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The convergence of artificial intelligence and materials science presents a transformative opportunity, but achieving true acceleration in discovery requires moving beyond task-isolated, fine-tuned models toward agentic systems that plan,…

Large Language Model (LLM) agents represent a promising shift in human-AI interaction, moving beyond passive prompt-response systems to autonomous agents capable of reasoning, planning, and goal-directed action. While LLM agents are…

Computation and Language · Computer Science 2026-02-06 Weiwen Liu , Jiarui Qin , Xu Huang , Xingshan Zeng , Yunjia Xi , Jianghao Lin , Chuhan Wu , Yasheng Wang , Lifeng Shang , Ruiming Tang , Defu Lian , Yong Yu , Weinan Zhang

Reinforcement Learning (RL) is essential for evolving Large Language Models (LLMs) into autonomous agents capable of long-horizon planning, yet a practical recipe for scaling RL in complex, multi-turn environments remains elusive. This…

Machine Learning · Computer Science 2026-03-24 Xixi Wu , Qianguo Sun , Ruiyang Zhang , Chao Song , Junlong Wu , Yiyan Qi , Hong Cheng

Understanding and reasoning over tables is a critical capability for many real-world applications. Large language models (LLMs) have shown promise on this task, but current approaches remain limited. Fine-tuning based methods strengthen…

We study why Tool-Integrated Reasoning (TIR) makes Large Language Models (LLMs) more capable. While LLMs integrated with tools like Python code interpreters show great promise, a principled theory explaining why this paradigm is effective…

Machine Learning · Computer Science 2025-08-27 Heng Lin , Zhongwen Xu

Retrieval-Augmented Generation (RAG) has emerged as a powerful framework to overcome the knowledge limitations of Large Language Models (LLMs) by integrating external retrieval with language generation. While early RAG systems based on…

Artificial Intelligence · Computer Science 2025-06-13 Jintao Liang , Gang Su , Huifeng Lin , You Wu , Rui Zhao , Ziyue Li

The rapid rise of large language models (LLMs) has shifted artificial intelligence (AI) research toward agentic systems, motivating the use of weaker and more flexible notions of agency. However, this shift raises key questions about the…

Artificial Intelligence · Computer Science 2025-10-27 Vince Trencsenyi , Agnieszka Mensfelt , Kostas Stathis

Rapidly evolving cyberattacks demand incident response systems that can autonomously learn and adapt to changing threats. Prior work has extensively explored the reinforcement learning approach, which involves learning response strategies…

Cryptography and Security · Computer Science 2026-04-16 Yiran Gao , Kim Hammar , Tao Li

Large language models (LLMs) transcend passive generation and act as goal-directed agents by invoking external tools. Reinforcement learning (RL) offers a principled framework for optimizing these emergent tool-use policies, yet the…

Computation and Language · Computer Science 2026-02-05 Zihan Lin , Xiaohan Wang , Jie Cao , Jiajun Chai , Guojun Yin , Wei Lin , Ran He

The functionality of Large Language Model (LLM) agents is primarily determined by two capabilities: action planning and answer summarization. The former, action planning, is the core capability that dictates an agent's performance. However,…

Machine Learning · Computer Science 2025-08-28 Zhiwei Li , Yong Hu , Wenqing Wang

Traditional control system design, reliant on expert knowledge and precise models, struggles with complex, nonlinear, or uncertain dynamics. This paper introduces AgenticControl, a novel multi-agent framework that automates controller…

Systems and Control · Electrical Eng. & Systems 2025-06-25 Mohammad Narimani , Seyyed Ali Emami

Table reasoning requires models to jointly perform comprehensive semantic understanding and precise numerical operations. Although recent large language model (LLM)-based methods have achieved promising results, most of them still rely on a…

Artificial Intelligence · Computer Science 2025-12-23 Chuang Jiang , Mingyue Cheng , Xiaoyu Tao , Qingyang Mao , Jie Ouyang , Qi Liu

This paper introduces a framework that integrates reinforcement learning (RL) with autonomous agents to enable continuous improvement in the automated process of software test cases authoring from business requirement documents within…

Software Engineering · Computer Science 2025-12-09 Mohanakrishnan Hariharan

Large language models (LLMs) are rapidly evolving from passive engines of text generation into agentic entities that can plan, remember, invoke external tools, and co-operate with one another. This perspective paper investigates how such…

Information Retrieval · Computer Science 2025-07-11 Reza Yousefi Maragheh , Yashar Deldjoo

This paper presents an innovative large language model (LLM) agent framework for enhancing diagnostic accuracy in simulated clinical environments using the AgentClinic benchmark. The proposed automatic correction enables doctor agents to…

Artificial Intelligence · Computer Science 2024-10-15 Abhishek Dutta , Yen-Che Hsiao

Agentic AI represents a major shift in how autonomous systems reason, plan, and execute multi-step tasks through the coordination of Large Language Models (LLMs), Vision Language Models (VLMs), tools, and external services. While these…

Language Models and Vision Language Models have recently demonstrated unprecedented capabilities in terms of understanding human intentions, reasoning, scene understanding, and planning-like behaviour, in text form, among many others. In…

Reinforcement learning (RL) has demonstrated potential in enhancing the reasoning capabilities of large language models (LLMs), but such training typically demands substantial efforts in creating and annotating data. In this work, we…

Computation and Language · Computer Science 2025-10-06 Hangfan Zhang , Siyuan Xu , Zhimeng Guo , Huaisheng Zhu , Shicheng Liu , Xinrun Wang , Qiaosheng Zhang , Yang Chen , Peng Ye , Lei Bai , Shuyue Hu

While recent vision-language models (VLMs) demonstrate strong image understanding, their ability to "think with images", i.e., to reason through multi-step visual interactions, remains limited. We introduce VISTA-Gym, a scalable training…

Autonomous agents powered by large language models (LLMs) have the potential to significantly enhance human productivity by reasoning, using tools, and executing complex tasks in diverse environments. However, current approaches to…

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