18-Mar-2024, 15:41:29
---------------------------------------------------------
GNN TRAINING AND PERFORMANCE
Best epoch: 39
Dataset Size = 300
***************
Training set
Set size = 180
R2 = 0.912
MAE = 0.139
RMSE = 0.177
Mean Bias Error = -0.032
Mean Absolute Percentage Error = 0.046
Error Standard Deviation = 0.174
***************
Validation set
Set size = 60
R2 = 0.943
MAE = 0.119
RMSE = 0.172
Mean Bias Error = -0.040
Mean Absolute Percentage Error = 0.038
Error Standard Deviation = 0.168
***************
Test set
Set size = 60
R2 = 0.872
MAE = 0.172
RMSE = 0.233
Mean Bias Error = -0.086
Mean Absolute Percentage Error = 0.054
Error Standard Deviation = 0.217
---------------------------------------------------------
OUTLIERS (TEST SET)
01) 286.vasp    Error: -0.74 eV    (index=49)
