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Molecular Property Classification on BACE (dev)

0.3Δ ID ChurnMC dropout
-10.932-8.016-5.1-2.184May 13, 2026

Evaluation results

MethodLinks
MC dropoutSide=Parameter-side2026.050.3
Deep Ens.Side=Parameter-side, K=52026.05-0.3
BaggingSide=Data-side, K=22026.05-2.8
BaggingSide=Data-side, K=52026.05-6.5
Twin-bootstrapSide=Data-side, λ=3002026.05-10.5