Closed-loop LM-agent auto research finds some transferable gains on molecular property prediction benchmarks via external data but shows non-transfer for model and feature edits selected on validation.
MolAgent: Biomolecular Property Estimation in the Agentic Era
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Closed-loop Auto Research for Molecular Property Prediction: Discovering and Certifying Generalizable Improvements
Closed-loop LM-agent auto research finds some transferable gains on molecular property prediction benchmarks via external data but shows non-transfer for model and feature edits selected on validation.