Table 3 Test performance metrics
Task | Metric | XGB | cGP | HDGP NP-All | HDGP NP-Main | HDGP P-All | HDGP P-Main | EncDec |
|---|---|---|---|---|---|---|---|---|
VarvYS pred(MPa) at 298K | RMSE | \(\underline{{\bf{63.079}}\pm {\bf{43.580}}}\) | 85.254 ± 60.183 | 126.506 ± 51.467 | – | 133.2247 ± 25.0982 | – | – |
MAE | 34.404 ± 21.687 | \(\underline{{\bf{32.621}}\pm {\bf{26.955}}}\) | 89.187 ± 31.297 | – | 90.7540 ± 13.8952 | – | – | |
R2 | \(\underline{{\bf{0.852}}\pm {\bf{0.122}}}\) | 0.712 ± 0.201 | 0.405 ± 0.164 | – | 0.4084 ± 0.1114 | – | – | |
Spearman | \(\underline{{\bf{0.944}}\pm {\bf{0.029}}}\) | 0.898 ± 0.069 | 0.667 ± 0.146 | – | 0.7131 ± 0.0917 | – | – | |
SMAPE | 8.6% ± 4.0% | \(\underline{{\bf{6.8}} \% \pm {\bf{5.2}} \% }\) | 25.2% ± 6.2% | – | 27.75% ± 2.95% | – | – | |
SFE calc | RMSE | 160.015 ± 31.749 | 154.823 ± 34.594 | 144.515 ± 29.097 | – | \(\underline{{\bf{141.9662}}\pm {\bf{12.8200}}}\) | – | – |
MAE | 103.249 ± 11.891 | 101.121 ± 17.958 | 94.588 ± 11.523 | – | \(\underline{{\bf{94.5297}}\pm {\bf{11.6745}}}\) | – | – | |
R2 | 0.126 ± 0.126 | 0.186 ± 0.139 | \(\underline{{\bf{0.289}}\pm {\bf{0.100}}}\) | – | 0.1921 ± 0.1753 | – | – | |
Spearman | \(\underline{{\bf{0.686}}\pm {\bf{0.066}}}\) | 0.567 ± 0.099 | 0.677 ± 0.117 | – | 0.6124 ± 0.1351 | – | – | |
SMAPE | \(\underline{{\bf{72.3}} \% \pm {\bf{8.6}} \% }\) | 78.0% ± 10.2% | 76.3% ± 5.6% | – | 82.61% ± 15.56% | – | – | |
VEC Avg | RMSE | 13.345 ± 2.473 | \(\underline{{\bf{0.904}}\pm {\bf{0.172}}}\) | 62.739 ± 15.508 | – | 61.4221 ± 23.8710 | – | – |
MAE | 9.900 ± 1.613 | \(\underline{{\bf{0.559}}\pm {\bf{0.122}}}\) | 45.720 ± 10.894 | – | 43.5553 ± 15.8566 | – | – | |
R2 | 0.986 ± 0.005 | \(\underline{{\bf{1.000}}\pm {\bf{0.000}}}\) | 0.690 ± 0.146 | – | 0.6758 ± 0.1728 | – | – | |
Spearman | 0.992 ± 0.005 | \(\underline{{\bf{0.999}}\pm {\bf{0.000}}}\) | 0.837 ± 0.073 | – | 0.7858 ± 0.1334 | – | – | |
SMAPE | 1.5% ± 0.3% | \(\underline{{\bf{0.1}} \% \pm {\bf{0.0}} \% }\) | 6.8% ± 1.8% | – | 6.52% ± 2.55% | – | – | |
Yield Strength (MPa) | RMSE | 89.158 ± 12.990 | 79.908 ± 10.563 | 77.999 ± 7.234 | 63.951 ± 12.507 | \(\underline{{\bf{39.4717}}\pm {\bf{13.7846}}}\) | 39.8794 ± 14.8138 | 43.9739 ± 19.9147 |
