Agentic artificial intelligence (AI) systems are beginning to assist, accelerate, and partially automate scientific discovery, performing tasks that span literature synthesis, code generation, data analysis, hypothesis proposal, and model criticism. We argue that this transition is qualitative rather than incremental, and that suitably designed multi-agent systems may evolve from passive computational tools into ``AI scientists'' that can expand the hypothesis-generating and verification capacity of science.
arXiv:2609.19134v1 Announce Type: new
Abstract: Scientific code repositories encode decades of human knowledge in executable models, methods, and tools. Yet fragmented toolchains, implicit domain con...
By Hejia Geng, Zesen Huang, Haoyang Li, Wenbin Li, Koutian Wu, Zihan Zhou, Yuanbo Pang, Weihao Liu, Zigong Xu, Zhiping Li, Zongzheng Zhang, Chuanfei Dong, Jiankai Sun, Tianzhe Zheng, Fengyu Xie, Yue Ma, Yueheng Shi, Tong Xie, Zonglin Di, Xianrong Liu, Qucheng Gao, Yimin Liu, Jiaming Pan, Sheng Huang, Xiao-Han Ma, Lanqing Yuan, Zhenlin Zhu, Ziang Liu, Ziyang Xu, Junkai Wang, Kangkai Liang, Jiayi Xian, Zehong Zhao, Liuwei Xu, Jingxu Xie, Peijin Zhang, Qiang Gao, Chengyi Xing, Zhe Zhao, Xi Wang, Yaopeng Xing, Xing Meng, Zhenfei Yin, Yingcheng Wu, Ling Yang
arXiv:2608. 14667v1 Announce Type: new Abstract: Large language model-based agents are increasingly deployed as collaborators in scientific discovery yet most current work focuses on the autonomous capabilities of "AI Scientists".
By Patrick Emami, Sameera Horawalavithana, Truc Nguyen, Gihan Panapitiya, Bruno Jacob, Siddhisanket Raskar, Saumya Sinha, Jared D. Willard, Andrew Glaws, Nithin Somasekharan, Ling Yue, Brian Lu, Shaowu Pan, Jason Eisner
arXiv:2607. 16845v1 Announce Type: new Abstract: Scientists at European XFEL conduct experiments that generate very large and complex datasets.
By Tim Fuchs, Luca Gelisio, Steffen Hauf, Walid Maalej
The Perspective reviews the rapid growth of agentic AI systems in computational chemistry, noting an increase from a handful in 2024 to about fifty by August 2026. These systems are evolving from assisting with specific tasks to autonomously designing, executing, and analyzing in‑silico experiments, even drafting manuscripts. While fully autonomous AI scientists are not yet realized and human oversight remains, the trend toward commoditized generalist agents suggests a future where specialized systems may become obsolete, prompting reflection on the field’s direction and priorities.
By Pavlo O. Dral, Hassan Nawaz, Arif Ullah
As AI agents are increasingly deployed in complex environments, understanding their behaviors becomes critical. Yet behavioral scientific research on AI agents remains manual and labor-intensive.
arXiv:2608. 14407v1 Announce Type: new Abstract: We present a survey of the past and future of AI Scientists: machines capable of automating science.
By Ross D. King
arXiv:2510. 05743v3 Announce Type: replace Abstract: We review the historical development and current trends of artificially intelligent agents (agentic AI) in the social and behavioral sciences: from the first programmable computers, and social simulations soon thereafter, to today's experiments with large language models.
By Petter Holme, Milena Tsvetkova
arXiv:2607. 02703v1 Announce Type: cross Abstract: In this paper, we describe LLMoxie, an institutional AI platform whose three-tiered architecture supports multi-cloud and on-premise inference, a LiteLLM/MLflow control plane for authentication, budgeting, PII masking, and observability, and an application augmentation layer for AI coding agents.
By Landung Setiawan, Anant Mittal, Cordero Core, Anshul Tambay, Carlos Garcia Jurado Suarez, David A. C. Beck, Andrew J. Connolly, Vani Mandava
arXiv:2604. 17406v3 Announce Type: replace Abstract: The convergence of large language models and agents is catalyzing a new era of scientific discovery: Agentic Science.
By Xinyu Zhu, Yuzhu Cai, Zexi Liu, Cheng Wang, Fengyang Li, Wenkai Jin, Wanxu Liu, Zehao Bing, Bingyang Zheng, Jingyi Chai, Shuo Tang, Rui Ye, Yuwen Du, Xianghe Pang, Yaxin Du, Tingjia Miao, Yuzhi Zhang, Ruoxue Liao, Zhaohan Ding, Linfeng Zhang, Yanfeng Wang, Weinan E, Siheng Chen
arXiv:2607. 26064v1 Announce Type: cross Abstract: AI systems are becoming autonomous research agents that generate hypotheses, design experiments, and produce discoveries at scales beyond human oversight.
By Belinda Mo