Table 1 Optimal E11 obtained using different methods.
Optimal target | Crystal System | ID | Best-of-∣O D F∣ method | Gradient-based method | Previous ML-based40 method | Proposed AI-driven framework |
|---|---|---|---|---|---|---|
\({E}_{11}^{min}\) | Cubic | 15716 | 50.2676 | 50.2676 | 60.5366 | 50.2697 |
Hexagonal | 1028 | 145.2473 | 145.2473 | 146.6405 | 145.2479 | |
1029 | 134.1967 | 134.1967 | 135.3297 | 134.1969 | ||
1030 | 146.3204 | 146.3204 | 147.3352 | 146.3208 | ||
14732 | 88.9550 | 88.9550 | 88.9552 | 88.9551 | ||
14815 | 134.1967 | 134.1967 | 135.3297 | 134.1970 | ||
84837 | 148.0852 | 148.0852 | 149.5147 | 148.0854 | ||
84936 | 140.5261 | 140.5261 | 141.8266 | 140.5265 | ||
\({E}_{11}^{max}\) | Cubic | 15716 | 130.4218 | 130.9160 | 127.0722 | 130.9160 |
Hexagonal | 1028 | 192.4707 | 192.4747 | 176.4714 | 192.4747 | |
1029 | 181.6082 | 181.6254 | 165.3472 | 181.6254 | ||
1030 | 199.4137 | 199.4209 | 181.0323 | 199.4209 | ||
14732 | 116.5855 | 116.5855 | 106.4076 | 116.5850 | ||
14815 | 181.6082 | 181.6254 | 165.3472 | 181.6254 | ||
84837 | 197.7685 | 197.7685 | 181.1660 | 197.7682 | ||
84936 | 187.4975 | 187.5048 | 171.4899 | 187.5048 |
