arXiv AI
Sep 3

Can Coding Agents Reproduce Findings in Computational Materials Science?

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 AI
Sep 18

ScientistTwo: Pioneering the Human Knowledge Frontier with Autonomous AI

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 AI
Jun 8

Act As a Real Researcher: A Suite of Benchmarks Evaluating Frontier LLMs and Agentic Harnesses in Research Lifecycle

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 AI
Jun 12

Benchmarking AI Agents for Addressing Scientific Challenges Across Scales

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