arXiv:2602. 17902v2 Announce Type: replace Abstract: Large language models (LLMs) can plan scientific workflows and generate code, but these capabilities do not specify how scientific state is validated, transferred and recorded across heterogeneous computational and experimental operations.
By Jiaru Bai, Abdulrahman Aldossary, Thomas Swanick, Marcel M\"uller, Yeonghun Kang, Changhyeok Choi, Naruki Yoshikawa, Zijian Zhang, Jin Won Lee, Tsz Wai Ko, Aiwei Yin, Mohammad Ghazi Vakili, Chris Crebolder, Varinia Bernales, Al\'an Aspuru-Guzik
arXiv:2608. 07637v1 Announce Type: new Abstract: Long-running molecular simulation campaigns require repeated continuation from saved states, provenance-aware progression, adaptive assessment, and occasional interpretation of workflow conditions that cannot be resolved safely by fixed rules.
By Yijie Wang, Zhen-Yu Yin, Zhenheng Tang, Xiaowen Chu
arXiv:2608. 06961v1 Announce Type: new Abstract: Early-stage molecular design is an iterative process, not just a task of generating molecules.
By Zhu Wang, Jiangyu Chen, Yingjun Shang, Yuhui Yao, Laiao Lu, Tianfan Fu, Na Zou
arXiv:2604. 22748v2 Announce Type: replace Abstract: As AI systems move from generating text to accomplishing goals through sustained interaction, the ability to model environment dynamics becomes a central bottleneck.
By Meng Chu, Xuan Billy Zhang, Kevin Qinghong Lin, Lingdong Kong, Jize Zhang, Teng Tu, Weijian Ma, Ziqi Huang, Senqiao Yang, Wei Huang, Yeying Jin, Zhefan Rao, Jinhui Ye, Xinyu Lin, Xichen Zhang, Qisheng Hu, Shuai Yang, Leyang Shen, Wei Chow, Yifei Dong, Fengyi Wu, Quanyu Long, Bin Xia, Shaozuo Yu, Mingkang Zhu, Wenhu Zhang, Jiehui Huang, Haokun Gui, Runyi Li, Shiyi Du, Xu Huang, Dong Huang, Rui Liu, Chenyu Tang, Xuhang Chen, Chengzu Li, Haoxuan Che, Long Chen, Qifeng Chen, Wenxuan Zhang, Wenya Wang, Xiaojuan Qi, Yang Deng, Yanwei Li, Mike Zheng Shou, Zhi-Qi Cheng, See-Kiong Ng, Ziwei Liu, Philip Torr, Jiaya Jia
arXiv:2608. 11224v1 Announce Type: new Abstract: Materials research advances through accumulated experience - scripts that work, protocols that are trusted, warnings attached to failed calculations or experiments, and judgement that links a new question to an old result.
By Siyu Liu, Bo Hu, Beilin Ye, He Cao, David J. Srolovitz, Tongqi Wen
arXiv:2607. 15854v1 Announce Type: cross Abstract: Coding agents can fix a failing example without preserving the domain rule that made it fail, so later generations can repeat the same plausible mistake.
By Muness Castle, Eric Rubeck