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The rapid advancement of Large Language Models (LLMs) has driven novel applications across diverse domains, with LLM-based agents emerging as a crucial area of exploration. This survey presents a comprehensive analysis of LLM-based agents…

Artificial Intelligence · Computer Science 2025-11-25 Ke Chen , Peiran Wang , Yaoning Yu , Xianyang Zhan , Haohan Wang

Coaxing out desired behavior from pretrained models, while avoiding undesirable ones, has redefined NLP and is reshaping how we interact with computers. What was once a scientific engineering discipline-in which building blocks are stacked…

Machine Learning · Computer Science 2023-08-02 Ari Holtzman , Peter West , Luke Zettlemoyer

Large language models (LLMs) are rapidly transforming materials science. This review examines recent LLM applications across the materials discovery pipeline, focusing on three key areas: mining scientific literature , predictive modelling,…

Computation and Language · Computer Science 2025-11-17 Fengxu Yang , Weitong Chen , Jack D. Evans

The social science of large language models (LLMs) examines how these systems evoke mind attributions, interact with one another, and transform human activity and institutions. We conducted a systematic review of 270 studies, combining text…

Artificial Intelligence · Computer Science 2025-10-28 Xiao Jia , Zhanzhan Zhao

Intelligent agents stand out as a potential path toward artificial general intelligence (AGI). Thus, researchers have dedicated significant effort to diverse implementations for them. Benefiting from recent progress in large language models…

Artificial Intelligence · Computer Science 2024-01-09 Yuheng Cheng , Ceyao Zhang , Zhengwen Zhang , Xiangrui Meng , Sirui Hong , Wenhao Li , Zihao Wang , Zekai Wang , Feng Yin , Junhua Zhao , Xiuqiang He

The emergence of Large Language Models (LLMs) has reshaped agent systems. Unlike traditional rule-based agents with limited task scope, LLM-powered agents offer greater flexibility, cross-domain reasoning, and natural language interaction.…

Artificial Intelligence · Computer Science 2026-05-05 Guannan Liang , Qianqian Tong

Large language models (LLMs) have emerged as powerful tools in chemistry, significantly impacting molecule design, property prediction, and synthesis optimization. This review highlights LLM capabilities in these domains and their potential…

Machine Learning · Computer Science 2024-11-18 Mayk Caldas Ramos , Christopher J. Collison , Andrew D. White

In recent years, data science agents powered by Large Language Models (LLMs), known as "data agents," have shown significant potential to transform the traditional data analysis paradigm. This survey provides an overview of the evolution,…

Artificial Intelligence · Computer Science 2025-12-01 Maojun Sun , Ruijian Han , Binyan Jiang , Houduo Qi , Defeng Sun , Yancheng Yuan , Jian Huang

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

Recent advances in machine learning have made revolutionary breakthroughs in computer games, image and natural language understanding, and scientific discovery. Foundation models and large-scale language models (LLMs) have recently achieved…

Neurons and Cognition · Quantitative Biology 2023-10-31 Ran Wang , Zhe Sage Chen

Autonomous agents have long been a prominent research focus in both academic and industry communities. Previous research in this field often focuses on training agents with limited knowledge within isolated environments, which diverges…

Artificial Intelligence · Computer Science 2025-03-04 Lei Wang , Chen Ma , Xueyang Feng , Zeyu Zhang , Hao Yang , Jingsen Zhang , Zhiyuan Chen , Jiakai Tang , Xu Chen , Yankai Lin , Wayne Xin Zhao , Zhewei Wei , Ji-Rong Wen

As large language models (LLMs) continue to make significant strides, their better integration into agent-based simulations offers a transformational potential for understanding complex social systems. However, such integration is not…

Physics and Society · Physics 2024-05-14 Onder Gurcan

Spreading dynamics is a central topic in the physics of complex systems and network science, providing a unified framework for understanding how information, behaviors, and diseases propagate through interactions among system units. In many…

Physics and Society · Physics 2026-02-10 Shuyu Jiang , Hao Ren , Yichang Gao , Yi-Cheng Zhang , Li Qi , Dayong Xiao , Jie Fan , Rui Tang , Wei Wang

The rapid development of artificial intelligence has led to marked progress in the field. One interesting direction for research is whether Large Language Models (LLMs) can be integrated with structured knowledge-based systems. This…

Computation and Language · Computer Science 2025-05-02 Wenli Yang , Lilian Some , Michael Bain , Byeong Kang

Language is essentially a complex, intricate system of human expressions governed by grammatical rules. It poses a significant challenge to develop capable AI algorithms for comprehending and grasping a language. As a major approach,…

Large Language Models (LLMs) can be deployed in situations where they process positive/negative interactions with other agents. We study how this is done under the sociological framework of social balance, which explains the emergence of…

Computation and Language · Computer Science 2026-01-07 Pedro Cisneros-Velarde

Evaluating the surroundings to gain understanding, frame perspectives, and anticipate behavioral reactions is an inherent human trait. However, these continuous encounters are diverse and complex, posing challenges to their study and…

Computers and Society · Computer Science 2026-02-26 Deepank Verma , Olaf Mumm , Vanessa Miriam Carlow

Large language models (LLMs) are transforming cellular biology by enabling the development of "virtual cells"--computational systems that represent, predict, and reason about cellular states and behaviors. This work provides a comprehensive…

Computation and Language · Computer Science 2025-10-10 Krinos Li , Xianglu Xiao , Shenglong Deng , Lucas He , Zijun Zhong , Yuanjie Zou , Zhonghao Zhan , Zheng Hui , Weiye Bao , Guang Yang

This article explores the dynamic influence of computational entities based on multi-agent systems theory (SMA) combined with large language models (LLM), which are characterized by their ability to simulate complex human interactions, as a…

Artificial Intelligence · Computer Science 2024-03-18 Carlos Jose Xavier Cruz

Computational social experiments, which typically employ agent-based modeling to create testbeds for piloting social experiments, not only provide a computational solution to the major challenges faced by traditional experimental methods,…

Computers and Society · Computer Science 2025-08-13 Jinghua Piao , Yuwei Yan , Nian Li , Jun Zhang , Yong Li