Test ROC-AUC: 0.8225 ± 0.0001Validation ROC-AUC: 0.8396 ± 0.0001Number of params: 47085378Ext. data: No
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Graph Property Prediction
논문
Standardized MAE: 0.52logMAE: -6.41alpha (ma): 28gap (meV): 19.8
Test ROC-AUC: 0.8094 ± 0.0057Validation ROC-AUC: 0.8277 ± 0.0099Number of params: 239745Ext. data: No
Test ROC-AUC: 0.8039 ± 0.0040Validation ROC-AUC: 0.8279 ± 0.0059Number of params: 4600000Ext. data: No
Standardized MAE: 1.23logMAE: -5.43alpha (ma): 71gap (meV): 48
Standardized MAE: 0.70logMAE: -5.82alpha (ma): 46gap (meV): 30
Standardized MAE: 0.67logMAE: -5.87alpha (ma): 47gap (meV): 29
Standardized MAE: 1.08logMAE: -5.27alpha (ma): 60gap (meV): 42
Test ROC-AUC: 0.806 ± 0.0065
Test ROC-AUC: 0.8126 ± 0.0032Ext. data: Yes
Test ROC-AUC: 0.8039 ± 0.0090Validation ROC-AUC: 0.8473 ± 0.0096Number of params: 114211Ext. data: No
Test ROC-AUC: 0.8067 ± 0.0950Validation ROC-AUC: 0.8347 ± 0.0031Number of params: 249602Ext. data: No
Test ROC-AUC: 0.8352 ± 0.0054Validation ROC-AUC: 0.8238 ± 0.0061Number of params: 3444509Ext. data: No
Test ROC-AUC: 0.8232 ± 0.0047Validation ROC-AUC: 0.8331 ± 0.0054Number of params: 2425102Ext. data: No
Test ROC-AUC: 0.7986 ± 0.0105Validation ROC-AUC: 0.8080 ± 0.0278
Standardized MAE: 0.84logMAE: -5.90alpha (ma): 59gap (meV): 36.1
Test ROC-AUC: 0.8040 ± 0.0164Validation ROC-AUC: 0.8329 ± 0.0158Number of params: 1076633Ext. data: No