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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…

计算与语言 · 计算机科学 2024-06-25 Zhengliang Shi , Shen Gao , Xiuyi Chen , Yue Feng , Lingyong Yan , Haibo Shi , Dawei Yin , Pengjie Ren , Suzan Verberne , Zhaochun Ren

Atomistic simulations are essential tools in chemistry and materials science, accelerating the discovery of novel catalysts, energy storage materials, and pharmaceuticals. However, running these simulations remains challenging due to the…

化学物理 · 物理学 2025-06-11 Thang D. Pham , Aditya Tanikanti , Murat Keçeli

Artificial intelligence (AI) is reshaping scientific discovery, evolving from specialized computational tools into autonomous research partners. We position Agentic Science as a pivotal stage within the broader AI for Science paradigm,…

Large Language Model (LLM) agents have demonstrated remarkable capabilities in organizing and executing complex tasks, and many such agents are now widely used in various application scenarios. However, developing these agents requires…

人工智能 · 计算机科学 2025-10-01 Chenglin Yu , Yang Yu , Songmiao Wang , Yucheng Wang , Yifan Yang , Jinjia Li , Ming Li , Hongxia Yang

Scientific workflows in computational chemistry and materials science typically involve multiple interdependent steps, such as model preparation, system construction, simulation execution, and data analysis, that researchers have refined…

The rapid development of large language model (LLM)-based agents has unlocked new possibilities for autonomous multi-turn reasoning and tool-augmented decision-making. However, their real-world deployment is hindered by severe…

Large Language Models (LLMs) demonstrate potentials for automating scientific code generation but face challenges in reliability, error propagation in multi-agent workflows, and evaluation in domains with ill-defined success metrics. We…

人工智能 · 计算机科学 2026-03-04 Zihang Zeng , Jiaquan Zhang , Pengze Li , Yuan Qi , Xi Chen

With recent advances in Large Language Models (LLMs), Agentic AI has become phenomenal in real-world applications, moving toward multiple LLM-based agents to perceive, learn, reason, and act collaboratively. These LLM-based Multi-Agent…

人工智能 · 计算机科学 2025-01-14 Khanh-Tung Tran , Dung Dao , Minh-Duong Nguyen , Quoc-Viet Pham , Barry O'Sullivan , Hoang D. Nguyen

In this paper, we present a novel framework for enhancing the capabilities of large language models (LLMs) by leveraging the power of multi-agent systems. Our framework introduces a collaborative environment where multiple intelligent agent…

人工智能 · 计算机科学 2023-06-07 Yashar Talebirad , Amirhossein Nadiri

Autonomous agents driven by Large Language Models (LLMs) offer enormous potential for automation. Early proof of this technology can be found in various demonstrations of agents solving complex tasks, interacting with external systems to…

Recent large language models (LLMs) have demonstrated strong capabilities in understanding and generating code, from competitive programming to repository-level software engineering. In emerging agentic systems, code is no longer only a…

Our paper introduces a generative, multiagent AI framework designed to overcome the rigidity, limited flexibility and technical barriers of current bibliometric tools. The objective is to enable researchers to perform fully dynamic,…

数字图书馆 · 计算机科学 2026-04-29 Adela Bara , Simona-Vasilica Oprea

We introduce QiboAgent, a reference implementation designed to serve as a practitioner's guideline for developing specialized coding assistants in Quantum Computing middleware. Addressing the limitations in scientific software development…

量子物理 · 物理学 2026-03-17 Lorenzo Esposito , Andrea Papaluca , Stefano Carrazza

Large Language Models (LLMs) have demonstrated effectiveness in code generation tasks. To enable LLMs to address more complex coding challenges, existing research has focused on crafting multi-agent systems with agentic workflows, where…

软件工程 · 计算机科学 2026-04-15 Siwei Liu , Jinyuan Fang , Han Zhou , Yingxu Wang , Zaiqiao Meng

Simulations, although powerful in accurately replicating real-world systems, often remain inaccessible to non-technical users due to their complexity. Conversely, large language models (LLMs) provide intuitive, language-based interactions…

计算与语言 · 计算机科学 2025-05-22 Jacob Kleiman , Kevin Frank , Joseph Voyles , Sindy Campagna

With the rapid advancement of Large Language Models (LLMs) and Artificial Intelligence (AI) agents, agentic workflows are showing transformative potential in education. This study introduces the Agentic Workflow for Education (AWE), a…

计算机与社会 · 计算机科学 2025-09-03 Yuan-Hao Jiang , Yijie Lu , Ling Dai , Jiatong Wang , Ruijia Li , Bo Jiang

Despite recent advancements in Large Language Models (LLMs), complex Software Engineering (SE) tasks require more collaborative and specialized approaches. This concept paper systematically reviews the emerging paradigm of LLM-based…

软件工程 · 计算机科学 2026-01-21 Yongjian Tang , Thomas Runkler

LLM/VLM-based digital agents have advanced rapidly thanks to scalable sandboxes for coding, web navigation, and computer use, which provide rich interactive training grounds. In contrast, embodied agents still lack abundant, diverse, and…

Automatic question generation (AQG) for mathematics education remains an elusive goal for Intelligent Tutoring Systems and educators. While pre-trained transformer-based language models have significantly advanced natural language…

多智能体系统 · 计算机科学 2025-11-07 Kia Karbasi , Kevin Hong , Mohammad Amin Samadi , Gregory Pottie

The integration of experimental technologies with large language models (LLMs) is transforming scientific research. It positions AI as a versatile research assistant rather than a mere problem-solving tool. In the field of power systems,…

计算与语言 · 计算机科学 2025-05-20 Mengshuo Jia , Zeyu Cui , Gabriela Hug