arXiv AI

Scientific discovery as meta-optimization: a combinatorial optimization case study

arXiv:2606. 26728v1 Announce Type: new Abstract: 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.

Hugging Face Trending Papers
Jun 25

Scientific discovery as meta-optimization: a combinatorial optimization case study

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 AI
Jun 10

Towards Diverse Scientific Hypothesis Search with Large Language Models

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 AI
Jul 29

Structured Scaling of AI Discovery Across Diverse Scientific Domains

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 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 Machine Learning
1d ago

Large Discovery Models: Empirically-grounded Model-Based Open-Ended Search

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