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Related papers: SciToolAgent: A Knowledge Graph-Driven Scientific …

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In this work, we investigate the potential of large language models (LLMs) based agents to automate data science tasks, with the goal of comprehending task requirements, then building and training the best-fit machine learning models.…

Machine Learning · Computer Science 2024-05-29 Siyuan Guo , Cheng Deng , Ying Wen , Hechang Chen , Yi Chang , Jun Wang

In scientific research, analysis requires accurately interpreting complex multimodal knowledge, integrating evidence from different sources, and drawing inferences grounded in domain-specific knowledge. However, current artificial…

Computation and Language · Computer Science 2026-02-13 Xuehang Guo , Zhiyong Lu , Tom Hope , Qingyun Wang

Tool use enables large language models (LLMs) to access external information, invoke software systems, and act in digital environments beyond what can be solved from model parameters alone. Early research mainly studied whether a model…

Large Language Models (LLMs) excel in traditional natural language processing tasks but struggle with problems that require complex domain-specific calculations or simulations. While equipping LLMs with external tools to build LLM-based…

Software Engineering · Computer Science 2025-06-11 Bohan Lyu , Xin Cong , Heyang Yu , Pan Yang , Yujia Qin , Yining Ye , Yaxi Lu , Zhong Zhang , Yukun Yan , Yankai Lin , Zhiyuan Liu , Maosong Sun

Large language models (LLMs) have shown remarkable multimodal information processing and reasoning ability. When equipped with tools through function calling and enhanced with retrieval-augmented techniques, compound LLM-based systems can…

Machine Learning · Computer Science 2025-11-06 Borun Shi , Ioannis Panagiotas

Tool retrieval is a critical component in enabling large language models (LLMs) to interact effectively with external tools. It aims to precisely filter the massive tools into a small set of candidates for the downstream tool-augmented…

Information Retrieval · Computer Science 2025-07-03 Jianghao Lin , Xinyuan Wang , Xinyi Dai , Menghui Zhu , Bo Chen , Ruiming Tang , Yong Yu , Weinan Zhang

Large Language Models (LLMs) have demonstrated remarkable capabilities in natural language processing tasks, yet their application to graph structure analysis, particularly in community search, remains underexplored. Community search, a…

Social and Information Networks · Computer Science 2025-08-15 Jiahao Hua , Long Yuan , Qingshuai Feng , Qiang Fan , Shan Huang

Training AI models has always been challenging, especially when there is a need for custom models to provide personalized services. Algorithm engineers often face a lengthy process to iteratively develop models tailored to specific business…

Artificial Intelligence · Computer Science 2023-11-27 Haoyuan Li , Hao Jiang , Tianke Zhang , Zhelun Yu , Aoxiong Yin , Hao Cheng , Siming Fu , Yuhao Zhang , Wanggui He

The exponential growth of academic publications poses challenges for the research process, such as literature review and procedural planning. Large Language Models (LLMs) have emerged as powerful AI tools, especially when combined with…

Applied Physics · Physics 2025-02-13 Joaquin Ramirez-Medina , Mohammadmehdi Ataei , Alidad Amirfazli

Explaining observed phenomena through symbolic, interpretable formulas is a fundamental goal of science. Recently, large language models (LLMs) have emerged as promising tools for symbolic equation discovery, owing to their broad domain…

Artificial Intelligence · Computer Science 2026-02-26 Jianke Yang , Ohm Venkatachalam , Mohammad Kianezhad , Sharvaree Vadgama , Rose Yu

We introduce CollabToolBuilder, a flexible multiagent LLM framework with expert-in-the-loop (HITL) guidance that iteratively learns to create tools for a target goal, aligning with human intent and process, while minimizing time for…

Artificial Intelligence · Computer Science 2025-12-02 Daull Xavier , Patrice Bellot , Emmanuel Bruno , Vincent Martin , Elisabeth Murisasco

Knowledge graphs provide structured and reliable information for many real-world applications, motivating increasing interest in combining large language models (LLMs) with graph-based retrieval to improve factual grounding. Recent…

Artificial Intelligence · Computer Science 2026-04-16 Yuchen Ying , Weiqi Jiang , Tongya Zheng , Yu Wang , Shunyu Liu , Kaixuan Chen , Mingli Song

Large Language Model (LLM)-based agents have demonstrated strong capabilities across a wide range of tasks, and their application in the medical domain holds particular promise due to the demand for high generalizability and reliance on…

Artificial Intelligence · Computer Science 2025-08-18 Yangyang Zhuang , Wenjia Jiang , Jiayu Zhang , Ze Yang , Joey Tianyi Zhou , Chi Zhang

In the current era of big data, extracting deep insights from massive, heterogeneous, and complexly associated multi-dimensional data has become a significant challenge. Large Language Models (LLMs) perform well in natural language…

Artificial Intelligence · Computer Science 2025-11-21 Xi Wang , Xianyao Ling , Kun Li , Gang Yin , Liang Zhang , Jiang Wu , Jun Xu , Fu Zhang , Wenbo Lei , Annie Wang , Peng Gong

Process simulation is a critical cornerstone of chemical engineering design. Current automated chemical design methodologies focus mainly on various representations of process flow diagrams. However, transforming these diagrams into…

Artificial Intelligence · Computer Science 2026-01-13 Xufei Tian , Wenli Du , Shaoyi Yang , Han Hu , Hui Xin , Shifeng Qu , Ke Ye

Large Language Models (LLMs) show promise in biomedicine but lack true causal understanding, relying instead on correlations. This paper envisions causal LLM agents that integrate multimodal data (text, images, genomics, etc.) and perform…

Artificial Intelligence · Computer Science 2025-05-23 Adib Bazgir , Amir Habibdoust Lafmajani , Yuwen Zhang

With the exponential increase in online scientific literature, identifying reliable domain-specific data has become increasingly important but also very challenging. Manual data collection and filtering for domain-specific scientific…

Information Retrieval · Computer Science 2026-03-10 Nikita Gautam , Doina Caragea , Ignacio Ciampitti , Federico Gomez

Recent advancements have highlighted that Large Language Models (LLMs) are prone to hallucinations when solving complex reasoning problems, leading to erroneous results. To tackle this issue, researchers incorporate Knowledge Graphs (KGs)…

Artificial Intelligence · Computer Science 2025-02-19 Ben Liu , Jihai Zhang , Fangquan Lin , Cheng Yang , Min Peng , Wotao Yin

Scientific workflow systems automate execution -- scheduling, fault tolerance, resource management -- but not the semantic translation that precedes it. Scientists still manually convert research questions into workflow specifications, a…

Artificial Intelligence · Computer Science 2026-04-24 Bartosz Balis , Michal Orzechowski , Piotr Kica , Michal Dygas , Michal Kuszewski

The history of science is punctuated by serendipitous discoveries, where unexpected observations, rather than targeted hypotheses, opened new fields of inquiry. While modern autonomous laboratories excel at accelerating hypothesis testing,…

Artificial Intelligence · Computer Science 2025-08-12 Lance Yao , Suman Samantray , Ayana Ghosh , Kevin Roccapriore , Libor Kovarik , Sarah Allec , Maxim Ziatdinov