The paper introduces AutoMat, a benchmark designed to test large language model (LLM) coding agents on their ability to reproduce claims from computational materials science. AutoMat presents three challenges: reconstructing underspecified procedures, navigating specialized toolchains, and assessing whether the evidence supports a claim. Experiments show that current LLM agents achieve low success rates, with the best setting reaching only 53%, and failures stem mainly from incomplete procedures, methodological deviations, and execution fragility.
By Ziyang Huang, Yi Cao, Ali K. Shargh, Jing Luo, Ruidong Mei, Mohd Zaki, Zhan Liu, Wyatt Bunstine, William Jurayj, Somdatta Goswami, Tyrel McQueen, Michael Shields, Jaafar El-Awady, Paulette Clancy, Benjamin Van Durme, Nicholas Andrews, William Walden, Daniel Khashabi
The paper introduces ScientistTwo, a fully autonomous multi‑agent framework that takes a scientific problem, establishes baselines, generates hypotheses, and coordinates specialized agents to conduct an end‑to‑end discovery cycle without human intervention. It rigorously tests and refines its methods through automated experiments, ablation studies, and a closed‑loop peer‑review engine. Benchmarking against top conferences (ICLR, ICML, NeurIPS) shows that ScientistTwo produces expert‑level, publishable papers and codebases that outperform human state‑of‑the‑art models and receive higher review ratings under automated AI review.
By Jaehyun Nam, Jinsung Yoon, Yanzhou Pan, Yubo Wang, Rui Meng, Parthasarathy Ranganathan, Tomas Pfister
arXiv:2606. 07462v1 Announce Type: new Abstract: As foundation models advance and agent scaffolding becomes increasingly sophisticated, agents have demonstrated remarkable proficiency in complex, long-horizon coding tasks and even autonomous experiment execution.
By Jiayu Wang, Weijiang Lv, Bowen Fu, Jing Fu, Jiayi Song, Lingyu Zhang, Lanxuan Xue, Luodi Chen, Zepeng Xin, Kaiyu Li, Xiangyong Cao
arXiv:2606. 15497v1 Announce Type: new Abstract: The automation of science is a long-standing ambition in the field of AI.
By Yutaro Yamada, Robert Tjarko Lange, Cong Lu, Chris Lu, Shengran Hu, Jakob Foerster, David Ha, Jeff Clune
arXiv:2409. 11363v2 Announce Type: replace-cross Abstract: AI agents have the potential to aid users on a variety of consequential tasks, including conducting scientific research.
By Zachary S. Siegel, Sayash Kapoor, Nitya Nadgir, Benedikt Stroebl, Arvind Narayanan
arXiv:2606. 12736v1 Announce Type: new Abstract: AI agents are increasingly being developed to accelerate scientific discovery, yet their practical capabilities in real research settings remain poorly understood.
By Tianyu Liu, Allen Xin Wang, Antonia Panescu, Lisa Xinyi Chen, Wenxin Long, Xinyu Wei, Yueqian Jing, Ziyao Zeng, Jihang Chen, Sihan Jiang, Ziqing Wang, Siyi Gu, Siyu Chen, Xinyang Hu, Haoran Shao, Leqi Xu, Wangjie Zheng, Zhiyuan Cao, Ada Fang, Botao Yu, Kunyang Sun, Rex Ying, Arman Cohan, Qingyu Chen, Lingzhou Xue, Kaize Ding, Yuanqi Du, Wengong Jin, Zhuoran Yang, Marinka Zitnik, James Zou, Hua Xu, Hongyu Zhao
arXiv:2606. 31229v1 Announce Type: new Abstract: Ideation plays a pivotal role in scientific discovery.
By Keyu Zhao, Lingyan Kong, Fengli Xu, Yong Li
arXiv:2608. 05179v1 Announce Type: cross Abstract: Large language model (LLM) agents are increasingly used across the scientific research lifecycle: ideation, literature search, experiment design and execution, analysis, manuscript drafting, and review.
By Tianyu Ding, Aditya Nannapaneni, Bingfan Liu, Ling Zhang
arXiv:2606. 07591v1 Announce Type: cross Abstract: AI coding agents are increasingly used for scientific work, but their end-to-end autonomous research capability remains difficult to verify.
By Wanghan Xu, Shuo Li, Tianlin Ye, Qinglong Cao, Yixin Chen, Hengjian Gao, Yiheng Wang, Qi Li, Kun Li, Sheng Xu, Shengdu Chai, Fangchen Yu, Xiangyu Zhao, Zhangrui Zhao, Weijie Ma, Zijie Guo, Haoyu Zhou, Haoxiang Yin, Lixue Cheng, Chaofan Hu, Haoxuan Li, Lu Mi, Xuxuan Xie, Yifan Zhou, Ruizhe Chen, Zhiwang Zhou, Xingjian Guo, Yuhao Zhou, Xuming He, Shengyuan Xu, Xinyu Gu, Jiamin Wu, Mianxin Liu, Chunfeng Song, Fenghua Ling, Dongzhan Zhou, Shixiang Tang, Yuqiang Li, Mao Su, Peng Ye, Siqi Sun, Bin Wang, Xue Yang, Zhenfei Yin, Tianfan Fu, Guangtao Zhai, Wanli Ouyang, Bo Zhang, Lei Bai, Wenlong Zhang
arXiv:2606. 13662v1 Announce Type: new Abstract: LLM-based agents have shown increasing potential in automating scientific discovery.
By Amy Xin, Jiening Siow, Junjie Wang, Zijun Yao, Fanjin Zhang, Jian Song, Lei Hou, Juanzi Li
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. 14178v1 Announce Type: new Abstract: Recent advances in Large Language Models have fueled autonomous AI agents capable of tackling complex scientific tasks, yet existing automated research systems remain predominantly focused on empirically driven domains with quantitative benchmarks, leaving theory-driven discovery, particularly in mathematically grounded disciplines requiring rigorous proofs and synthesis of domain knowledge, largely underexplored.
By Yutong He, Daibo Li, Guohong Li, Jiahe Geng, Zhengyang Huang, Can Ren, Zekun Zhang, Yifan Liu, Shuchen Zhu, Hengrui Zhang, Boao Kong, Ming Sun, Shu Li, Chenyi Li, Jiang Hu, Kun Yuan, Zaiwen Wen, Pingwen Zhang