`loss.out`

¶

This files contains the terms that enter the loss function for every 100-th generation.

If a potential model is trained, each row contains the following fields:

```
gen L_t L_1 L_2 L_e_train L_f_train L_v_train L_e_test L_f_test L_v_test
```

where

`gen`

is the current generation.`L_t`

is the total loss function.`L_1`

is the loss function related to the \(\mathcal{L}_1\) regularization.`L_2`

is the loss function related to the \(\mathcal{L}_2\) regularization.`L_e_train`

is the energy RMSE (in units of eV/atom) for the training set.`L_f_train`

is the force RMSE (in units of eV/Å) for the training set.`L_v_train`

is the virial RMSE (in units of eV/atom) for the training set.`L_e_test`

is the energy RMSE (in units of eV/atom) for the test set.`L_f_test`

is the force RMSE (in units of eV/Å) for the test set.`L_v_test`

is the virial RMSE (in units of eV/atom) for the test set.

If a dipole model is trained, each row contains the following fields:

```
gen L_t L_1 L_2 L_mu_train L_mu_test
```

where

`L_mu_train`

is the dipole RMSE (per atom) for the training set.`L_mu_test`

is the dipole RMSE (per atom) for the test set.

If a polarizability model is trained, each row contains the following fields:

```
gen L_t L_1 L_2 L_alpha_train L_alpha_test
```

where

`L_alpha_train`

is the polarizability RMSE (per atom) for the training set.`L_alpha_test`

is the polarizability RMSE (per atom) for the test set.