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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

LLM-based agents represent a paradigm shift in AI, enabling autonomous systems to plan, reason, and use tools while interacting with dynamic environments. This paper provides the first comprehensive survey of evaluation methods for these…

Artificial Intelligence · Computer Science 2026-04-24 Asaf Yehudai , Lilach Eden , Alan Li , Guy Uziel , Yilun Zhao , Roy Bar-Haim , Arman Cohan , Michal Shmueli-Scheuer

In recent years, Large Language Models (LLMs) have shown great abilities in various tasks, including question answering, arithmetic problem solving, and poem writing, among others. Although research on LLM-as-an-agent has shown that LLM can…

Multiagent Systems · Computer Science 2024-05-21 Chuanneng Sun , Songjun Huang , Dario Pompili

Game environments provide rich, controllable settings that stimulate many aspects of real-world complexity. As such, game agents offer a valuable testbed for exploring capabilities relevant to Artificial General Intelligence. Recently, the…

Artificial Intelligence · Computer Science 2025-11-05 Sihao Hu , Tiansheng Huang , Gaowen Liu , Ramana Rao Kompella , Fatih Ilhan , Selim Furkan Tekin , Yichang Xu , Zachary Yahn , Ling Liu

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…

Artificial Intelligence · Computer Science 2025-08-18 Yuan Li , Lichao Sun , Yixuan Zhang

Information technology has profoundly altered the way humans interact with information. The vast amount of content created, shared, and disseminated online has made it increasingly difficult to access relevant information. Over the past two…

Information Retrieval · Computer Science 2025-04-14 Yu Zhang , Shutong Qiao , Jiaqi Zhang , Tzu-Heng Lin , Chen Gao , Yong Li

Recommender systems are essential components of many online platforms, yet traditional approaches still struggle with understanding complex user preferences and providing explainable recommendations. The emergence of Large Language Model…

Information Retrieval · Computer Science 2025-03-05 Qiyao Peng , Hongtao Liu , Hua Huang , Qing Yang , Minglai Shao

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…

Information Retrieval · Computer Science 2026-05-27 Yingli Zhou , Wang Shu , Yaodong Su , Wenchuan Du , Yixiang Fang , Xuemin Lin

Computational experiments have emerged as a valuable method for studying complex systems, involving the algorithmization of counterfactuals. However, accurately representing real social systems in Agent-based Modeling (ABM) is challenging…

Artificial Intelligence · Computer Science 2024-02-02 Qun Ma , Xiao Xue , Deyu Zhou , Xiangning Yu , Donghua Liu , Xuwen Zhang , Zihan Zhao , Yifan Shen , Peilin Ji , Juanjuan Li , Gang Wang , Wanpeng Ma

The swift evolution of Large-scale Models (LMs), either language-focused or multi-modal, has garnered extensive attention in both academy and industry. But despite the surge in interest in this rapidly evolving area, there are scarce…

Artificial Intelligence · Computer Science 2024-03-18 Xinrun Xu , Yuxin Wang , Chaoyi Xu , Ziluo Ding , Jiechuan Jiang , Zhiming Ding , Börje F. Karlsson

In recent years, Large Language Models (LLMs) have achieved remarkable success and have been widely used in various downstream tasks, especially in the tasks of the software engineering (SE) field. We find that many studies combining LLMs…

Software Engineering · Computer Science 2024-09-24 Yanlin Wang , Wanjun Zhong , Yanxian Huang , Ensheng Shi , Min Yang , Jiachi Chen , Hui Li , Yuchi Ma , Qianxiang Wang , Zibin Zheng

Game-theoretic scenarios have become pivotal in evaluating the social intelligence of Large Language Model (LLM)-based social agents. While numerous studies have explored these agents in such settings, there is a lack of a comprehensive…

Computation and Language · Computer Science 2025-07-22 Xiachong Feng , Longxu Dou , Ella Li , Qinghao Wang , Haochuan Wang , Yu Guo , Chang Ma , Lingpeng Kong

Scientific Large Language Models (Sci-LLMs) are transforming how knowledge is represented, integrated, and applied in scientific research, yet their progress is shaped by the complex nature of scientific data. This survey presents a…

