ResearchBenchmarksOut-of-distribution detection on QM9 Alchemy ID OOD epsilon_HOMOFollow57.3FPR95Post hoc (Ensemble)55.62466.93778.2589.563Mar 2, 2026Evaluation ResultsMethodMethodLinksFPR95AUROCPost hoc (Ensemble)2026.0357.386.7β-NLL2026.0386.570.8Nat. NLL2026.0386.868.6Naïve NLL2026.0388.268Homo. NLL2026.039550Faithful2026.0399.239.9