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Energy Prediction on OMol25 val-derived (test)
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42.2
MAE
homoskedastic regression
41.46
46.455
51.45
56.445
Mar 2, 2026
MAE
NLL
ECE
Updated 1mo ago
Evaluation Results
Method
Method
Links
MAE
NLL
ECE
homoskedastic regression
Model=AllScAIP, Varian...
2026.03
42.2
-0.354
18.6
post-hoc linear variance predictor
Model=AllScAIP, Varian...
2026.03
42.2
-1.59
2.5
post-hoc variance ensemble
Model=AllScAIP, Varian...
2026.03
42.2
-1.94
5.3
homoskedastic regression
Model=UMA, Variance Es...
2026.03
60.7
0.29
20.9
post-hoc linear variance predictor
Model=UMA, Variance Es...
2026.03
60.7
2.07
10.5
post-hoc variance ensemble
Model=UMA, Variance Es...
2026.03
60.7
-1.36
13.3
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