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 Large Language Model


SE-Agent: Self-Evolution Trajectory Optimization in Multi-Step Reasoning with LLM-Based Agents

Neural Information Processing Systems

Large Language Model (LLM)-based agents have recently shown impressive capabilities in complex reasoning and tool use via multi-step interactions with their environments. While these agents have the potential to tackle complicated tasks, their problem-solving process--agents' interaction trajectory leading to task completion--remains underexploited. These trajectories contain rich feedback that can navigate agents toward the right directions for solving problems correctly. Although prevailing approaches, such as Monte Carlo Tree Search (MCTS), can effectively balance exploration and exploitation, they ignore the interdependence among various trajectories and lack the diversity of search spaces, which leads to redundant reasoning and suboptimal outcomes. To address these challenges, we propose SE-Agent, a Self-Evolution framework that enables Agents to optimize their reasoning processes iteratively.


Delving into RL for Image Generation with CoT: A Study on DPO vs. GRPO

Neural Information Processing Systems

Recent advancements underscore the significant role of Reinforcement Learning (RL) in enhancing the Chain-of-Thought (CoT) reasoning capabilities of large language models (LLMs). Two prominent RL algorithms, Direct Preference Optimization (DPO) and Group Relative Policy Optimization (GRPO), are central to these developments, showcasing different pros and cons. Autoregressive image generation, also interpretable as a sequential CoT reasoning process, presents unique challenges distinct from LLM-based CoT reasoning. These encompass ensuring text-image consistency, improving image aesthetic quality, and designing sophisticated reward models, rather than relying on simpler rule-based rewards. While recent efforts have extended RL to this domain, these explorations typically lack an in-depth analysis of the domain-specific challenges and the characteristics of different RL strategies.


Causal Head Gating: A Framework for Interpreting Roles of Attention Heads in Transformers

Neural Information Processing Systems

We present causal head gating (CHG), a scalable method for interpreting the functional roles of attention heads in transformer models. CHG learns soft gates over heads and assigns them a causal taxonomy--facilitating, interfering, or irrelevant--based on their impact on task performance. Unlike prior approaches in mechanistic interpretability, which are hypothesis-driven and require prompt templates or target labels, CHG applies directly to any dataset using standard next-token prediction. We evaluate CHG across multiple large language models (LLMs) in the Llama 3 model family and diverse tasks, including syntax, commonsense, and mathematical reasoning, and show that CHG scores yield causal, not merely correlational, insight validated via ablation and causal mediation analyses. We also introduce contrastive CHG, a variant that isolates sub-circuits for specific task components. Our findings reveal that LLMs contain multiple sparse task-sufficient sub-circuits, that individual head roles depend on interactions with others (low modularity), and that instruction following and in-context learning rely on separable mechanisms.


Memory Decoder: A Pretrained, Plug-and-Play Memory for Large Language Models

Neural Information Processing Systems

Large Language Models (LLMs) have shown strong abilities in general language tasks, yet adapting them to specific domains remains a challenge. Current method like Domain Adaptive Pretraining (DAPT) requires costly full-parameter training and suffers from catastrophic forgetting. Meanwhile, Retrieval-Augmented Generation (RAG) introduces substantial inference latency due to expensive nearest-neighbor searches and longer context. This paper introduces \textit{Memory Decoder}, a plug-and-play pretrained memory that enables efficient domain adaptation without changing the original model's parameters. Memory Decoder employs a small transformer decoder that learns to imitate the behavior of an external non-parametric retriever. Once trained, Memory Decoder can be seamlessly integrated with any pretrained language model that shares the same tokenizer, requiring no model-specific modifications. Experimental results demonstrate that Memory Decoder enables effective adaptation of various Qwen and Llama models to three distinct specialized domains: biomedicine, finance, and law, reducing perplexity by an average of 6.17 points. Overall, Memory Decoder introduces a novel paradigm centered on a specially pretrained memory component designed for domain-specific adaptation. This memory architecture can be integrated in a plug-and-play manner, consistently enhancing performance across multiple models within the target domain.


