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:2608. 02642v1 Announce Type: cross Abstract: Accelerating scientific discovery is among the most consequential applications of AI, and computational biomolecular simulation stands out as a particularly promising target within this broader effort.
By Nithishwer Mouroug Anand, Wei-Tse Hsu, Kyle Vaccaro, Eden James Gage, Jonathan David Colburn, Linda Xi Phan, Minjoon Seo, Kevin Guan, Philip C. Biggin
arXiv:2606. 19245v1 Announce Type: new Abstract: Artificial intelligence (AI) agents promise to accelerate drug discovery by compressing interpretation and decision-making loops, but practical deployment requires trusted evaluation on realistic program decisions.
By Hannah Le, Ramesh Ramasamy, Alex Urrutia, Mahsa Yazdani, Tim Proctor, Kenny Workman
arXiv:2502. 18864v2 Announce Type: replace Abstract: Scientific discovery is driven by scientists generating novel hypotheses for complex problems that undergo rigorous experimental validation.
By Juraj Gottweis, Wei-Hung Weng, Alexander Daryin, Tao Tu, Petar Sirkovic, Artiom Myaskovsky, Grzegorz Glowaty, Felix Weissenberger, Alessio Orlandi, Dan Popovici, Anil Palepu, Keran Rong, Ryutaro Tanno, Khaled Saab, Fan Zhang, Jacob Blum, Andrew Carroll, Kavita Kulkarni, Nenad Tomasev, Dina Zverinski, Ivor Rendulic, Elahe Vedadi, Florian Hasler, Luka Rimanic, Marina Boia, Ivan Budiselic, Ben Feinstein, Mathias Bellaiche, Tom Sheffer, Jan Freyberg, Jeremy Ratcliff, Ottavia Bertolli, Katherine Chou, Avinatan Hassidim, Burak Gokturk, Amin Vahdat, Yuan Guan, Vikram Dhillon, Eeshit Dhaval Vaishnav, Byron Lee, Tiago R D Costa, Jos\'e R Penad\'es, Gary Peltz, Yossi Matias, James Manyika, Demis Hassabis, Yunhan Xu, Pushmeet Kohli, Annalisa Pawlosky, Alan Karthikesalingam, Vivek Natarajan
arXiv:2608. 05144v1 Announce Type: new Abstract: Long-horizon reasoning requires an agentic runtime that can persist when evidence supports its current approach and pivot when measurements reveal failure, hidden constraints, or a misspecified objective.
By Boxiu Li, Zimo Wen, Yijia Fan, Junxiang Lei, Sufeng Guo, Jiaao Wu, Ruize Tang, Mukai Li, Yifei Shen, Xiaoyu Chen, Wanbo Zhang, Runjing Gu, Yifei Gao, Yuheng Wu, Xuyao Huang, Zelong Zhao, Jiachen Zhang, Shibo Hu, Hangxi Guo, Yilin Chen, Yuzhe Zhang, Fan Yang, Chuan Wen, Xian Zhang, Xuanhe Zhou, Zhijie Deng
arXiv:2608. 05144v2 Announce Type: replace Abstract: Long-horizon reasoning requires an agentic runtime that can persist when evidence supports its current approach and pivot when measurements reveal failure, hidden constraints, or a misspecified objective.
By Boxiu Li, Zimo Wen, Yijia Fan, Chuan Wen, Fan Yang, Hangxi Guo, Jiaao Wu, Jiachen Zhang, Junxiang Lei, Mukai Li, Ruize Tang, Runjing Gu, Shibo Hu, Sihan Chen, Sufeng Guo, Wanbo Zhang, Xian Zhang, Xiaoyu Chen, Xuanhe Zhou, Xuyao Huang, Yifei Gao, Yifei Shen, Yilin Chen, Yuheng Wu, Yuzhe Zhang, Zelong Zhao, Zhijie Deng