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Jhsmit / PyHDX

Derive ΔG for single residues from HDX-MS data
http://pyhdx.readthedocs.io
MIT License
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Change squared error reduction from 'total' to 'mean' #221

Closed Jhsmit closed 3 years ago

Jhsmit commented 3 years ago

The MSE criterion reduction was set to 'total' which should be 'mean'

This PR corrects that and introduces regularization scaling factors such that their magnitude is comparable to the MSE part of the lagrangian.

This means that regularization values to be used are now (slightly) different. Internally regularization values are scaled. Default values for hyper parameters are now defined at the top of fitting.py

Learning rates are higher (1e4), stop_loss is lower (1e-6)