MAE | 63.459 ± 9.197 | 57.057 ± 6.396 | 54.650 ± 6.106 | 46.235 ± 9.297 | 28.7471 ± 11.0498 | \(\underline{{\bf{28.5152}}\pm {\bf{12.4962}}}\) | 31.9583 ± 15.4363 | |
R2 | 0.585 ± 0.184 | 0.679 ± 0.110 | 0.685 ± 0.115 | 0.732 ± 0.050 | \(\underline{{\bf{0.8558}}\pm {\bf{0.1359}}}\) | 0.8495 ± 0.1464 | 0.8038 ± 0.2305 | |
Spearman | 0.777 ± 0.093 | 0.838 ± 0.062 | 0.874 ± 0.061 | 0.887 ± 0.024 | 0.9099 ± 0.0916 | \(\underline{{\bf{0.9138}}\pm {\bf{0.0894}}}\) | 0.8952 ± 0.1255 | |
SMAPE | 15.8% ± 2.7% | 14.3% ± 1.6% | 13.7% ± 1.9% | 11.8% ± 1.4% | \(\underline{{\bf{7.64}} \% \pm {\bf{3.04}} \% }\) | 7.64% ± 3.41% | 8.68% ± 4.12% | |
% UTS True (Mpa) | RMSE | 182.564 ± 28.431 | 149.748 ± 25.830 | 146.172 ± 26.465 | 180.835 ± 55.784 | 103.5612 ± 42.8069 | \(\underline{{\bf{98.1523}}\pm {\bf{38.1771}}}\) | 118.3553 ± 50.7326 |
MAE | 138.201 ± 22.664 | 110.308 ± 17.711 | 106.354 ± 15.304 | 130.595 ± 42.525 | 74.4103 ± 32.1561 | \(\underline{{\bf{70.2329}}\pm {\bf{28.4956}}}\) | 87.2348 ± 41.1554 | |
R2 | 0.291 ± 0.375 | 0.574 ± 0.042 | 0.595 ± 0.046 | 0.349 ± 0.442 | 0.7786 ± 0.1402 | \(\underline{{\bf{0.7996}}\pm {\bf{0.1224}}}\) | 0.6772 ± 0.3124 | |
Spearman | 0.630 ± 0.085 | 0.760 ± 0.039 | 0.806 ± 0.033 | 0.687 ± 0.204 | 0.8741 ± 0.0925 | \(\underline{{\bf{0.8761}}\pm {\bf{0.0982}}}\) | 0.8085 ± 0.1940 | |
SMAPE | 15.6% ± 2.9% | 12.4% ± 2.6% | 12.1% ± 2.3% | 14.9% ± 5.1% | 8.91% ± 4.08% | \(\underline{{\bf{8.40}} \% \pm {\bf{3.62}} \% }\) | 10.44% ± 5.02% | |
UTS/YS | RMSE | 0.503 ± 0.071 | 0.417 ± 0.052 | 0.364 ± 0.066 | 0.382 ± 0.057 | 0.3646 ± 0.1254 | \(\underline{{\bf{0.3636}}\pm {\bf{0.1405}}}\) | 0.525 ± 0.144 |
MAE | 0.383 ± 0.051 | 0.316 ± 0.043 | 0.271 ± 0.034 | 0.294 ± 0.049 | 0.2458 ± 0.0752 | \(\underline{{\bf{0.2447}}\pm {\bf{0.0881}}}\) | 0.382 ± 0.108 | |
R2 | 0.678 ± 0.088 | 0.785 ± 0.028 | \(\underline{{\bf{0.835}}\pm {\bf{0.039}}}\) | 0.817 ± 0.065 | 0.8032 ± 0.1312 | 0.7988 ± 0.1443 | 0.556 ± 0.253 | |
Spearman | 0.778 ± 0.038 | 0.851 ± 0.040 | 0.844 ± 0.055 | 0.878 ± 0.043 | 0.8856 ± 0.0748 | \(\underline{{\bf{0.8886}}\pm {\bf{0.0797}}}\) | 0.809 ± 0.093 | |
