cs.AIOct 6, 2026

Learning to Outgrow a Theory: Experimental Discovery Beyond the Initial Hypothesis Space

Authors: SiYuan Ma, Albert Gao, Chunzheng Zhu, Xin Yan, Wenlong Zhang, Wenxin Zhang, Luqi Gong, Tianlin Li, +1 more

Organizations: Nanyang Technological University · Carnegie Mellon University · Hunan University · Beijing Normal University · University of Science and Technology of China · University of the Chinese Academy of Sciences · Zhejiang Lab · Beihang University

Abstract

Scientific discovery systems typically optimize experiments within a fixed hypothesis space. This creates a failure mode when all available candidates omit the same missing mechanism: candidate disagreement can collapse even while the model class is systematically wrong. We formulate experimental model-class revision, in which a discovery policy jointly proposes a structural edit and a diagnostic experiment that tests whether that edit is necessary. The method couples a class-level distinguishability objective, in which one shared parameterization must explain all selected experiments, with anytime-valid sequential evidence that triggers structural revision only after the current class is rejected. On 400 held-out controlled dynamical environments, the joint policy reaches 89.5% exact recovery with a budget of 32 real experiments, improving the strongest matched baseline by 10.0 percentage points while requiring fewer executed experiments and candidate fits. The learned revision-experiment pairing transfers across unseen mechanism combinations, held-out but expressible primitives, parameter extrapolation, and shifted experiment costs; when the true mechanism is outside the edit grammar, it detects library insufficiency in 88% of cases with a 5.5% false-support rate. Revision gains also transfer to ODEBench and ODEBase model-library tasks, as well as DiscoverPhysics worlds. These results support a view of scientific discovery in which deciding what mechanisms a theory should make expressible and where to collect evidence are treated as a single sequential decision problem.

Explore similar work

CardsList
  1. EvoSCM: Scientific Belief Revision Through Causal Model Evolution and Experimentation

    Sep 1, 2026Qing Zhao, Haowei Li, Weijian Deng +3Belief RevisionStructural Causal Models

  2. LLM-AutoSciLab: Closed-Loop Scientific Discovery via Active Experimentation with LLMs

    May 21, 2026Sanchit Kabra, Nikhil Abhyankar, Saaketh Desai +2Scientific DiscoveryScientific Hypothesis Generation

  3. BayesEvolve: Explicit Belief States for Autonomous Scientific Discovery

    Jun 29, 2026Xuening Wu, Shan Yu, Qianya Xu +1Bayesian OptimizationAutonomous Scientific Discovery