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Reinforcement learning (RL) has emerged as a key paradigm for aligning and optimizing large language models (LLMs). Standard approaches treat the LLM as the policy and apply RL directly over the full vocabulary space. However, this…

Machine Learning · Computer Science 2026-02-17 Jing-Cheng Pang , Liang Lu , Xian Tang , Kun Jiang , Sijie Wu , Kai Zhang , Xubin Li

Service system performance depends on how participants respond to design choices, but modeling these responses is hard due to the complexity of human behavior. We introduce an LLM-powered multi-agent simulation (LLM-MAS) framework for…

Artificial Intelligence · Computer Science 2026-04-07 Yanyuan Wang , Xiaowei Zhang

AI agents could accelerate scientific discovery by automating hypothesis formation, experiment design, coding, execution, and analysis, yet existing benchmarks probe narrow skills in simplified settings. To address this gap, we introduce…

When an LLM-based agent improves on a task, is the gain from the model itself or from the reasoning paradigm wrapped around it? We study this question by comparing six inference-time paradigms, namely Direct, CoT, ReAct, Plan-Execute,…

Agentic reinforcement learning (RL) for Large Language Models (LLMs) critically depends on the exploration capability of the base policy, as training signals emerge only within its in-capability region. For tasks where the base policy…

Computation and Language · Computer Science 2026-05-13 Yuxiang Ji , Zengbin Wang , Yong Wang , Shidong Yang , Ziyu Ma , Guanhua Chen , Zonghua Sun , Liaoni Wu , Xiangxiang Chu

Tool learning empowers large language models (LLMs) as agents to use external tools and extend their utility. Existing methods employ one single LLM-based agent to iteratively select and execute tools, thereafter incorporating execution…

Computation and Language · Computer Science 2024-06-25 Zhengliang Shi , Shen Gao , Xiuyi Chen , Yue Feng , Lingyong Yan , Haibo Shi , Dawei Yin , Pengjie Ren , Suzan Verberne , Zhaochun Ren

Recent advances in large language models (LLMs) have led to significant progress in robotics, enabling embodied agents to better understand and execute open-ended tasks. However, existing approaches using LLMs face limitations in grounding…

Robotics · Computer Science 2025-04-29 Émiland Garrabé , Pierre Teixeira , Mahdi Khoramshahi , Stéphane Doncieux

Large Language Models (LLMs) have shown promise in assisting molecular property prediction tasks but often rely on human-crafted prompts and chain-of-thought templates. While recent advanced large reasoning models like DeepSeek-R1 employ…

Machine Learning · Computer Science 2026-01-21 Xuan Lin , Long Chen , Yile Wang

Recent studies have uncovered the potential of Large Language Models (LLMs) in addressing complex sequential decision-making tasks through the provision of high-level instructions. However, LLM-based agents lack specialization in tackling…

Artificial Intelligence · Computer Science 2024-05-28 Zihao Zhou , Bin Hu , Chenyang Zhao , Pu Zhang , Bin Liu

Vision-language-action (VLA) reasoning tasks require agents to interpret multimodal instructions, perform long-horizon planning, and act adaptively in dynamic environments. Existing approaches typically train VLA models in an end-to-end…

Computer Vision and Pattern Recognition · Computer Science 2025-09-19 Chi-Pin Huang , Yueh-Hua Wu , Min-Hung Chen , Yu-Chiang Frank Wang , Fu-En Yang

This paper introduces a novel Large Language Models (LLMs)-assisted agent that automatically converts natural-language descriptions of power system optimization scenarios into compact, solver-ready formulations and generates corresponding…

Artificial Intelligence · Computer Science 2025-08-12 Yunkai Hu , Tianqiao Zhao , Meng Yue

Data selection for finetuning Large Language Models (LLMs) can be framed as a budget-constrained optimization problem: maximizing a model's downstream performance under a strict training data budget. Solving this problem is generally…

Machine Learning · Computer Science 2025-10-01 Animesh Jha , Harshit Gupta , Ananjan Nandi

StarCraft Multi-Agent Challenge (SMAC) has been one of the most commonly used experimental environments in multi-agent reinforcement learning (MARL), where the specific task is to control a set number of allied units to defeat enemy forces.…

Artificial Intelligence · Computer Science 2025-03-07 Yue Deng , Weiyu Ma , Yuxin Fan , Ruyi Song , Yin Zhang , Haifeng Zhang , Jian Zhao

Large language models (LLMs) are becoming increasingly applied beyond natural language processing, demonstrating strong capabilities in complex scientific tasks that traditionally require human expertise. This progress has extended into…

Materials Science · Physics 2026-02-26 Dong Hyeon Mok , Seoin Back , Victor Fung , Guoxiang Hu

The inherent uncertainty in the environmental transition model of Reinforcement Learning (RL) necessitates a delicate balance between exploration and exploitation. This balance is crucial for optimizing computational resources to accurately…

Machine Learning · Computer Science 2025-05-21 Yongxin Deng , Xihe Qiu , Jue Chen , Xiaoyu Tan

Large language model (LLM) agents -- LLMs that dynamically interact with an environment over long horizons -- have become an increasingly important area of research, enabling automation in complex tasks involving tool-use, web browsing, and…

Machine Learning · Computer Science 2026-02-04 Joey Hong , Kang Liu , Zhan Ling , Jiecao Chen , Sergey Levine

Learning from preference-based feedback has become an effective approach for aligning LLMs across diverse tasks. However, high-quality human-annotated preference data remains expensive and scarce. Existing methods address this challenge…

Computation and Language · Computer Science 2026-04-21 Ruiyao Xu , Mihir Parmar , Tiankai Yang , Zhengyu Hu , Yue Zhao , Kaize Ding

Large Language Models (LLMs) are increasingly being explored for building Agents capable of active environmental interaction (e.g., via tool use) to solve complex problems. Reinforcement Learning (RL) is considered a key technology with…

Computation and Language · Computer Science 2025-11-19 Mingyue Cheng , Jie Ouyang , Shuo Yu , Ruiran Yan , Yucong Luo , Zirui Liu , Daoyu Wang , Qi Liu , Enhong Chen

Prompt engineering significantly influences the reliability and clinical utility of Large Language Models (LLMs) in medical applications. Current optimization approaches inadequately address domain-specific medical knowledge and safety…

Computation and Language · Computer Science 2025-08-26 Yinda Chen , Yangfan He , Jing Yang , Dapeng Zhang , Zhenlong Yuan , Muhammad Attique Khan , Jamel Baili , Por Lip Yee

Recently, utilizing reinforcement learning (RL) to generate molecules with desired properties has been highlighted as a promising strategy for drug design. A molecular docking program - a physical simulation that estimates protein-small…

Quantitative Methods · Quantitative Biology 2021-10-28 Soojung Yang , Doyeong Hwang , Seul Lee , Seongok Ryu , Sung Ju Hwang