SMAPE | 15.8% ± 1.6% | 12.8% ± 1.5% | 11.6% ± 1.0% | 11.8% ± 2.1% | \(\underline{{\bf{9.93}} \% \pm {\bf{3.43}} \% }\) | 10.06% ± 4.08% | 15.301% ± 4.099% | |
Elong (%) | RMSE | 7.782 ± 1.324 | 7.363 ± 1.222 | 7.278 ± 1.449 | 7.776 ± 2.231 | 6.2017 ± 3.0606 | \(\underline{{\bf{6.1778}}\pm {\bf{3.0963}}}\) | 6.6826 ± 3.1484 |
MAE | 5.635 ± 1.061 | 5.212 ± 0.646 | 5.263 ± 0.757 | 5.757 ± 1.341 | \(\underline{{\bf{3.8575}}\pm {\bf{1.5044}}}\) | 3.9204 ± 1.6349 | 4.2596 ± 1.7478 | |
R2 | 0.338 ± 0.214 | 0.367 ± 0.290 | 0.342 ± 0.457 | 0.562 ± 0.200 | 0.6909 ± 0.2418 | \(\underline{{\bf{0.6915}}\pm {\bf{0.2434}}}\) | 0.6476 ± 0.2678 | |
Spearman | 0.740 ± 0.055 | 0.725 ± 0.117 | 0.692 ± 0.155 | 0.743 ± 0.096 | \(\underline{{\bf{0.8413}}\pm {\bf{0.1270}}}\) | 0.8389 ± 0.1378 | 0.8044 ± 0.1501 | |
SMAPE | 21.3% ± 5.7% | 20.4% ± 4.2% | 20.7% ± 5.2% | 25.2% ± 5.9% | \(\underline{{\bf{17.85}} \% \pm {\bf{4.71}} \% }\) | 18.01% ± 4.89% | 19.39% ± 6.14% | |
Hardness (GPa) SRJT | RMSE | 0.371 ± 0.096 | 0.291 ± 0.041 | 0.300 ± 0.031 | 0.331 ± 0.064 | \(\underline{{\bf{0.1677}}\pm {\bf{0.0465}}}\) | 0.1706 ± 0.0514 | 0.1851 ± 0.0554 |
MAE | 0.280 ± 0.068 | 0.216 ± 0.027 | 0.238 ± 0.026 | 0.230 ± 0.041 | \(\underline{{\bf{0.1284}}\pm {\bf{0.0367}}}\) | 0.1305 ± 0.0441 | 0.1366 ± 0.0411 | |
R2 | 0.514 ± 0.144 | 0.696 ± 0.050 | 0.665 ± 0.096 | 0.561 ± 0.166 | \(\underline{{\bf{0.8710}}\pm {\bf{0.1144}}}\) | 0.8614 ± 0.1326 | 0.8371 ± 0.1530 | |
Spearman | 0.781 ± 0.041 | 0.831 ± 0.012 | 0.794 ± 0.086 | 0.759 ± 0.078 | 0.8956 ± 0.0888 | \(\underline{{\bf{0.8988}}\pm {\bf{0.0874}}}\) | 0.8846 ± 0.0931 | |
SMAPE | 10.6% ± 2.3% | 8.3% ± 0.8% | 9.3% ± 1.2% | 8.7% ± 1.3% | \(\underline{{\bf{5.29}} \% \pm {\bf{1.48}} \% }\) | 5.35% ± 1.79% | 5.57% ± 1.65% | |
Modulus (GPa) SRJT | RMSE | 19.724 ± 3.744 | 16.760 ± 1.407 | 16.616 ± 2.231 | 18.810 ± 2.034 | \(\underline{{\bf{12.5840}}\pm {\bf{4.0755}}}\) | 12.7843 ± 4.0212 | 13.1442 ± 2.6331 |
MAE | 14.734 ± 2.604 | 13.085 ± 0.972 | 13.036 ± 1.861 | 14.438 ± 1.283 | \(\underline{{\bf{9.5227}}\pm {\bf{3.3418}}}\) | 9.5866 ± 3.4949 | 10.0754 ± 2.3725 | |
