Scientific discovery is fundamentally an optimization problem, defined by a vast "state space" of theories and experiments, and an evaluation criterion based on quality, novelty, and validity. Large language models (LLMs) have enabled automated exploration of this space, but we argue that simultaneous modification of the evaluation criteria is equally important.
arXiv:2606. 10587v1 Announce Type: cross Abstract: Large language models (LLMs) are on the rise for accelerating scientific discovery, most recently in advanced tasks such as generating valid scientific hypotheses.
By Haorui Wang, Parshin Shojaee, Kazem Meidani, Kunyang Sun, Jos\'e Miguel Hern\'andez-Lobato, Teresa Head-Gordon, Jiajun He, Chandan K. Reddy, Chao Zhang, Yuanqi Du
arXiv:2606. 02863v1 Announce Type: new Abstract: AI-Driven Research Systems (ADRS) -- systems coupling LLMs with automated evaluation to discover algorithms, proofs, and designs -- are being optimized and adopted across domains, but the tools to analyze them have not kept pace.
By Marquita Ellis, Paul Castro
arXiv:2602. 06448v2 Announce Type: replace-cross Abstract: Large Language Model (LLM)-based scientific agents have accelerated scientific discovery, yet they often suffer from significant inefficiencies due to adherence to fixed initial priors.
By Yingming Pu, Tao Lin, Hongyu Chen
arXiv:2604. 19341v2 Announce Type: replace-cross Abstract: Scientific discovery often requires many cycles of proposing, testing, and refining candidate solutions.
By Haotian Ye, Haowei Lin, Jingyi Tang, Yizhen Luo, Rahul Thapa, Caiyin Yang, Chang Su, Rui Yang, Ruihua Liu, Rundao Li, Zeyu Li, Pengwei Sun, Chong Gao, Dachao Ding, Guangrong He, Miaolei Zhang, Lina Sun, Wenyang Wang, Yuchen Zhong, Zhuohao Shen, Puheng Li, Pan Lu, Bianxiao Cui, Di He, Jianzhu Ma, Junfeng Li, Hexi Baoyin, Yejin Choi, Stefano Ermon, Xiaowen Chu, Tongyang Li, Yuzhi Xu, James Zou
arXiv:2607. 28631v1 Announce Type: new Abstract: AI Scientist systems capable of autonomous research have the potential to significantly accelerate scientific discovery.
By Vaibhava Lakshmi Ravideshik, Mayank Kejriwal
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:2608. 15669v1 Announce Type: new Abstract: Scientific discovery often involves optimising expensive-to-evaluate objectives over vast, structured, and open-ended hypothesis spaces, such as molecules, protein sequences, and computer programs.
By Zhongwei Yu, Yan Song, Xue Yan, Anjie Liu, Xingyu Lu, Yihang Chen, Huichi Zhou, Siyuan Guo, Luoyang Sun, Sihan Chen, Xiangning Yu, Jun Wang
arXiv:2607. 24647v1 Announce Type: new Abstract: AI-driven autonomous research (AR) systems are becoming increasingly effective across a broad range of tasks.
By Haiqian Yang, Yuan Cao
arXiv:2512. 03476v3 Announce Type: replace-cross Abstract: Progress in computational science depends on complex numerical workflows that must faithfully encode physical laws, yet translating conceptual insight into reliable code remains a major bottleneck.
By Juan Diego Toscano, Daniel T. Chen, George Em Karniadakis
arXiv:2606. 29082v1 Announce Type: cross Abstract: Would experience designing faster GPU kernels also help close in on a long-standing open mathematical conjecture?
By Young-Jun Lee, Seungone Kim, Minki Kang, Alistair Cheong Liang Chuen, Zerui Chen, Seungho Han, Taehee Jung, Dongyeop Kang
arXiv:2607. 09025v1 Announce Type: cross Abstract: Artificial intelligence (AI) is shifting scientific discovery from task-specific workflows towards autonomous systems that organize exploration with experimental and human feedback in open-ended candidate spaces.
By Chao Wang, Lingling Li, Fang Liu, Licheng Jiao