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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

Artificial intelligence and machine learning are reshaping how we approach scientific discovery, not by replacing established methods but by extending what researchers can probe, predict, and design. In this roadmap we provide a…

Large language models (LLMs) have enabled powerful advances in natural language understanding and generation. Yet their application to complex, real-world scientific workflows remain limited by challenges in memory, planning, and tool…

The proliferation of generative AI has transformed creative workflows, yet current systems face critical challenges in controllability and content protection. We propose a novel multi-agent framework that addresses both limitations through…

Multiagent Systems · Computer Science 2026-01-21 Haris Khan , Sadia Asif

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

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…

AI agents are beginning to interact with each other directly and across internet platforms and physical environments, creating security challenges beyond traditional cybersecurity and AI safety frameworks. Free-form protocols are essential…

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

Human computer interaction is shifting from screen-based systems to multimodal interfaces where artificial intelligence powered systems increasingly interpret user intent through speech, gesture, and gaze. Yet users rarely understand how…

Human-Computer Interaction · Computer Science 2026-05-05 Ankur Bhatt , Sven Mayer

Metal-organic frameworks (MOFs) offer a vast design space, and as such, computational simulations play a critical role in predicting their structural and physicochemical properties. However, MOF simulations remain difficult to access…

Artificial Intelligence · Computer Science 2026-04-01 Jaewoong Lee , Taeun Bae , Jihan Kim

Scientific discovery is a complex cognitive process that has driven human knowledge and technological progress for centuries. While artificial intelligence (AI) has made significant advances in automating aspects of scientific reasoning,…

Machine Learning · Computer Science 2024-12-24 Chandan K Reddy , Parshin Shojaee

Deep research systems are widely used for multi-step web research, analysis, and cross-source synthesis, yet their evaluation remains challenging. Existing benchmarks often require annotation-intensive task construction, rely on static…

Computation and Language · Computer Science 2026-01-15 Yibo Wang , Lei Wang , Yue Deng , Keming Wu , Yao Xiao , Huanjin Yao , Liwei Kang , Hai Ye , Yongcheng Jing , Lidong Bing

The proliferation of large language models (LLMs) and their integration into multi-agent systems has paved the way for sophisticated automation in various domains. This paper introduces AutoGenesisAgent, a multi-agent system that…

Multiagent Systems · Computer Science 2024-04-29 Jeremy Harper

The performance gap between closed-source and open-source large language models (LLMs) is largely attributed to disparities in access to high-quality training data. To bridge this gap, we introduce a novel framework for the automated…

As data continues to grow in scale and complexity, preparing, transforming, and analyzing it remains labor-intensive, repetitive, and difficult to scale. Since data contains knowledge and AI learns knowledge from it, the alignment between…

Artificial Intelligence · Computer Science 2025-10-07 Yanjie Fu , Dongjie Wang , Wangyang Ying , Xinyuan Wang , Xiangliang Zhang , Huan Liu , Jian Pei

Autonomous agents powered by large language models (LLMs) promise to accelerate scientific discovery end-to-end, but rigorously evaluating their capacity for verifiable discovery remains a central challenge. Existing benchmarks face a…

Artificial Intelligence · Computer Science 2026-02-04 Zhen Wang , Fan Bai , Zhongyan Luo , Jinyan Su , Kaiser Sun , Xinle Yu , Jieyuan Liu , Kun Zhou , Claire Cardie , Mark Dredze , Eric P. Xing , Zhiting Hu

We present the AI Cosmologist, an agentic system designed to automate cosmological/astronomical data analysis and machine learning research workflows. This implements a complete pipeline from idea generation to experimental evaluation and…

Instrumentation and Methods for Astrophysics · Physics 2025-04-07 Adam Moss

We envision "AI scientists" as systems capable of skeptical learning and reasoning that empower biomedical research through collaborative agents that integrate AI models and biomedical tools with experimental platforms. Rather than taking…

In this work, we propose MetaAgent, an agentic paradigm inspired by the principle of learning-by-doing, where expertise is developed through hands-on practice and continual self-improvement. MetaAgent starts with a minimal workflow,…

Artificial Intelligence · Computer Science 2025-09-03 Hongjin Qian , Zheng Liu

AI for social impact (AI4SI) offers significant potential for addressing complex societal challenges in areas such as public health, agriculture, education, conservation, and public safety. However, existing AI4SI research is often…

Artificial Intelligence · Computer Science 2024-12-13 Yunfan Zhao , Niclas Boehmer , Aparna Taneja , Milind Tambe