R2 | -0.031 ± 0.427 | 0.283 ± 0.096 | 0.300 ± 0.116 | 0.124 ± 0.037 | 0.5064 ± 0.5120 | 0.4960 ± 0.5135 | \(\underline{{\bf{0.5173}}\pm {\bf{0.3643}}}\) | |
Spearman | 0.588 ± 0.118 | 0.613 ± 0.060 | 0.658 ± 0.078 | 0.478 ± 0.048 | \(\underline{{\bf{0.7525}}\pm {\bf{0.2478}}}\) | 0.7505 ± 0.2624 | 0.7336 ± 0.2209 | |
SMAPE | 7.5% ± 1.3% | 6.7% ± 0.4% | 6.8% ± 0.9% | 7.4% ± 0.6% | \(\underline{{\bf{4.91}} \% \pm {\bf{1.74}} \% }\) | 4.93% ± 1.82% | 5.20% ± 1.26% | |
Avg HDYN/HQS | RMSE | 0.053 ± 0.004 | 0.047 ± 0.004 | 0.042 ± 0.008 | 0.041 ± 0.005 | 0.0262 ± 0.0122 | \(\underline{{\bf{0.0252}}\pm {\bf{0.0123}}}\) | 0.0290 ± 0.0114 |
MAE | 0.045 ± 0.002 | 0.038 ± 0.004 | 0.034 ± 0.007 | 0.033 ± 0.006 | 0.0206 ± 0.0095 | \(\underline{{\bf{0.0199}}\pm {\bf{0.0092}}}\) | 0.0232 ± 0.0089 | |
R2 | −1.375 ± 1.100 | −0.760 ± 0.353 | −0.357 ± 0.196 | 0.043 ± 0.105 | 0.3371 ± 0.6079 | \(\underline{{\bf{0.3772}}\pm {\bf{0.5885}}}\) | 0.3023 ± 0.4916 | |
Spearman | 0.267 ± 0.260 | 0.227 ± 0.309 | 0.227 ± 0.283 | 0.414 ± 0.145 | 0.4561 ± 0.5550 | \(\underline{{\bf{0.4585}}\pm {\bf{0.5749}}}\) | 0.3726 ± 0.5455 | |
SMAPE | 3.9% ± 0.2% | 3.3% ± 0.4% | 2.9% ± 0.6% | 2.9% ± 0.5% | 1.80% ± 0.82% | \(\underline{{\bf{1.74}} \% \pm {\bf{0.80}} \% }\) | 2.03% ± 0.78% | |
Depth of penetration (mm) FEM | RMSE | 0.179 ± 0.034 | 0.183 ± 0.054 | 0.154 ± 0.024 | 0.151 ± 0.039 | \(\underline{{\bf{0.1096}}\pm {\bf{0.0367}}}\) | 0.1098 ± 0.0399 | 0.1261 ± 0.0394 |
MAE | 0.126 ± 0.024 | 0.121 ± 0.026 | 0.110 ± 0.013 | 0.113 ± 0.033 | 0.0800 ± 0.0240 | \(\underline{{\bf{0.0788}}\pm {\bf{0.0280}}}\) | 0.0954 ± 0.0287 | |
R2 | 0.460 ± 0.273 | 0.526 ± 0.188 | 0.632 ± 0.167 | 0.587 ± 0.161 | \(\underline{{\bf{0.6981}}\pm {\bf{0.2381}}}\) | 0.6264 ± 0.2331 | 0.5967 ± 0.3180 | |
Spearman | 0.670 ± 0.167 | 0.678 ± 0.083 | 0.6770 ± 0.2993 | 0.742 ± 0.114 | \(\underline{{\bf{0.8649}}\pm {\bf{0.0619}}}\) | 0.8563 ± 0.1350 | 0.8358 ± 0.1374 | |
SMAPE | 4.4% ± 0.8% | 4.2% ± 1.0% | 3.8% ± 0.5% | 3.9% ± 1.1% | 2.77% ± 0.93% | \(\underline{{\bf{2.73}} \% \pm {\bf{1.03}} \% }\) | 3.28% ± 1.05% |