How to set the parameters when training with only energy? #1611
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JunbangLiu
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why you do that? I think it's necessary to specify the pref_f, only energy rmse to evaluate the loss is not enough ,and may due to hard to decrease the total loss. |
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I set
pref_f
to 0 and remained other parameters unchanged, but the training result is unsatisfying.rmse_e
is about 1e-6 per atom after 1 000 000 steps training with both energy and force, while it is about 1e-4 per atom training with only energy. I need help to improve the result if possible. Here's myinput.json
:In addtion, I noticed that
rmse_e
drops quickly to 1e-4 in first 200 steps and doesn't decrease anymore when training with only energy, maybe I should slow it down? But I don't know what to do.Beta Was this translation helpful? Give feedback.
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