Smart ASP #81
Merged
Smart ASP #81
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Thank you, Tina - I'll try to integrate and test this on Monday at the latest. My goal is to replicate again with this implementation all your tests with the new ACE kernels? That would be extremely useful for Chuck and I. |
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merging into asp branch to continue development there. |
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This PR allows the user to choose one of the two "smart" or "basic" modes when using ASP. The "basic" mode returns the best model on the training set, and the "smart" mode returns the best model on the validation set. It currently takes in "A_val" and "y_val" as validation data but we can also add in a way for it to select random rows for training and validation or another implementation in ACEpotentials.