Model Accuracy

[npiroozan]

Hello,

I hope you are well!

I have a question regarding measurement of model accuracy. There are several rmse values for trn, force, and energy.

Which one is most important and is it possible to get values below 10^-2 for rmse_trn?

Thank you very much.

Warm regards

[njzjz]

The importance and the value of rmse_trn are decided by your parameter.

https://docs.deepmodeling.com/projects/deepmd/en/master/train/train-input.html#argument:loss[ener]/start_pref_e
https://docs.deepmodeling.com/projects/deepmd/en/master/train/train-input.html#argument:loss[ener]/limit_pref_e
https://docs.deepmodeling.com/projects/deepmd/en/master/train/train-input.html#argument:loss[ener]/start_pref_f
https://docs.deepmodeling.com/projects/deepmd/en/master/train/train-input.html#argument:loss[ener]/limit_pref_f

[wanghan-iapcm]

Other factors:

• The error in the training data defines the lower bound of the training error
• The number of training steps
• In some cases you may want to try the hybridization of se_2_a and se_3

[npiroozan]

Thank you very much!