arXiv:2605. 26179v2 Announce Type: replace-cross Abstract: Density functional theory (DFT) serves as the basis for computational discovery in materials science and chemistry, yet each calculation demands extensive human effort: adjusting algorithms when convergence stalls, revising plans when unexpected physics emerges, and inserting steps as intermediate results reshape the problem.
By Penghui Yang, Zhonghan Zhang, Yue Li, Xinrun Wang, Yanchen Deng, Yuhao Lu, Bijun Tang, Zheng Liu, Bo An
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:2606. 02484v1 Announce Type: new Abstract: Recent advances in large language models and agentic AI systems have enabled significant progress in mathematical discovery, from solving competition problems to tackling research-level conjectures.
By Leheng Chen, Zihao Liu, Wanyi He, Bin Dong
arXiv:2603. 05290v2 Announce Type: replace Abstract: Large language models (LLMs) achieve promising performance, yet their ability to reason remains poorly understood.
By Tianxi Gao, Yufan Cai, Yusi Yuan, Jin Song Dong
arXiv:2607. 06820v1 Announce Type: new Abstract: Recent advances in AI for Mathematics have focused largely on autoformalization and theorem proving, leaving the role of Computer Algebra Systems (CAS) in agentic LLM workflows underexplored.
By Pavel Snopov, German Magai
arXiv:2607. 28942v1 Announce Type: new Abstract: Recently Large Language Models (LLMs) have been increasingly deployed as autonomous agents in applications such as self-reflection, retrieval-augmented generation, and scientific discovery.
By Duo Xu, Faramarz Fekri