lanl / hippynn

python library for atomistic machine learning
https://lanl.github.io/hippynn/
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Variable inner loops for different optimizers #37

Closed lubbersnick closed 8 months ago

lubbersnick commented 11 months ago

If we pull out the step loop from the epoch loop as a variable function, this will make the library compatible with closure-based optimizers or other optimizers (such as SAM).

To do this, we should add three versions

Which version should be controlled by the Controller. We can create an enum or use a string.