Prediction performance expressed in terms of the RMSE over all the points of the binding curves, for the six classes of interactions and ρ ⊗ ρ, ρ ⊗ V and V ⊗ V models. For each class we also indicate the number of training samples, and the characteristic energy scale, expressed in terms of the standard deviation of the energies in the test set.
Class | RMSE/eV | ||||
---|---|---|---|---|---|
n train | STD/eV | ρ ⊗ ρ | ρ ⊗ V | V ⊗ V | |
CC | 100 | 1.86 | 0.72 | 0.049 | 0.058 |
CP | 200 | 0.379 | 0.25 | 0.074 | 0.092 |
CA | 150 | 0.083 | 0.056 | 0.041 | 0.034 |
PP | 100 | 0.131 | 0.10 | 0.062 | 0.125 |
PA | 350 | 0.046 | 0.032 | 0.013 | 0.021 |
AA | 950 | 0.063 | 0.026 | 0.004 | 0.006 |