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
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:2602. 02905v2 Announce Type: replace Abstract: 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.
By Zhen Wang, Fan Bai, Zhongyan Luo, Jinyan Su, Kaiser Sun, Xinle Yu, Jieyuan Liu, Kun Zhou, Claire Cardie, Mark Dredze, Zhiting Hu, Eric P. Xing
arXiv:2603. 29139v2 Announce Type: replace Abstract: Recent advances in large language models (LLMs) have enabled agentic systems to translate natural-language intent into executable scientific visualization (SciVis) tasks.
By Kuangshi Ai, Haichao Miao, Kaiyuan Tang, Nathaniel Gorski, Jianxin Sun, Guoxi Liu, Helgi I. Ingolfsson, David Lenz, Hanqi Guo, Hongfeng Yu, Teja Leburu, Michael Molash, Bei Wang, Tom Peterka, Chaoli Wang, Shusen Liu
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:2608.31076v1 Announce Type: cross
Abstract: Autonomous scientific research agents are increasingly applied to end-to-end scientific workflows, including literature review, data analysis, experi...
By Xuehai Wang, Haowei Qin, Tongxin Liu, Junkai Li, Buqiang Xu, Jintian Zhang, Yijun Chen, Zirui Xue, Shumin Deng
Autonomous scientific research agents are increasingly applied to end-to-end scientific workflows, including literature review, data analysis, experimentation, and report generation. However, open-end...
arXiv:2608. 19799v1 Announce Type: new Abstract: Software increasingly functions as part of the scientific instrument itself, making failures in scientific code capable of compromising not only program behavior but also the evidence underlying scientific conclusions.
By Zhipeng Xu, Jiahao Lu, Yining Zheng, Yuxin Wang, Xipeng Qiu
arXiv:2608. 07346v2 Announce Type: replace Abstract: With the rapid advancement of large language models (LLMs), harnesses have become essential infrastructure for deploying agents across a wide range of domains.
By Haoning Wang, Mingxun Zhang, Chenyue Yu, Yingjun Shang, Xia Hu, Guanchu Wang, Na Zou
arXiv:2606. 05525v1 Announce Type: new Abstract: Recent advances in agentic visualization have enabled the translation of natural language into executable scientific visualization (SciVis) workflows.
By Kuangshi Ai, Haichao Miao, Kaiyuan Tang, Shusen Liu, Chaoli Wang
arXiv:2608. 07346v1 Announce Type: new Abstract: With the rapid advancement of large language models (LLMs), harnesses have become essential infrastructure for deploying agents across a wide range of domains.
By Haoning Wang, Mingxun Zhang, Chenyue Yu, Yingjun Shang, Xia Hu, Guanchu Wang, Na Zou