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Existing reinforcement learning (RL) approaches treat large language models (LLMs) as a unified policy, overlooking their internal mechanisms. In this paper, we decompose the LLM-based policy into Internal Layer Policies and Internal…

Machine Learning · Computer Science 2026-02-03 Yuqiao Tan , Minzheng Wang , Shizhu He , Huanxuan Liao , Chengfeng Zhao , Qiunan Lu , Tian Liang , Jun Zhao , Kang Liu

Sample efficiency is a fundamental challenge in de novo molecular design. Ideally, molecular generative models should learn to satisfy a desired objective under minimal oracle evaluations (computational prediction or wet-lab experiment).…

Biomolecules · Quantitative Biology 2023-05-26 Jeff Guo , Philippe Schwaller

Large Language Models (LLMs) generate functionally correct solutions but often fall short in code efficiency, a critical bottleneck for real-world deployment. In this paper, we introduce a novel test-time iterative optimization framework to…

Software Engineering · Computer Science 2025-06-04 Mingzhe Du , Luu Anh Tuan , Yue Liu , Yuhao Qing , Dong Huang , Xinyi He , Qian Liu , Zejun Ma , See-kiong Ng

Group Relative Policy Optimization (GRPO) has been a key driver of recent progress in reinforcement learning with verifiable rewards (RLVR) for large language models, but it is typically trained in a low-staleness, near-on-policy regime…

Machine Learning · Computer Science 2026-05-19 Minghao Tian , Yunfei Xie , Chen Wei

LLM-powered embodied agents have shown success on conventional object-rearrangement tasks, but providing personalized assistance that leverages user-specific knowledge from past interactions presents new challenges. We investigate these…

Computation and Language · Computer Science 2026-02-16 Taeyoon Kwon , Dongwook Choi , Hyojun Kim , Sunghwan Kim , Seungjun Moon , Beong-woo Kwak , Kuan-Hao Huang , Jinyoung Yeo

Recent advances in large language models (LLMs) have popularized test-time scaling, where models generate additional reasoning tokens before producing final answers. These approaches have demonstrated significant performance improvements on…

Artificial Intelligence · Computer Science 2026-01-13 Wenxun Wu , Yuanyang Li , Guhan Chen , Linyue Wang , Hongyang Chen

Large language models (LLMs) have made significant advances in the field of natural language processing, but they still face challenges such as continuous decision-making, lack of long-term memory, and limited context windows in dynamic…

Computation and Language · Computer Science 2025-04-10 Xuechen Liang , Meiling Tao , Yinghui Xia , Jianhui Wang , Kun Li , Yijin Wang , Jingsong Yang , Tianyu Shi , Yuantao Wang , Miao Zhang , Xueqian Wang

LLM-based agents have seen promising advances, yet they are still limited in "hard-exploration" tasks requiring learning new knowledge through exploration. We present GLoW, a novel approach leveraging dual-scale world models, maintaining a…

Computation and Language · Computer Science 2025-10-01 Minsoo Kim , Seung-won Hwang

By integrating external knowledge, Retrieval-Augmented Generation (RAG) has become an effective strategy for mitigating the hallucination problems that large language models (LLMs) encounter when dealing with knowledge-intensive tasks.…

Computation and Language · Computer Science 2024-08-20 Ruizhe Zhang , Yongxin Xu , Yuzhen Xiao , Runchuan Zhu , Xinke Jiang , Xu Chu , Junfeng Zhao , Yasha Wang

Reinforcement learning (RL) has become a cornerstone for fine-tuning Large Language Models (LLMs), with Proximal Policy Optimization (PPO) serving as the de facto standard algorithm. Despite its ubiquity, we argue that the core ratio…

Machine Learning · Computer Science 2026-05-27 Penghui Qi , Xiangxin Zhou , Zichen Liu , Tianyu Pang , Chao Du , Min Lin , Wee Sun Lee

While learning to align Large Language Models (LLMs) with human preferences has shown remarkable success, aligning these models to meet the diverse user preferences presents further challenges in preserving previous knowledge. This paper…

Artificial Intelligence · Computer Science 2024-10-01 Gihun Lee , Minchan Jeong , Yujin Kim , Hojung Jung , Jaehoon Oh , Sangmook Kim , Se-Young Yun

Large Language Model (LLM) agents have demonstrated remarkable proficiency in learned tasks, yet they often struggle to adapt to non-stationary environments with feedback. While In-Context Learning and external memory offer some…

Artificial Intelligence · Computer Science 2026-03-05 Lu Yang , Zelai Xu , Minyang Xie , Jiaxuan Gao , Zhao Shok , Yu Wang , Yi Wu

Deep Research agents tackle knowledge-intensive tasks through multi-round retrieval and decision-oriented generation. While reinforcement learning (RL) has been shown to improve performance in this paradigm, its contributions remain…

Computation and Language · Computer Science 2026-02-24 Yinuo Xu , Shuo Lu , Jianjie Cheng , Meng Wang , Qianlong Xie , Xingxing Wang , Ran He , Jian Liang

Planning has been a cornerstone of artificial intelligence for solving complex problems, and recent progress in LLM-based multi-agent frameworks have begun to extend this capability. However, the role of human-like memory within these…

Multiagent Systems · Computer Science 2025-12-09 Wenzhe Fan , Ning Yan , Masood Mortazavi

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

Proximal Policy Optimization (PPO) is a widely used reinforcement learning algorithm known for its stability and sample efficiency, but it often suffers from premature convergence due to limited exploration. In this paper, we propose POEM…

Neural and Evolutionary Computing · Computer Science 2026-01-22 Casimir Czworkowski , Stephen Hornish , Alhassan S. Yasin

While Reinforcement Learning (RL) shows promise in training tool-use Large Language Models (LLMs) using verifiable outcome rewards, existing methods largely overlook the potential of reasoning rewards based on chain-of-thought quality for…

Computation and Language · Computer Science 2026-01-16 Zihan Lin , Xiaohan Wang , Hexiong Yang , Jiajun Chai , Jie Cao , Guojun Yin , Wei Lin , Ran He

Since the release of Deepseek-R1, reinforcement learning with verifiable rewards (RLVR) has become a central approach for training large language models (LLMs) on reasoning tasks. Recent work has largely focused on modifying loss functions…

Machine Learning · Computer Science 2025-10-03 Weizhe Chen , Sven Koenig , Bistra Dilkina

Recently, preference optimization methods such as DPO have significantly enhanced large language models (LLMs) in wide tasks including dialogue and question-answering. However, current methods fail to account for the varying difficulty…

Computation and Language · Computer Science 2024-12-31 Jingyuan Ma , Rui Li , Zheng Li , Lei Sha , Zhifang Sui

Human preference alignment is essential to improve the interaction quality of large language models (LLMs). Existing alignment methods depend on manually annotated preference data to guide the LLM optimization directions. However,…

Computation and Language · Computer Science 2024-06-04 Pengyu Cheng , Yifan Yang , Jian Li , Yong Dai , Tianhao Hu , Peixin Cao , Nan Du , Xiaolong Li
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