arXiv Machine Learning

Automating ML for Science: Can Frontier Agents Climb Scientific Hills in the Wild?

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 9

EvoMaster: A Foundational Evolving Agent Framework for Agentic Science at Scale

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 AI
Jun 9

ResearchClawBench: A Benchmark for End-to-End Autonomous Scientific Research

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 AI
Aug 14

PhysMaster: Building an Autonomous AI Physicist for Theoretical and Computational Physics Research

arXiv:2512. 19799v2 Announce Type: replace Abstract: Advances in LLM reasoning and tool use have enabled agentic science, yet frontier theoretical and computational physics remains challenging because research requires deep domain expertise, long-horizon reasoning, and reliable numerical computation.

By Tingjia Miao, Wenkai Jin, Jinxin Tan, Muhua Zhang, Xianghe Pang, Zexi Liu, Yuwen Du, Tian Jin, Tu Guo, Zhengliang Zhang, Jingkun Liu, Yuelin Hu, Jiejun Zhang, Yunjie Huang, Yuhan Wang, Wenbo Li, Yinuo Gao, Shuo Chen, Rui Ye, Yuzhi Zhang, Linfeng Zhang, Kun Chen, Wei Wang, Weinan E, Siheng Chen
arXiv AI
Jul 14

FIRE-Bench: Evaluating AI Agents on the Rediscovery of Scientific Insights

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 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
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
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 Computation and Language
Oct 9

SAIL: Scientific Agentic Intelligence via a Science-Aware Loop

SAIL is an open model with 35 B total and 3 B active parameters designed for literature research, scientific coding, and multi‑step research workflows. It is developed through a science‑aware improvement loop in which agents built on frontier AI models analyze task failures, create training tasks to address capability gaps, and iterate this process across multiple development cycles. The training pipeline combines supervised fine‑tuning, specialist training, multi‑teacher on‑policy distillation, and agentic reinforcement learning, enabling SAIL to achieve competitive performance on scientific research tasks with fewer parameters than leading open‑weight models.

By SAIL Model Team, Boyuan Sun, Bryan Dai, Che Liu, Chi Liu, Derek Li, Hongming Piao, Mengzhuo Chen, Xidong Wang, Yan Shu, Yinda Chen, Ziyang Zeng