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Benchmarks
Out-of-distribution detection on QM9 Alchemy ID OOD Target U0
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38.4
FPR95
Naïve NLL
36.136
51.418
66.7
81.982
Mar 2, 2026
FPR95
AUROC
Updated 1mo ago
Evaluation Results
Method
Method
Links
FPR95
AUROC
Naïve NLL
2026.03
38.4
0.914
β-NLL
2026.03
45.4
0.895
Nat. NLL
2026.03
74.9
0.638
Faithful
2026.03
81.8
0.649
Post hoc (Ensemble)
2026.03
82.7
0.709
Homo. NLL
2026.03
95
0.5
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