Table 5 The table shows the test MAE of the SC model, proposed TL model and % error change for each of the target materials properties for prediction task of ‘Other Materials Class Data’.
Property | Data Size | Base | MAE of SC Model | MAE of Proposed TL Model | % Error Change |
|---|---|---|---|---|---|
b3lyp gap (eV) | 4854 | 0.00986 | 0.00062 | 0.00055 | -11.29 |
b3lyp homo (eV) | 4854 | 0.00632 | 0.00047 | 0.00040 | -14.89 |
b3lyp lumo (eV) | 4854 | 0.00968 | 0.00044 | 0.00038 | -13.64 |
b3lyp scharber jsc (mAcm−2) | 4854 | 25.05731 | 1.18286 | 1.15373 | -2.46 |
b3lyp scharber pce (%) | 4854 | 0.84101 | 0.03518 | 0.03443 | -2.13 |
b3lyp scharber voc (V) | 4854 | 0.17182 | 0.00933 | 0.00928 | -0.54 |
bp86 gap (eV) | 4854 | 0.00825 | 0.00056 | 0.00042 | -25.00 |
bp86 homo (eV) | 4854 | 0.00599 | 0.00045 | 0.00034 | -24.44 |
bp86 lumo (eV) | 4854 | 0.00907 | 0.00048 | 0.00037 | -22.92 |
bp86 scharber jsc (mAcm−2) | 4854 | 54.61424 | 2.62765 | 2.61410 | -0.52 |
bp86 scharber pce (%) | 4854 | 1.99136 | 0.11712 | 0.11567 | -1.24 |
bp86 scharber voc (V) | 4854 | 0.14548 | 0.00846 | 0.00824 | -2.60 |
m06 gap (eV) | 4854 | 0.01170 | 0.00068 | 0.00065 | -4.41 |
m06 homo (eV) | 4854 | 0.00681 | 0.00048 | 0.00042 | -12.50 |
m06 lumo (eV) | 4854 | 0.01035 | 0.00054 | 0.00045 | -16.67 |
m06 scharber jsc (mAcm−2) | 4854 | 0.74746 | 0.03624 | 0.03867 | 6.71 |
m06 scharber pce (%) | 4854 | 0.06892 | 0.00379 | 0.00363 | -4.22 |
m06 scharber voc (V) | 4854 | 0.18530 | 0.01045 | 0.01026 | -1.82 |
pbe0 gap (eV) | 4854 | 0.01026 | 0.00064 | 0.00058 | -9.38 |
pbe0 homo (eV) | 4854 | 0.00640 | 0.00044 | 0.00036 | -18.18 |
pbe0 lumo (eV) | 4854 | 0.00982 | 0.00052 | 0.00045 | -13.46 |
pbe0 scharber jsc (mAcm−2) | 4854 | 18.46749 | 0.88544 | 0.86032 | -2.84 |
pbe0 scharber pce (%) | 4854 | 0.82323 | 0.03391 | 0.03301 | -2.65 |
pbe0 scharber voc (V) | 4854 | 0.17392 | 0.00890 | 0.00904 | 1.57 |
