Table 5. Comparison of VAE-UNet Performance before and after Inclusion of the Deep-Feature-Consistent (DFC) Model and Ionic Radius (ri) in Electrondensity Mapsa.
| system | VAE MSE (Å) | UNet nonzero recall (%) | Mean EMD (Å) | Mean Δnsites |
|---|---|---|---|---|
| VAE without DFC with σ = 1.0 | 0.012 | 55 | 0.150 | 1.0 |
| DFC-VAE with σ = 1.0 | 0.013 | 55 | 0.112 | 0.25 |
| DFC-VAE with σ = ri | 0.013 | 87 | 0.090 | 0.198 |
The performance of our full Cond-DFC-VAE-UNet model is shown in bold formatting.