Table 2 Ablation Performance at various levels of input information: (1) Baseline: Powder XRD + full chemical composition information; (2) No Ratios: Powder XRD + elements contained, without any information about their ratios; (3) Drop Element: Powder XRD + elements contained, with one element randomly dropped; (4) No Formula: Powder XRD information only
From: Towards end-to-end structure determination from x-ray diffraction data using deep learning
System | SSIM (μ ± σ) | PSNR (μ ± σ) |
|---|---|---|
Cubic | ||
 Baseline | 0.914 ± 0.171 | 40.9 ± 12.8 |
 No Ratios | 0.916 ± 0.161 | 40.3 ± 12.5 |
 Drop Element | 0.887 ± 0.170 | 32.5 ± 9.0 |
 No Formula | 0.868 ± 0.174 | 30.0 ± 8.6 |
Trigonal | ||
 Baseline | 0.732 ± 0.207 | 26.9 ± 7.2 |
 No Ratios | 0.718 ± 0.209 | 26.8 ± 7.2 |
 Drop Element | 0.695 ± 0.203 | 25.4 ± 6.1 |
 No Formula | 0.703 ± 0.207 | 25.5 ± 6.1 |
