Table 3 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 DFT-based Databases’.
Dataset | Property | Data Size | Base | MAE of SC Model | MAE of Proposed TL Model | % Error Change |
|---|---|---|---|---|---|---|
Flla | Deltae (eV) | 3936 | 14.3965 | 4.0309 | 3.8936 | -3.41 |
Deltae pa (eVatom−1) | 3936 | 0.8478 | 0.0941 | 0.0274 | -70.88 | |
Ehull (eVatom−1) | 3927 | 0.0707 | 0.0424 | 0.0238 | -43.87 | |
DC | Vol (Å3) | 1054 | 70.989 | 34.517 | 33.094 | -4.12 |
Bg (eV) | 1054 | 1.1527 | 0.4318 | 0.3657 | -15.31 | |
N | 1054 | 0.7358 | 0.2872 | 0.2770 | -3.55 | |
Poly Elec | 1054 | 4.9939 | 2.9339 | 2.2681 | -22.69 | |
PolyTotal | 1054 | 8.6057 | 5.2415 | 4.7807 | -8.79 | |
PT | Vol (Å3) | 940 | 65.282 | 29.099 | 27.352 | -6.00 |
Eij (cm−2) | 936 | 0.4610 | 0.3297 | 0.3125 | -5.22 |
