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Existing LLM-enabled multi-agent frameworks are predominantly limited to digital or simulated environments and confined to narrowly focused knowledge domain, constraining their applicability to complex engineering tasks that require the…

For a long time, humanity has pursued artificial intelligence (AI) equivalent to or surpassing the human level, with AI agents considered a promising vehicle for this pursuit. AI agents are artificial entities that sense their environment,…

We introduce Agentic Reasoning, a framework that enhances large language model (LLM) reasoning by integrating external tool-using agents. Agentic Reasoning dynamically leverages web search, code execution, and structured memory to address…

Artificial Intelligence · Computer Science 2025-07-16 Junde Wu , Jiayuan Zhu , Yuyuan Liu , Min Xu , Yueming Jin

Recent advancements in Large Language Models (LLMs) have spurred interest in deploying LLM agents to undertake tasks in the world. LLMs are often deployed in agent systems: code that orchestrates LLM calls and provides them with tools. We…

Artificial Intelligence · Computer Science 2025-05-20 Maxime Robeyns , Martin Szummer , Laurence Aitchison

With the rise of large language models (LLMs), LLM agents capable of autonomous reasoning, planning, and executing complex tasks have become a frontier in artificial intelligence. However, how to translate the research on general agents…

Large Language Models (LLMs) are catalyzing a paradigm shift in scientific discovery, evolving from task-specific automation tools into increasingly autonomous agents and fundamentally redefining research processes and human-AI…

Computation and Language · Computer Science 2025-09-18 Tianshi Zheng , Zheye Deng , Hong Ting Tsang , Weiqi Wang , Jiaxin Bai , Zihao Wang , Yangqiu Song

Recently, Large Language Models (LLMs) have been applied to scientific equation discovery, leveraging their embedded scientific knowledge for hypothesis generation. However, current methods typically confine LLMs to the role of an equation…

Artificial Intelligence · Computer Science 2026-02-18 Shijie Xia , Yuhan Sun , Pengfei Liu

Automatic code optimization remains a difficult challenge, particularly for complex loop nests on modern hardware. This paper investigates a novel approach to code optimization where Large Language Models (LLMs) guide the process through a…

Programming Languages · Computer Science 2025-12-30 Massinissa Merouani , Islem Kara Bernou , Riyadh Baghdadi

Agents based on Large Language Models (LLMs) have shown promise for performing sophisticated software engineering tasks autonomously. In addition, there has been progress towards developing agents that can perform parts of the research…

Computation and Language · Computer Science 2026-04-23 Nicholas Edwards , Yukyung Lee , Yujun Audrey Mao , Yulu Qin , Sebastian Schuster , Najoung Kim

Code generation agents powered by large language models (LLMs) are revolutionizing the software development paradigm. Distinct from previous code generation techniques, code generation agents are characterized by three core features. 1)…

Software Engineering · Computer Science 2025-10-01 Yihong Dong , Xue Jiang , Jiaru Qian , Tian Wang , Kechi Zhang , Zhi Jin , Ge Li

LLM-based reasoning models have enabled the development of agentic systems that act as co-scientists, assisting in multi-step scientific analysis. However, evaluating these systems is challenging, as it requires realistic, end-to-end…

Machine Learning · Computer Science 2026-02-24 Siba Smarak Panigrahi , Jovana Videnović , Maria Brbić

Recent progress in Large Language Models (LLMs) has drawn attention to their potential for accelerating drug discovery. However, a central problem remains: translating theoretical ideas into robust implementations in the highly specialized…

Machine Learning · Computer Science 2025-03-06 Sizhe Liu , Yizhou Lu , Siyu Chen , Xiyang Hu , Jieyu Zhao , Yingzhou Lu , Yue Zhao

AI-assisted research is crossing a threshold: fully automated systems can now generate research papers for as little as $15, while long-horizon agents can execute experiments, draft manuscripts, and simulate critique with minimal human…

Large Language Models have recently gained significant attention in scientific discovery for their extensive knowledge and advanced reasoning capabilities. However, they encounter challenges in effectively simulating observational feedback…

Machine Learning · Computer Science 2024-05-17 Pingchuan Ma , Tsun-Hsuan Wang , Minghao Guo , Zhiqing Sun , Joshua B. Tenenbaum , Daniela Rus , Chuang Gan , Wojciech Matusik

Scientific data visualization plays a crucial role in research by enabling the direct display of complex information and assisting researchers in identifying implicit patterns. Despite its importance, the use of Large Language Models (LLMs)…

Computation and Language · Computer Science 2024-03-20 Zhiyu Yang , Zihan Zhou , Shuo Wang , Xin Cong , Xu Han , Yukun Yan , Zhenghao Liu , Zhixing Tan , Pengyuan Liu , Dong Yu , Zhiyuan Liu , Xiaodong Shi , Maosong Sun

Effective research ideation is a critical step for scientific research. However, the exponential increase in scientific literature makes it challenging for researchers to stay current with recent advances and identify meaningful research…

Artificial Intelligence · Computer Science 2024-10-31 Long Li , Weiwen Xu , Jiayan Guo , Ruochen Zhao , Xingxuan Li , Yuqian Yuan , Boqiang Zhang , Yuming Jiang , Yifei Xin , Ronghao Dang , Deli Zhao , Yu Rong , Tian Feng , Lidong Bing

Large language models (LLMs) have created new opportunities to enhance the efficiency of scholarly activities; however, challenges persist in the ethical deployment of AI assistance, including (1) the trustworthiness of AI-generated…

Computation and Language · Computer Science 2026-02-27 Mengze Hong , Di Jiang , Chen Jason Zhang , Zichang Guo , Yawen Li , Jun Chen , Shaobo Cui , Zhiyang Su

Large Language Model (LLM) Agents have demonstrated remarkable capabilities in task automation and intelligent decision-making, driving the widespread adoption of agent development frameworks such as LangChain and AutoGen. However, these…

Artificial Intelligence · Computer Science 2025-10-10 Jiabin Tang , Tianyu Fan , Chao Huang

Large language models (LLMs) show the promise in supporting scientific research implementation, yet their ability to generate correct and executable code remains limited. Existing works largely adopt one-shot settings, ignoring the…

Background: There is great interest in agentic LLMs, large language models that act as agents. Objectives: We review the growing body of work in this area and provide a research agenda. Methods: Agentic LLMs are LLMs that (1) reason, (2)…

Artificial Intelligence · Computer Science 2026-01-01 Aske Plaat , Max van Duijn , Niki van Stein , Mike Preuss , Peter van der Putten , Kees Joost Batenburg
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