loss function evaluated as zero.

ACEsuit / mace

MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.

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loss function evaluated as zero. #314

Closed jungsdao closed 8 months ago

jungsdao commented 8 months ago

During training, I'm observing weird cases of getting zero loss function value over epochs and model is not improving at all.

umbrella_run-123.log

I'm not sure what is causing this error. I'm using main branch and the latest version of mace. Many thanks in advance!

ilyes319 commented 8 months ago

Are you sure you put in the right keys in the input file for xyz?

jungsdao commented 8 months ago

It was my mistake of using wrong key for energy and forces. Sorry for bothering with trivial mistake! Thank you for your help :)On 2. Feb 2024, at 16:48, Ilyes Batatia @.***> wrote: Are you sure you put in the right keys in the input file for xyz?

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