A Quiet Failure in Calibrated Virtual Screening: Marginal Conformal Prediction Under-Covers the Minority Class, and a Class-Conditional Fix Recovers It
Muhammadjon Tursunbadalov, Mustafojon Tursunbadalov
School of Science and Technology, Champions College Prep, United States · School of Science and Technology, Champions College Prep, United States
cs.LG, stat.ML
Submitted: 2026-07-07
Comments: 16 pages, 6 figures
License: http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Terminology
Sources
- A Gentle Introduction to Conformal Prediction and Distribution-Free Uncertainty Quantification
- Fast Graph Representation Learning with PyTorch Geometric
- ChemBERTa: Large-Scale Self-Supervised Pretraining for Molecular Property Prediction
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