TABLE 1.
Model | Data matrix | Calibration set | Validation set | |||||
---|---|---|---|---|---|---|---|---|
Misclassified samples | Not-assigned samples | Se | Sp | Ac | Misclassified or not-assigned samples | Ac | ||
PLS-DA | EN | 3 | 0 | 0.9400 | 0.9800 | 0.9700 | 1 | 0.9706 |
EE | 2 | 0 | 1.0000 | 0.9700 | 0.9800 | 1 | 0.9706 | |
ET | 1 | 0 | 0.9700 | 1.0000 | 0.9900 | 1 | 0.9706 | |
HPLC | 2 | 0 | 0.9700 | 0.9800 | 0.9800 | 0 | 1.0000 | |
Data fusion by PCs | 0 | 0 | 1.0000 | 1.0000 | 1.0000 | 1 | 0.9706 | |
Data fusion by LVs | 0 | 0 | 1.0000 | 1.0000 | 1.0000 | 0 | 1.0000 | |
SVM | EN | 8 | 0 | 0.9100 | 0.9200 | 0.9200 | 4 | 0.8824 |
EE | 1 | 0 | 1.0000 | 0.9800 | 0.9900 | 1 | 0.9706 | |
ET | 10 | 0 | 1.0000 | 0.9800 | 0.9000 | 2 | 0.9412 | |
HPLC | 6 | 0 | 0.8500 | 0.9800 | 0.9400 | 0 | 1.0000 | |
Data fusion by PCs | 0 | 0 | 1.0000 | 1.0000 | 1.0000 | 1 | 0.9706 | |
Data fusion by LVs | 0 | 0 | 1.0000 | 1.0000 | 1.0000 | 0 | 1.0000 | |
BP-NN | EN | 2 | 0 | 0.9400 | 1.0000 | 0.9800 | 1 | 0.9706 |
EE | 1 | 0 | 1.0000 | 0.9800 | 0.9900 | 1 | 0.9706 | |
ET | 1 | 1 | 1.0000 | 0.9800 | 0.9800 | 1 | 0.9706 | |
HPLC | 5 | 0 | 0.9100 | 0.9700 | 0.9500 | 0 | 1.0000 | |
Data fusion by PCs | 1 | 0 | 1.0000 | 0.9800 | 0.9900 | 1 | 0.9706 | |
Data fusion by LVs | 1 | 0 | 1.0000 | 0.9800 | 0.9900 | 1 | 0.9706 |
The bold values indicate the optimal model.