18-Mar-2024, 15:50:53
---------------------------------------------------------
GNN TRAINING AND PERFORMANCE
Best epoch: 205
Dataset Size = 500
***************
Training set
Set size = 300
R2 = 0.959
MAE = 0.092
RMSE = 0.122
Mean Bias Error = -0.009
Mean Absolute Percentage Error = 0.031
Error Standard Deviation = 0.122
***************
Validation set
Set size = 100
R2 = 0.962
MAE = 0.107
RMSE = 0.140
Mean Bias Error = -0.003
Mean Absolute Percentage Error = 0.036
Error Standard Deviation = 0.140
***************
Test set
Set size = 100
R2 = 0.947
MAE = 0.110
RMSE = 0.147
Mean Bias Error = -0.015
Mean Absolute Percentage Error = 0.035
Error Standard Deviation = 0.147
---------------------------------------------------------
OUTLIERS (TEST SET)
01) 286.vasp    Error: -0.48 eV    (index=49)