Skrull: Towards Efficient Long Context Fine-tuning through Dynamic Data Scheduling

Neural Information Processing Systems

Long-context supervised fine-tuning (Long-SFT) plays a vital role in enhancing the performance of large language models (LLMs) on long-context tasks. To smoothly adapt LLMs to long-context scenarios, this process typically entails training on mixed datasets containing both long and short sequences. However, this heterogeneous sequence length distribution poses significant challenges for existing training systems, as they fail to simultaneously achieve high training efficiency for both long and short sequences, resulting in sub-optimal end-to-end system performance in Long-SFT. In this paper, we present a novel perspective on data scheduling to address the challenges posed by the heterogeneous data distributions in Long-SFT. We propose Skrull, a dynamic data scheduler specifically designed for efficient long-SFT.


Highlighting What Matters: Promptable Embeddings for Attribute-Focused Image Retrieval

Neural Information Processing Systems

While an image is worth more than a thousand words, only a few provide crucial information for a given task and thus should be focused on. In light of this, ideal text-to-image (T2I) retrievers should prioritize specific visual attributes relevant to queries. To evaluate current retrievers on handling attribute-focused queries, we build COCO-Facet, a COCO-based benchmark with 9,112 queries about diverse attributes of interest. We find that CLIP-like retrievers, which are widely adopted due to their efficiency and zero-shot ability, have poor and imbalanced performance, possibly because their image embeddings focus on global semantics and subjects while leaving out other details. Notably, we reveal that even recent Multimodal Large Language Model (MLLM)-based, stronger retrievers with a larger output dimension struggle with this limitation. Hence, we hypothesize that retrieving with image embeddings is suboptimal for performing such queries. As a solution, we propose to use image embeddings enabled by these multimodal retrievers, which boost performance by highlighting required attributes.


Improving Model-Based Reinforcement Learning by Converging to Flatter Minima

Neural Information Processing Systems

Model-based reinforcement learning (MBRL) hinges on a learned dynamics model whose errors can compound along imagined rollouts. We study how encouraging \emph{flatness} in the model's training loss affects downstream control, and show that steering optimization toward flatter minima yields a better policy. Concretely, we integrate \emph{Sharpness-Aware Minimization} (SAM) into world-model training as a drop-in objective, leaving the planner and policy components unchanged. On the theory side, we derive PAC-Bayesian bounds that link first-order sharpness to the value-estimation gap and the performance gap between model-optimal and true-optimal policies, implying that flatter minima tighten both. Empirically, SAM reduces measured sharpness and value-prediction error and improves returns across HumanoidBench, Atari-100k, and high-DoF DeepMind Control tasks. Augmenting existing MBRL algorithms with SAM increases mean return, with especially large gains in settings with high dimensional state-action space. We further observe positive transfer across algorithms and input modalities, including a transformer-based world-model.


Differentially Private Federated Low Rank Adaptation Beyond Fixed-Matrix

Neural Information Processing Systems

Large language models (LLMs) typically require fine-tuning for domain-specific tasks, and LoRA offers a computationally efficient approach by training low-rank adaptors. LoRA is also communication-efficient for federated LLMs when multiple users collaboratively fine-tune a global LLM model without sharing their proprietary raw data.


Heterogeneous Swarms: Jointly Optimizing Model Roles and Weights for Multi-LLM Systems

Neural Information Processing Systems

We propose Heterogeneous Swarms, an algorithm to design multi-LLM systems by jointly optimizing model roles and weights. We represent multi-LLM systems as directed acyclic graphs (DAGs) of LLMs with topological message passing for collaborative generation. Given a pool of LLM experts and a utility function, Heterogeneous Swarms employs two iterative steps: role-step and weight-step. For role-step, we interpret model roles as learning a DAG that specifies the flow of inputs and outputs between LLMs. Starting from a swarm of random continuous adjacency matrices, we decode them into discrete DAGs, call the LLMs in topological order, evaluate on the utility function (e.g.


Understanding and Rectifying Safety Perception Distortion in VLMs

Neural Information Processing Systems

Recent studies reveal that vision-language models (VLMs) become more susceptible to harmful requests and jailbreak attacks after integrating the vision modality, exhibiting greater vulnerability than their text-only LLM backbones. To uncover the root cause of this phenomenon, we conduct an in-depth analysis and identify a key issue: multimodal inputs introduce an modality-induced activation shift toward a "safer" direction compared to their text-only counterparts, leading VLMs to systematically overestimate the safety of harmful inputs. We refer to this issue as safety perception distortion. To mitigate such distortion, we propose Activation Shift Disentanglement and Calibration (ShiftDC), a training-free method that decomposes and calibrates the modality-induced activation shift to reduce its impact on safety.