Table 1 Novelty check of generated samples by GANs.
GAN-OQMD | GAN-MP | GAN-ICSD | |
---|---|---|---|
Training sample # | 251,368 | 57,530 | 25,323 |
Leave-out sample # | 27,929 | 6392 | 2813 |
Generated sample # | 2,000,000 | 2,000,000 | 2,000,000 |
Recovery % of training samples | 60.26% | 47.36% | 59.54% |
Recovery % of leave-out sample | 60.43% | 48.82% | 60.13% |
New samples | 1,831,648 | 1,969,633 | 1,983,231 |