Table 2 Balanced accuracies obtained by the ML models for the calibration and test data.
From: Prediction of Absorption Spectrum Shifts in Dyes Adsorbed on Titania
Method | B:N:R | NB:R | B:NR | |||
|---|---|---|---|---|---|---|
TRAIN | TEST | TRAIN | TEST | TRAIN | TEST | |
GBM | 0.68 | 0.71 | 0.73 | 0.72 | 0.73 | 0.72 |
RF | 0.71 | 0.76 | 0.76 | 0.80 | 0.76 | 0.80 |
CART | 0.61 | 0.61 | 0.65 | 0.65 | 0.65 | 0.65 |
k-NN | 0.65 | 0.70 | 0.71 | 0.66 | 0.71 | 0.66 |
LDA | 0.52 | 0.53 | 0.60 | 0.59 | 0.60 | 0.59 |
SVM | 0.71 | 0.73 | 0.77 | 0.79 | 0.77 | 0.79 |
