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Large language models (LLMs) have been touted to enable increased productivity in many areas of today's work life. Scientific research as an area of work is no exception: the potential of LLM-based tools to assist in the daily work of…

软件工程 · 计算机科学 2024-04-24 Mohamed Nejjar , Luca Zacharias , Fabian Stiehle , Ingo Weber

The development of automated experimental facilities and the digitization of experimental data have introduced numerous opportunities to radically advance chemical laboratories. As many laboratory tasks involve predicting and understanding…

Providing personalized assistance at scale is a long-standing challenge for computing educators, but a new generation of tools powered by large language models (LLMs) offers immense promise. Such tools can, in theory, provide on-demand help…

计算机与社会 · 计算机科学 2024-01-09 Brad Sheese , Mark Liffiton , Jaromir Savelka , Paul Denny

Computational chemistry tools are widely used to study the behaviour of chemical phenomena. Yet, the complexity of these tools can make them inaccessible to non-specialists and challenging even for experts. In this work, we introduce El…

The recent trend of using Large Language Models (LLMs) as tool agents in real-world applications underscores the necessity for comprehensive evaluations of their capabilities, particularly in complex scenarios involving planning, creating,…

Agents equipped with search tools have emerged as effective solutions for knowledge-intensive tasks. While Large Language Models (LLMs) exhibit strong reasoning capabilities, their high computational cost limits practical deployment for…

人工智能 · 计算机科学 2026-04-07 Yizhou Liu , Qi Sun , Yulin Chen , Siyue Zhang , Chen Zhao

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

Large-language models (LLMs) hold significant promise in improving human-robot interaction, offering advanced conversational skills and versatility in managing diverse, open-ended user requests in various tasks and domains. Despite the…

机器人学 · 计算机科学 2024-01-09 Callie Y. Kim , Christine P. Lee , Bilge Mutlu

Significant advancements have occurred in the application of Large Language Models (LLMs) for social simulations. Despite this, their abilities to perform teaming in task-oriented social events are underexplored. Such capabilities are…

人工智能 · 计算机科学 2025-08-18 Yuan Li , Lichao Sun , Yixuan Zhang

Quantum chemistry is a foundational enabling tool for the fields of chemistry, materials science, computational biology and others. Despite of its power, the practical application of quantum chemistry simulations remains in the hands of…

With recent advancements in natural language processing, Large Language Models (LLMs) have emerged as powerful tools for various real-world applications. Despite their prowess, the intrinsic generative abilities of LLMs may prove…

人工智能 · 计算机科学 2025-12-30 Jingqing Ruan , Yihong Chen , Bin Zhang , Zhiwei Xu , Tianpeng Bao , Guoqing Du , Shiwei Shi , Hangyu Mao , Ziyue Li , Xingyu Zeng , Rui Zhao

Many AI systems focus solely on providing solutions or explaining outcomes. However, complex tasks like research and strategic thinking often benefit from a more comprehensive approach to augmenting the thinking process rather than…

人机交互 · 计算机科学 2024-12-25 Soya Park , Hari Subramonyam , Chinmay Kulkarni

Large language model (LLM)-based agents that reason, plan, and act through tools, memory, and structured interaction are emerging as a promising paradigm for automating complex workflows. Recent systems such as OpenClaw and Claude Code…

信息检索 · 计算机科学 2026-05-27 Yingli Zhou , Wang Shu , Yaodong Su , Wenchuan Du , Yixiang Fang , Xuemin Lin

Large Language Models (LLMs) have demonstrated impressive performance in various NLP tasks, but they still suffer from challenges such as hallucination and weak numerical reasoning. To overcome these challenges, external tools can be used…

计算与语言 · 计算机科学 2023-06-26 Yuchen Zhuang , Yue Yu , Kuan Wang , Haotian Sun , Chao Zhang

As healthcare increasingly turns to AI for scalable and trustworthy clinical decision support, ensuring reliability in model reasoning remains a critical challenge. Individual large language models (LLMs) are susceptible to hallucinations…

机器学习 · 计算机科学 2025-12-05 Huascar Sanchez , Briland Hitaj , Jules Bergmann , Linda Briesemeister

Identifying reaction conditions that are broadly applicable across diverse substrates is a longstanding challenge in chemical and pharmaceutical research. While many methods are available to generate conditions with acceptable performance,…

人工智能 · 计算机科学 2025-09-26 Yu Zhang , Ruijie Yu , Kaipeng Zeng , Ding Li , Feng Zhu , Xiaokang Yang , Yaohui Jin , Yanyan Xu

This study proposes Tool-RoCo, a novel benchmark for evaluating large language models (LLMs) in long-term multi-agent cooperation based on RoCo, a multi-robot cooperative benchmark. Recent research on LLM-based multi-agent systems has…

多智能体系统 · 计算机科学 2025-12-02 Ke Zhang , Xiaoning Zhao , Ce Zheng , Jiahong Ning , Dandan Zhu , Wenqi Zhang , Chen Sun , Toshiharu Sugawara

The integration of AI assistants, especially through the development of Large Language Models (LLMs), into computer science education has sparked significant debate. An emerging body of work has looked into using LLMs in education, but few…

人机交互 · 计算机科学 2024-05-06 Wenhan Lyu , Yimeng Wang , Tingting , Chung , Yifan Sun , Yixuan Zhang

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…

机器学习 · 计算机科学 2025-03-06 Sizhe Liu , Yizhou Lu , Siyu Chen , Xiyang Hu , Jieyu Zhao , Yingzhou Lu , Yue Zhao

Recently, tool learning with large language models (LLMs) has emerged as a promising paradigm for augmenting the capabilities of LLMs to tackle highly complex problems. Despite growing attention and rapid advancements in this field, the…

计算与语言 · 计算机科学 2024-11-05 Changle Qu , Sunhao Dai , Xiaochi Wei , Hengyi Cai , Shuaiqiang Wang , Dawei Yin , Jun Xu , Ji-Rong Wen