Procedural Pretraining for Molecular Property Prediction

Researchers explored procedural pretraining for molecular property prediction, finding it can improve performance even after molecular pretraining. A three-stage training pipeline was used, consisting of procedural pretraining, molecular pretraining, and downstream fine-tuning. Results showed a 4.8% reduction in test error for Lipophilicity, and the benefit was strongest under data scarcity.

RSS Score 0 9/17/2026, 4:00:00 AM Original Source
Save an API key to vote.