy. In this work, we identify directional gradient conflicts during PINN training as a critical bottleneck. We introduce a novel gradient alignment score to systematically diagnose this issue through both theoretical analysis and empirical experiments. Building on these insights, we show that (quasi) second-order optimization methods inherently mitigate gradient conflicts, thereby consistently outperforming the widely used Adam optimizer. Among them, we highlight the effectiveness of SOAP \cite{vyas2024soap} by establishing its connection to Newton's method. Empirically, SOAP achieves state-of-the-art results on 10 challenging PDE benchmarks, including the first successful application of PINNs to turbulent flows at Reynolds numbers up to 10,000. It yields 2-10x accuracy improvements over existing methods while maintaining computational scalability, advancing the frontier of neural PDE solvers for real-world, multi-scale physical systems.


Video-RAG: Visually-aligned Retrieval-Augmented Long Video Comprehension

Neural Information Processing Systems

To address this problem, fine-tuning long-context LVLMs and employing GPT-based agents have emerged as promising solutions. However, fine-tuning LVLMs would require extensive high-quality data and substantial GPU resources, while GPT-based agents would rely on proprietary models (e.g., GPT-4o). In this paper, we propose Video Retrieval-Augmented Generation (Video-RAG), a training-free and cost-effective pipeline that employs visually-aligned auxiliary texts to help facilitate cross-modality alignment while providing additional information beyond the visual content. Specifically, we leverage open-source external tools to extract visually-aligned information from pure video data (e.g., audio, optical character, and object detection), and incorporate the extracted information into an existing LVLM as auxiliary texts, alongside video frames and queries, in a plug-and-play manner. Our Video-RAG offers several key advantages: (i) lightweight with low computing overhead due to single-turn retrieval; (ii) easy implementation and compatibility with any LVLM; and (iii) significant, consistent performance gains across long video understanding benchmarks, including Video-MME, MLVU, and LongVideoBench. Notably, our model demonstrates superior performance over proprietary models like Gemini-1.5-Pro


Beyond Components: Singular Vector-Based Interpretability of Transformer Circuits

Neural Information Processing Systems

Transformer-based language models exhibit complex and distributed behavior, yet their internal computations remain poorly understood. Existing mechanistic interpretability methods typically treat attention heads and multilayer perceptron layers (MLPs) (the building blocks of a transformer architecture) as indivisible units, overlooking possibilities of functional substructure learned within them. In this work, we introduce a more fine-grained perspective that decomposes these components into orthogonal singular directions, revealing superposed and independent computations within a single head or MLP. We validate our perspective on widely used standard tasks like Indirect Object Identification (IOI), Gender Pronoun (GP), and Greater Than (GT), showing that previously identified canonical functional heads, such as the "name mover," encode multiple overlapping subfunctions aligned with distinct singular directions. Nodes in a computational graph, that are previously identified as circuit elements show strong activation along specific low-rank directions, suggesting that meaningful computations reside in compact subspaces. While some directions remain challenging to interpret fully, our results highlight that transformer computations are more distributed, structured, and compositional than previously assumed. This perspective opens new avenues for fine-grained mechanistic interpretability and a deeper understanding of model internals.


KVzip: Query-Agnostic KV Cache Compression with Context Reconstruction

Neural Information Processing Systems

As context length grows, KV cache sizes expand, leading to substantial memory overhead and increased attention latency. This paper introduces \textit{KVzip}, a query-agnostic KV cache eviction method enabling effective reuse of compressed KV caches across diverse queries. KVzip quantifies the importance of a KV pair using the underlying LLM to reconstruct original contexts from cached KV pairs, subsequently evicting pairs with lower importance. Extensive empirical evaluations demonstrate that KVzip reduces KV cache size by $3$-$4\times$ and FlashAttention decoding latency by approximately $2\times$, with negligible performance loss in question-answering, retrieval, reasoning, and code comprehension tasks. Evaluations include various models such as LLaMA3.1,


Provably Efficient Online RLHF with One-Pass Reward Modeling

Neural Information Processing Systems

Reinforcement Learning from Human Feedback (RLHF) has shown remarkable success in aligning Large Language Models (LLMs) with human preferences. Traditional RLHF methods rely on a fixed dataset, which often suffers from limited coverage. To this end, online RLHF has emerged as a promising direction, enabling iterative data collection and refinement. Despite its potential, this paradigm faces a key bottleneck: the requirement to continuously integrate new data into the dataset and re-optimize the model from scratch at each iteration, resulting in computational and storage costs that grow linearly with the number of iterations. In this work, we address this challenge by proposing a reward modeling method that eliminates the need to store historical data and achieves constant-time updates per iteration. Specifically, we first formalize RLHF as a contextual preference bandit and develop a new algorithm based on online mirror descent with a tailored local norm, replacing the standard maximum likelihood estimation for reward modeling. We then apply it to various online RLHF settings, including passive data collection, active data collection, and deployment-time adaptation. We provide theoretical guarantees showing that our method enhances both statistical and computational efficiency.