Computation and Language · Computer Science 2025-10-21 Ming Hu , Chenglong Ma , Wei Li , Wanghan Xu , Jiamin Wu , Jucheng Hu , Tianbin Li , Guohang Zhuang , Jiaqi Liu , Yingzhou Lu , Ying Chen , Chaoyang Zhang , Cheng Tan , Jie Ying , Guocheng Wu , Shujian Gao , Pengcheng Chen , Jiashi Lin , Haitao Wu , Lulu Chen , Fengxiang Wang , Yuanyuan Zhang , Xiangyu Zhao , Feilong Tang , Encheng Su , Junzhi Ning , Xinyao Liu , Ye Du , Changkai Ji , Pengfei Jiang , Cheng Tang , Ziyan Huang , Jiyao Liu , Jiaqi Wei , Yuejin Yang , Xiang Zhang , Guangshuai Wang , Yue Yang , Huihui Xu , Ziyang Chen , Yizhou Wang , Chen Tang , Jianyu Wu , Yuchen Ren , Siyuan Yan , Zhonghua Wang , Zhongxing Xu , Shiyan Su , Shangquan Sun , Runkai Zhao , Zhisheng Zhang , Dingkang Yang , Jinjie Wei , Jiaqi Wang , Jiahao Xu , Jiangtao Yan , Wenhao Tang , Hongze Zhu , Yu Liu , Fudi Wang , Yiqing Shen , Yuanfeng Ji , Yanzhou Su , Tong Xie , Hongming Shan , Chun-Mei Feng , Zhi Hou , Diping Song , Lihao Liu , Yanyan Huang , Lequan Yu , Bin Fu , Shujun Wang , Xiaomeng Li , Xiaowei Hu , Yun Gu , Ben Fei , Benyou Wang , Yuewen Cao , Minjie Shen , Jie Xu , Haodong Duan , Fang Yan , Hongxia Hao , Jielan Li , Jiajun Du , Yanbo Wang , Imran Razzak , Zhongying Deng , Chi Zhang , Lijun Wu , Conghui He , Zhaohui Lu , Jinhai Huang , Wenqi Shao , Yihao Liu , Siqi Luo , Yi Xin , Xiaohong Liu , Fenghua Ling , Yuqiang Li , Aoran Wang , Siqi Sun , Qihao Zheng , Nanqing Dong , Tianfan Fu , Dongzhan Zhou , Yan Lu , Wenlong Zhang , Jin Ye , Jianfei Cai , Yirong Chen , Wanli Ouyang , Yu Qiao , Zongyuan Ge , Shixiang Tang , Junjun He , Chunfeng Song , Lei Bai , Bowen Zhou

GUIs have long been central to human-computer interaction, providing an intuitive and visually-driven way to access and interact with digital systems. The advent of LLMs, particularly multimodal models, has ushered in a new era of GUI…

Artificial Intelligence · Computer Science 2025-05-07 Chaoyun Zhang , Shilin He , Jiaxu Qian , Bowen Li , Liqun Li , Si Qin , Yu Kang , Minghua Ma , Guyue Liu , Qingwei Lin , Saravan Rajmohan , Dongmei Zhang , Qi Zhang

Large Language Models (LLMs) are transforming healthcare through the development of LLM-based agents that can understand, reason about, and assist with medical tasks. This survey provides a comprehensive review of LLM-based agents in…

Computation and Language · Computer Science 2025-05-27 Wenxuan Wang , Zizhan Ma , Zheng Wang , Chenghan Wu , Jiaming Ji , Wenting Chen , Xiang Li , Yixuan Yuan

Large Language Models (LLMs) have garnered considerable interest due to their impressive natural language capabilities, which in conjunction with various emergent properties make them versatile tools in workflows ranging from complex code…

Materials Science · Physics 2024-10-22 Ge Lei , Ronan Docherty , Samuel J. Cooper

Multi-agent large language models (MA-LLMs) are a rapidly growing research area that leverages multiple interacting language agents to tackle complex tasks, outperforming single-agent large language models. This literature review…

Multiagent Systems · Computer Science 2025-06-03 Arne Tillmann

Recent advances in the intrinsic reasoning capabilities of large language models (LLMs) have given rise to LLM-based agent systems that exhibit near-human performance on a variety of automated tasks. However, although these systems share…

Artificial Intelligence · Computer Science 2025-08-26 Bingxi Zhao , Lin Geng Foo , Ping Hu , Christian Theobalt , Hossein Rahmani , Jun Liu

By formally defining the training processes of large language models (LLMs), which usually encompasses pre-training, supervised fine-tuning, and reinforcement learning with human feedback, within a single and unified machine learning…

Computation and Language · Computer Science 2024-02-14 Yang Liu , Peng Sun , Hang Li

This scoping review examines the emerging field of Large Language Model (LLM)-based pedagogical agents in educational settings. While traditional pedagogical agents have been extensively studied, the integration of LLMs represents a…

Artificial Intelligence · Computer Science 2026-05-19 Shan Li , Juan Zheng