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I am training a model on a SiO2 zeolite system with following setting with loss coefficients defined as
loss_coeffs:
forces: 1.
total_energy:
- 1.
- PerAtomMSELoss
After a reasonable step i am getting the following error:
f_mse f_rmse e_mse e_rmse
0.00942, 0.013, 0.0291, 0.0414 (training)
0.0122, 0.0191, 0.00997, 0.01 (validation)
Questions:
I want to improve on the error from the total_energy component. Is it possible to modify it say to 3.0-10.0 instead of 1.0 after the current time steps or epoch? If yes, how do i do this so as to avoid
conflicting parameters in config file and trainer.path file?
Are the default setting for the metrics in peratom (unit) or do i need to explicitly define the metrics as in the case full.yaml example in nequip?
The text was updated successfully, but these errors were encountered:
Dear All,
I am training a model on a SiO2 zeolite system with following setting with loss coefficients defined as
loss_coeffs:
forces: 1.
total_energy:
- 1.
- PerAtomMSELoss
After a reasonable step i am getting the following error:
f_mse f_rmse e_mse e_rmse
0.00942, 0.013, 0.0291, 0.0414 (training)
0.0122, 0.0191, 0.00997, 0.01 (validation)
Questions:
conflicting parameters in config file and trainer.path file?
The text was updated successfully, but these errors were encountered: