arXiv AI
Jun 30

Evidence-Informed LLM Beliefs for Continual Scientific Discovery

arXiv:2606. 29182v1 Announce Type: new Abstract: Open-ended scientific discovery with large language models (LLMs) increasingly operates as a long-horizon loop of hypothesis search and verification, where a reward signal guides which hypotheses to test next.

By Dhruv Agarwal, Reece Adamson, Andrew McCallum, Peter Clark, Ashish Sabharwal, Bodhisattwa Prasad Majumder
arXiv AI
Oct 26

Principia: Test-Time Hypotheses to Principle Construction for Scientific Discovery

Principia is an LLM-based framework that constructs and refines scientific principles during test-time discovery. It generates comparative causal hypotheses from related inputs and outcomes, synthesizes recurring relationships into inductive principles, and iteratively updates these principles as new observations are obtained. Across benchmarks in molecular optimization, protein engineering, gene perturbation, and molecular property prediction, Principia outperforms baselines that rely on internal knowledge, external sources, or experience summaries, producing plausible principles consistent with scientific literature.

By Dongki Kim, Sangwoo Park, Jinheon Baek, Soyeong Jeong, Sung Ju Hwang