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 Large Language Model


Lost in Transmission: When and Why LLMs Fail to Reason Globally

Neural Information Processing Systems

Despite their many successes, transformer-based large language models (LLMs) continue to struggle with tasks that require complex reasoning over large parts of their input. We argue that these failures arise due to capacity limits on the accurate flow of information within LLMs. To formalize this issue, we introduce the bounded attention prefix oracle (BAPO) model, a new computational framework that models bandwidth constraints on attention heads, the mechanism for internal communication in LLMs. We show that several important reasoning problems like graph reachability require high communication bandwidth for BAPOs to solve; we call these problems BAPO-hard. Our experiments corroborate our theoretical predictions: GPT-4o, Claude, and Gemini succeed on BAPO-easy tasks and fail even on relatively small BAPO-hard tasks. BAPOs also reveal another benefit of chain of thought (CoT): we prove that breaking down a task using CoT can turn any BAPO-hard problem into a BAPO-easy one. Our results offer principled explanations for key LLM failures and suggest directions for architectures and inference methods that mitigate bandwidth limits.


DeepVideo-R1: Video Reinforcement Fine-Tuning via Difficulty-aware Regressive GRPO

Neural Information Processing Systems

Recent works have demonstrated the effectiveness of reinforcement learning (RL)-based post-training for enhancing the reasoning capabilities of large language models (LLMs). In particular, Group Relative Policy Optimization (GRPO) has shown impressive success using a PPO-style reinforcement learning algorithm with group-normalized rewards. However, the effectiveness of GRPO in Video Large Language Models (VideoLLMs) remains underexplored. In this paper, we explore GRPO and identify two issues that hinder effective learning: (1) reliance on safeguards, and (2) vanishing advantage. To mitigate these challenges, we propose DeepVideo-R1, a video large language model trained with Reg-GRPO (Regressive GRPO) and difficulty-aware data augmentation. Reg-GRPO reformulates the GRPO loss function as a regression task that directly predicts the advantage in GRPO, eliminating the need for safeguards such as clipping and min operations. This directly aligns the model with the advantages, providing guidance to prefer better outputs. The difficulty-aware data augmentation strategy augments input prompts/videos to target solvable difficulty levels, enabling diverse reward signals. Our experimental results show that our approach significantly improves video reasoning performance across multiple benchmarks.


AttentionPredictor: Temporal Patterns Matter for KV Cache Compression

Neural Information Processing Systems

With the development of large language models (LLMs), efficient inference through Key-Value (KV) cache compression has attracted considerable attention, especially for long-context generation. To compress the KV cache, recent methods identify critical KV tokens through static modeling of attention scores. However, these methods often struggle to accurately determine critical tokens as they neglect the *temporal patterns* in attention scores, resulting in a noticeable degradation in LLM performance. To address this challenge, we propose **AttentionPredictor**, which is the **first learning-based method to directly predict attention patterns for KV cache compression and critical token identification**. Specifically, AttentionPredictor learns a lightweight, unified convolution model to dynamically capture spatiotemporal patterns and predict the next-token attention scores. An appealing feature of AttentionPredictor is that it accurately predicts the attention score and shares the unified prediction model, which consumes negligible memory, among all transformer layers. Moreover, we propose a cross-token critical cache prefetching framework that hides the token estimation time overhead to accelerate the decoding stage. By retaining most of the attention information, AttentionPredictor achieves **13$\times$** KV cache compression and **5.6$\times$** speedup in a cache offloading scenario with comparable LLM performance, significantly outperforming the state-of-the-arts.


AgentDAM: Privacy Leakage Evaluation for Autonomous Web Agents

Neural Information Processing Systems

Autonomous AI agents that can follow instructions and perform complex multi-step tasks have tremendous potential to boost human productivity. However, to perform many of these tasks, the agents need access to personal information from their users, raising the question of whether they are capable of using it appropriately.


Task-Specific Data Selection for Instruction Tuning via Monosemantic Neuronal Activations

Neural Information Processing Systems

Instruction tuning improves the ability of large language models (LLMs) to follow diverse human instructions, but achieving strong performance on specific target tasks remains challenging. A critical bottleneck is selecting the most relevant data to maximize task-specific performance. Existing data selection approaches include unstable influence-based methods and more stable distribution alignment methods, the latter of which critically rely on the underlying sample representation. In practice, most distribution alignment methods, from shallow features (e.g., BM25) to neural embeddings (e.g., BGE, LLM2Vec), may fail to capture how the model internally processes samples. To bridge this gap, we adopt a model-centric strategy in which each sample is represented by its neuronal activation pattern in the model, directly reflecting internal computation. However, directly using raw neuron activations leads to spurious similarity between unrelated samples due to neuron polysemanticity, where a single neuron may respond to multiple, unrelated concepts. To address this, we employ sparse autoencoders to disentangle polysemantic activations into sparse, monosemantic representations, and introduce a dedicated similarity metric for this space to better identify task-relevant data. Comprehensive experiments across multiple instruction datasets, models, tasks, and selection ratios show that our approach consistently outperforms existing data selection baselines in both stability and task-specific performance.


