Marginal conformal prediction under-covers minority classes by tens of points on imbalanced molecular datasets while hitting global coverage; Mondrian calibration recovers the target.
Extended-Connectivity Fingerprints.Journal of Chemical Information and Modeling2010, 50, 742–754
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A Quiet Failure in Calibrated Virtual Screening: Marginal Conformal Prediction Under-Covers the Minority Class, and a Class-Conditional Fix Recovers It
Marginal conformal prediction under-covers minority classes by tens of points on imbalanced molecular datasets while hitting global coverage; Mondrian calibration recovers the target.