Beyond Expectations: Quantile-Guided Alignment for Risk-Calibrated Language Models

Neural Information Processing Systems

Large language models can generate rare but catastrophic outputs, such as harmful conversations or insecure code. Existing Reinforcement Learning from Human Feedback (RLHF) typically maximizes average reward, leaving high-risk tail events insufficiently controlled. We introduce Quantile Guided Alignment (QA), a framework that allows users to specify desired improvements at any quantile--individually or across multiple reward dimensions--thus shifting the distribution of outputs with finer control toward safer, more desirable outcomes. The method extends standard RLHF via an augmented reward formulation that enforces quantile constraints. Experiments on conversation and code generation tasks show that quantile alignment significantly enhances quality at targeted tails while maintaining overall performance. The results position QA as a principled route to risk calibrated language models with tail focused alignment.


Self-Refining Language Model Anonymizers via Adversarial Distillation

Neural Information Processing Systems

Large language models (LLMs) are increasingly used in sensitive domains, where their ability to infer personal data from seemingly benign text introduces emerging privacy risks. While recent LLM-based anonymization methods help mitigate such risks, they often rely on proprietary models (e.g., GPT-4), raising concerns about cost and the potential exposure of sensitive data to untrusted external systems. To address this, we introduce $\textit{SElf-refining Anonymization with Language model}$ (SEAL), a novel distillation framework for training small language models (SLMs) to perform effective anonymization without relying on external models at inference time. SEAL leverages adversarial interactions between an LLM anonymizer and an inference model to collect trajectories of anonymized texts and inferred attributes, which are then used to distill anonymization and critique capabilities into SLMs through supervised fine-tuning and preference learning. The resulting models learn both to anonymize text and to evaluate their outputs, enabling iterative improvement of anonymization quality via self-refinement. Experiments on SynthPAI, a dataset of synthetic personal profiles and text comments, demonstrate that SLMs trained with SEAL achieve substantial improvements in anonymization capabilities. Notably, 8B models attain a privacy-utility trade-off comparable to that of the GPT-4 anonymizer and, with self-refinement, even surpass it in terms of privacy protection.


SimWorld: An Open-ended Simulator for Agents in Physical and Social Worlds

Neural Information Processing Systems

While LLM/VLM-powered AI agents have advanced rapidly in math, coding, and computer use, their applications in complex physical and social environments remain challenging. Building agents that can survive and thrive in the real world (e.g., by autonomously earning income) requires massive-scale interaction, reasoning, training, and evaluation across diverse scenarios. However, existing world simulators for such development fall short: they often rely on limited hand-crafted environments, simulate simplified game-like physics and social rules, and lack native support for LLM/VLM agents. We introduce SimWorld, a new simulator built on Unreal Engine 5, designed for developing and evaluating LLM/VLM agents in rich, real-world-like settings. SimWorld offers three core capabilities: (1) realistic, open-ended world simulation, including accurate physical and social dynamics and language-driven procedural environment generation; (2) rich interface for LLM/VLM agents, with multi-modal world inputs/feedback and open-vocabulary action outputs at varying levels of abstraction; and (3) diverse physical and social reasoning scenarios that are easily customizable by users. We demonstrate SimWorld by deploying frontier LLM agents (e.g., Gemini-2.5-Flash,


Avoiding exp(R) scaling in RLHF through Preference-based Exploration

Neural Information Processing Systems

Reinforcement Learning from Human Feedback (RLHF) has emerged as a pivotal technique for large language model (LLM) alignment. This paper studies the setting of online RLHF and focuses on improving its sample efficiency. All existing algorithms for online RLHF, whether doing passive exploration or active exploration, suffer from a sample complexity that scales exponentially with the range of the reward function. This statistical inefficiency hinders their effectiveness in scenarios with heavily skewed preferences, e.g.


RBench-V: A Primary Assessment for Visual Reasoning Models with Multimodal Outputs

Neural Information Processing Systems

The rapid advancement of native multi-modal models and omni-models, exemplified by GPT-4o, Gemini and o3 with their capability to process and generate content across modalities such as text and images, marks a significant milestone in the evolution of intelligence. Systematic evaluation of their multi-modal output capabilities in visual thinking process (a.k.a., multi-modal chain of thought, M-CoT) becomes critically important. However, existing benchmarks for evaluating multi-modal models primarily focus on assessing multi-modal inputs and text-only reasoning process while neglecting the importance of reasoning through multi-modal outputs. In this paper, we present a benchmark, dubbed as RBench-V, designed to assess models' vision-indispensable reasoning. To conduct RBench-V, we carefully hand-pick 803 questions covering math, physics, counting and games. Unlike problems in previous benchmarks, which typically specify certain input modalities, RBench-V presents problems centered on multi-modal outputs, which require image manipulation, such as generating novel images and constructing auxiliary lines to support reasoning process. We evaluate numerous open-and closed-source models on RBench-V, including o3, Gemini 2.5 pro, Qwen2.5-VL,