hghcomphys / pantea

A Python library for developing machine learning interatomic potentials, based on Google JAX.

Home Page:https://pantea.readthedocs.io

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ACSF scaler seems to give out range values for some scaler types

hghcomphys opened this issue · comments

For example, by setting scale_min/max=(-1, 1) and scaler_type=scaler_center, scaled descriptor values are no longer zero-mean. This can make difficult for optimizer to train the model efficiently.

As an idea, batch normalization can improve the model training.