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Large language models (LLMs) have significantly transformed the landscape of artificial intelligence by demonstrating their ability in generating human-like text across diverse topics. However, despite their impressive capabilities, LLMs…

Large Language Models (LLMs) are becoming ubiquitous to create intelligent virtual assistants that assist users in interacting with a system, as exemplified in marketing. Although LLMs have been discussed in Modeling & Simulation (M&S), the…

Human-Computer Interaction · Computer Science 2024-09-25 Philippe J. Giabbanelli , Jose J. Padilla , Ameeta Agrawal

Large language model (LLM) based agents have recently attracted much attention from the research and industry communities. Compared with original LLMs, LLM-based agents are featured in their self-evolving capability, which is the basis for…

Artificial Intelligence · Computer Science 2024-04-23 Zeyu Zhang , Xiaohe Bo , Chen Ma , Rui Li , Xu Chen , Quanyu Dai , Jieming Zhu , Zhenhua Dong , Ji-Rong Wen

Large Language Models (LLMs) have unveiled remarkable capabilities in understanding and generating both natural language and code, but LLM reasoning is prone to hallucination and struggle with complex, novel scenarios, often getting stuck…

Neural and Evolutionary Computing · Computer Science 2025-05-12 Antonio Jimeno Yepes , Pieter Barnard

Modern process simulators enable detailed process design, simulation, and optimization; however, constructing and interpreting simulations is time-consuming and requires expert knowledge. This limits early exploration by inexperienced…

Chemical Physics · Physics 2026-05-22 Jingkang Liang , Niklas Groll , Gürkan Sin

Large Language Models (LLMs) generalize well across language tasks, but suffer from hallucinations and uninterpretability, making it difficult to assess their accuracy without ground-truth. Retrieval-Augmented Generation (RAG) models have…

Computation and Language · Computer Science 2023-12-18 Jakub Lála , Odhran O'Donoghue , Aleksandar Shtedritski , Sam Cox , Samuel G. Rodriques , Andrew D. White

The emergence of Large Language Model (LLM) agents enables us to build agent-based intelligent systems that move beyond the role of a "tool" to become genuine collaborators with humans, thereby realizing a novel human-agent collaboration…

Human-Computer Interaction · Computer Science 2026-02-06 Bingsheng Yao , Chaoran Chen , April Yi Wang , Sherry Tongshuang Wu , Toby Jia-jun Li , Dakuo Wang

Large Language Model (LLM) agents represent a promising shift in human-AI interaction, moving beyond passive prompt-response systems to autonomous agents capable of reasoning, planning, and goal-directed action. While LLM agents are…

Computation and Language · Computer Science 2026-02-06 Weiwen Liu , Jiarui Qin , Xu Huang , Xingshan Zeng , Yunjia Xi , Jianghao Lin , Chuhan Wu , Yasheng Wang , Lifeng Shang , Ruiming Tang , Defu Lian , Yong Yu , Weinan Zhang

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…

Agent-based modeling and simulation has evolved as a powerful tool for modeling complex systems, offering insights into emergent behaviors and interactions among diverse agents. Integrating large language models into agent-based modeling…

Artificial Intelligence · Computer Science 2023-12-20 Chen Gao , Xiaochong Lan , Nian Li , Yuan Yuan , Jingtao Ding , Zhilun Zhou , Fengli Xu , Yong Li

Large Language Models (LLMs) have transformed agent-agent and human-agent interaction by enabling software, physical, and simulation agents to communicate and deliberate through natural language. Yet fluent language use does not by itself…

Multiagent Systems · Computer Science 2026-05-05 Önder Gürcan , Moharram Challenger

Large Language Models (LLMs) are shifting how scientific research is done. It is imperative to understand how researchers interact with these models and how scientific sub-communities like astronomy might benefit from them. However, there…

Large language models (LLMs) show promise in solving scientific problems. They can help generate long-form answers for scientific questions, which are crucial for comprehensive understanding of complex phenomena that require detailed…

Computation and Language · Computer Science 2025-10-01 Haozhou Xu , Dongxia Wu , Matteo Chinazzi , Ruijia Niu , Rose Yu , Yi-An Ma

With the advent of large language models (LLMs), there is a growing interest in applying LLMs to scientific tasks. In this work, we conduct an experimental study to explore applicability of LLMs for configuring, annotating, translating,…

Human-Computer Interaction · Computer Science 2025-10-13 Orcun Yildiz , Tom Peterka

Computer simulations offer a robust toolset for exploring complex systems across various disciplines. A particularly impactful approach within this realm is Agent-Based Modeling (ABM), which harnesses the interactions of individual agents…

Artificial Intelligence · Computer Science 2023-12-19 Zengqing Wu , Run Peng , Xu Han , Shuyuan Zheng , Yixin Zhang , Chuan Xiao

Understanding human behavior and society is a central focus in social sciences, with the rise of generative social science marking a significant paradigmatic shift. By leveraging bottom-up simulations, it replaces costly and logistically…

Social and Information Networks · Computer Science 2026-04-13 Jinghua Piao , Yuwei Yan , Jun Zhang , Nian Li , Junbo Yan , Xiaochong Lan , Zhihong Lu , Zhiheng Zheng , Jing Yi Wang , Di Zhou , Chen Gao , Fengli Xu , Fang Zhang , Ke Rong , Jun Su , Yong Li

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

Modern science is reaching a critical inflection point. Instruments across disciplines, from particle physics and astronomy to genomics and climate modeling, now produce data of such scale, diversity, and interdependence that traditional…

High Energy Physics - Experiment · Physics 2026-03-10 Ke Li , Beijiang Liu , Bruce Mellado , Changzheng Yuan , Zhengde Zhang

The rise of (multimodal) large language models (LLMs) has shed light on software agent -- where software can understand and follow user instructions in natural language. However, existing approaches such as API-based and GUI-based agents…

Software Engineering · Computer Science 2025-02-10 Mengwei Xu

Recent advances in large language models (LLMs) have sparked growing interest in building fully autonomous agents. However, fully autonomous LLM-based agents still face significant challenges, including limited reliability due to…