[FEATURE] XGBoost-based classifier

PyProphet / pyprophet

PyProphet: Semi-supervised learning and scoring of OpenSWATH results.

http://www.openswath.org

BSD 3-Clause "New" or "Revised" License

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[FEATURE] XGBoost-based classifier #47

Closed grosenberger closed 5 years ago

grosenberger commented 5 years ago

This PR introduces support for an XGBoost-based classifier in PyProphet, which is useful for non-linear classification problems.

The new classifier can replace LDA at all stages. A flag enables auto-tuning of XGBoost hyperparameters (although this is time consuming and doesn't need to be enabled by default).