Table 1 Performance results of HEA classifier based on 12 distinct ML models.
From: Design of high bulk moduli high entropy alloys using machine learning
Model | Accuracy | Precision | Recall | F1_score | AUC_ROC | |||||
|---|---|---|---|---|---|---|---|---|---|---|
Train | Test | Train | Test | Train | Test | Train | Test | Train | Test | |
LR | 0.71 | 0.69 | 0.73 | 0.66 | 0.56 | 0.54 | 0.63 | 0.59 | 0.70 | 0.67 |
SVC | 0.87 | 0.78 | 0.87 | 0.76 | 0.83 | 0.70 | 0.85 | 0.73 | 0.87 | 0.77 |
NuSVC | 0.86 | 0.78 | 0.87 | 0.76 | 0.82 | 0.69 | 0.84 | 0.72 | 0.86 | 0.76 |
SGD | 0.70 | 0.66 | 0.66 | 0.58 | 0.69 | 0.65 | 0.67 | 0.61 | 0.70 | 0.66 |
KNC | 0.80 | 0.76 | 0.81 | 0.74 | 0.73 | 0.67 | 0.77 | 0.70 | 0.79 | 0.75 |
GBC | 0.99 | 0.77 | 0.99 | 0.73 | 0.98 | 0.71 | 0.99 | 0.72 | 0.99 | 0.76 |
AC | 0.76 | 0.72 | 0.75 | 0.67 | 0.68 | 0.65 | 0.71 | 0.66 | 0.75 | 0.71 |
RFC | 0.93 | 0.76 | 0.96 | 0.75 | 0.89 | 0.65 | 0.92 | 0.70 | 0.93 | 0.75 |
XGB | 0.99 | 0.77 | 0.99 | 0.75 | 0.99 | 0.70 | 0.99 | 0.72 | 0.99 | 0.76 |
DTC | 0.69 | 0.65 | 0.62 | 0.56 | 0.80 | 0.78 | 0.70 | 0.65 | 0.70 | 0.67 |
ETC | 0.87 | 0.74 | 0.96 | 0.74 | 0.74 | 0.57 | 0.84 | 0.65 | 0.86 | 0.72 |
GNB | 0.48 | 0.46 | 0.46 | 0.43 | 1.00 | 0.99 | 0.63 | 0.60 | 0.53 | 0.53 |