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The control of complex laboratory instrumentation often requires significant programming expertise, creating a barrier for researchers lacking computational skills. This work explores the potential of large language models (LLMs), such as…

Artificial Intelligence · Computer Science 2026-04-07 Yong Xie , Kexin He , Andres Castellanos-Gomez

To address intricate real-world tasks, there has been a rising interest in tool utilization in applications of large language models (LLMs). To develop LLM-based agents, it usually requires LLMs to understand many tool functions from…

Computation and Language · Computer Science 2024-03-28 Siyu Yuan , Kaitao Song , Jiangjie Chen , Xu Tan , Yongliang Shen , Ren Kan , Dongsheng Li , Deqing Yang

Automated machine learning (AutoML) accelerates AI development by automating tasks in the development pipeline, such as optimal model search and hyperparameter tuning. Existing AutoML systems often require technical expertise to set up…

Machine Learning · Computer Science 2025-06-09 Patara Trirat , Wonyong Jeong , Sung Ju Hwang

Large Language Model (LLM) agents have emerged as powerful tools for automating complex tasks by leveraging the reasoning and decision-making abilities of LLMs. However, a major bottleneck in current agent frameworks lies in the high…

Artificial Intelligence · Computer Science 2025-11-19 Jingyi Jia , Qinbin Li

The advancements of large language models (LLMs) have piqued growing interest in developing LLM-based language agents to automate scientific discovery end-to-end, which has sparked both excitement and skepticism about their true…

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

Relational learning is a challenging problem that has motivated a wide range of approaches, including graph-based models (e.g., graph neural networks, graph transformers), tabular methods (e.g., tabular foundation models), and…

Machine Learning · Computer Science 2026-05-11 Xingyue Huang , Louis Tichelman , Jinwoo Kim , Krzysztof Olejniczak , İsmail İlkan Ceylan

Large language models (LLMs) and vision-language models (VLMs) have the potential to transform biological research by enabling autonomous experimentation. Yet, their application remains constrained by rigid protocol design, limited…

Robotics · Computer Science 2025-07-03 Yibo Qiu , Zan Huang , Zhiyu Wang , Handi Liu , Yiling Qiao , Yifeng Hu , Shu'ang Sun , Hangke Peng , Ronald X Xu , Mingzhai Sun

This paper introduces AnalyticsGPT, an intuitive and efficient large language model (LLM)-powered workflow for scientometric question answering. This underrepresented downstream task addresses the subcategory of meta-scientific questions…

Computation and Language · Computer Science 2026-02-11 Khang Ly , Georgios Cheirmpos , Adrian Raudaschl , Christopher James , Seyed Amin Tabatabaei

Autonomous science agents built on large language models (LLMs) are increasingly used to generate hypotheses, design experiments, and produce reports. However, prior work mainly targets open-ended scientific problems with subjective outputs…

Computation and Language · Computer Science 2026-03-24 Tianshu Zhang , Huan Sun

In this paper we introduce ResearchCodeAgent, a novel multi-agent system leveraging large language models (LLMs) agents to automate the codification of research methodologies described in machine learning literature. The system bridges the…

Software Engineering · Computer Science 2025-05-06 Shubham Gandhi , Dhruv Shah , Manasi Patwardhan , Lovekesh Vig , Gautam Shroff

Large Audio-Language Models (LALMs) perform well on audio understanding tasks but lack multistep reasoning and tool-calling found in recent Large Language Models (LLMs). This paper presents AudioToolAgent, a framework that coordinates…

Sound · Computer Science 2026-02-16 Gijs Wijngaard , Elia Formisano , Michel Dumontier , Jenia Jitsev

Multimodal artificial intelligence (AI) systems have the potential to enhance clinical decision-making by interpreting various types of medical data. However, the effectiveness of these models across all medical fields is uncertain. Each…

Recently, the astonishing performance of large language models (LLMs) in natural language comprehension and generation tasks triggered lots of exploration of using them as central controllers to build agent systems. Multiple studies focus…

Computer Vision and Pattern Recognition · Computer Science 2025-04-14 Chenyu Wang , Weixin Luo , Sixun Dong , Xiaohua Xuan , Zhengxin Li , Lin Ma , Shenghua Gao

Augmenting large language models (LLMs) with external tools has emerged as a promising approach to extend their utility, enabling them to solve practical tasks. Previous methods manually parse tool documentation and create in-context…

Computation and Language · Computer Science 2025-03-05 Zhengliang Shi , Shen Gao , Lingyong Yan , Yue Feng , Xiuyi Chen , Zhumin Chen , Dawei Yin , Suzan Verberne , Zhaochun Ren

AGENTiGraph is a user-friendly, agent-driven system that enables intuitive interaction and management of domain-specific data through the manipulation of knowledge graphs in natural language. It gives non-technical users a complete, visual…

Large Language Models~(LLMs) have demonstrated capabilities across various applications but face challenges such as hallucination, limited reasoning abilities, and factual inconsistencies, especially when tackling complex, domain-specific…

Despite the success of large language models (LLMs) on general-purpose tasks, their performance in highly specialized domains such as biomedicine remains unsatisfactory. A key limitation is the inability of LLMs to effectively leverage…

Computation and Language · Computer Science 2026-05-08 Xin Gao , Ruiyi Zhang , Meixi Du , Peijia Qin , Pengtao Xie

Teaching large language models (LLMs) to use tools is crucial for improving their problem-solving abilities and expanding their applications. However, effectively using tools is challenging because it requires a deep understanding of tool…

Machine Learning · Computer Science 2025-06-27 Jingwei Wang , Zai Zhang , Hao Qian , Chunjing Gan , Binbin Hu , Ziqi Liu , Zhiqiang Zhang , Jun Zhou , Bin Shi , Bo Dong

We introduce a multicrossmodal LLM-agent framework motivated by the growing volume and diversity of materials-science data ranging from high-resolution microscopy and dynamic simulation videos to tabular experiment logs and sprawling…

Materials Science · Physics 2025-05-22 Adib Bazgir , Rama chandra Praneeth Madugula , Yuwen Zhang