MPS-Prover: Advancing Stepwise Theorem Proving by Multi-Perspective Search and Data Curation

Neural Information Processing Systems

Automated Theorem Proving (ATP) in formal languages remains a formidable challenge in AI, demanding rigorous logical deduction and navigating vast search spaces. While large language models (LLMs) have shown promising performance, existing stepwise provers often suffer from biased search guidance, leading to inefficiencies and suboptimal proof strategies. This paper introduces the Multi-Perspective Search Prover (MPS-Prover), a novel stepwise ATP system designed to overcome these limitations. MPS-Prover incorporates two key innovations: a highly effective post-training data curation strategy that prunes approximately 40\% of redundant training data without sacrificing performance, and a multi-perspective tree search mechanism. This search integrates a learned critic model with strategically designed heuristic rules to diversify tactic selection, prevent getting trapped in unproductive states, and enhance search robustness. Extensive evaluations demonstrate that MPS-Prover achieves state-of-the-art performance on multiple challenging benchmarks, including miniF2F and ProofNet, outperforming prior 7B parameter models. Furthermore, our analyses reveal that MPS-Prover generates significantly shorter and more diverse proofs compared to existing stepwise and whole-proof methods, highlighting its efficiency and efficacy. Our work advances the capabilities of LLM-based formal reasoning and offers a robust framework and a comprehensive analysis for developing more powerful theorem provers.


MokA: Multimodal Low-Rank Adaptation for MLLMs

Neural Information Processing Systems

In this paper, we reveal that most current efficient multimodal fine-tuning methods are hindered by a key limitation: they are directly borrowed from LLMs, often neglecting the intrinsic differences of multimodal scenarios and even affecting the full utilization of all modalities. Inspired by our empirical observation, we argue that unimodal adaptation and cross-modal adaptation are two essential parts for the effective fine-tuning of MLLMs. From this perspective, we propose Multimodal Low-rank Adaptation (MokA), a multimodal-aware efficient fine-tuning strategy that takes multimodal characteristics into consideration.


URLs Help, Topics Guide: Understanding Metadata Utility in LLM Training

Neural Information Processing Systems

Large Language Models (LLMs) are commonly pretrained on vast corpora of text without utilizing contextual metadata such as source, quality, or topic, leading to a context-free learning paradigm. While recent studies suggest that adding metadata like URL information as context (i.e., auxiliary inputs not used in the loss calculation) can improve training efficiency and downstream performance, they offer limited understanding of which types of metadata are truly effective and under what conditions. In this work, we conduct a systematic evaluation and find that not all metadata types contribute equally.


On the Robustness of Verbal Confidence of LLMs in Adversarial Attacks

Neural Information Processing Systems

Robust verbal confidence generated by large language models (LLMs) is crucial for the deployment of LLMs to help ensure transparency, trust, and safety in many applications, including those involving human-AI interactions. In this paper, we present the first comprehensive study on the robustness of verbal confidence under adversarial attacks. We introduce attack frameworks targeting verbal confidence scores through both perturbation and jailbreak-based methods, and demonstrate that these attacks can significantly impair verbal confidence estimates and lead to frequent answer changes. We examine a variety of prompting strategies, model sizes, and application domains, revealing that current verbal confidence is vulnerable and that commonly used defence techniques are largely ineffective or counterproductive. Our findings underscore the need to design robust mechanisms for confidence expression in LLMs, as even subtle semantic-preserving modifications can lead to misleading confidence in responses.


Efficient Training-Free Online Routing for High-Volume Multi-LLM Serving

Neural Information Processing Systems

Increasing demand for Large Language Models (LLMs) services imposes substantial deployment and computation costs on providers. LLM routing offers a cost-efficient solution by directing queries to the optimal LLM based on model and query features. However, existing works primarily focus on offline scenarios and struggle to adapt to online settings with high query volume and constrained token budgets. In this work, we introduce the first training-free algorithm for online routing scenarios. Our algorithm leverages approximate nearest neighbor search to efficiently estimate the features of queries and performs a one-time optimization over a small set of initial queries to learn a set of routing weights that guide future routing. We provide a theoretical guarantee that the algorithm achieves a competitive ratio of $1 - o(1)$ under natural assumptions, which is further validated by extensive experiments across 3 benchmark datasets and 8 baselines, showing an average improvement of 3.55$\times$ in performance, 1.85$\times$ in cost efficiency, and nearly 4.25$\times$ in throughput. Our code is available at https://github.com/fzwark/PORT.