Table 2. MAPE for 1D-CNNs for each crystal system.
Null prediction refers to a MAPE prediction based on the mean lattice parameters of the data set. ML full corresponds to the prediction from the 1D-CNN models for 0–90° in 2θ. ML reduced corresponds to the prediction from the 1D-CNN models for 0–30° in 2θ.
| Symmetry | Null prediction | ML prediction full | Ratio 1 | ML prediction reduced | Ratio 2 | Training data set size |
|---|---|---|---|---|---|---|
| Cubic | 51.49 | 7.55 | 6.8 | 4.08 | 12.6 | 30 705 |
| Hexagonal | 47.37 | 7.35 | 6.4 | 8.94 | 5.3 | 17 842 |
| Trigonal | 46.58 | 15.72 | 3.0 | 15.30 | 3.0 | 25 784 |
| Tetragonal | 48.77 | 11.56 | 4.2 | 9.09 | 5.4 | 37 183 |
| Orthorhombic | 29.94 | 10.06 | 3.0 | 12.92 | 2.3 | 161 087 |
| Monoclinic | 24.76 | 11.79 | 2.1 | 11.23 | 2.2 | 445 708 |
| Triclinic | 20.06 | 3.11 | 6.5 | 2.68 | 7.5 | 243 651 |