Tags: paucablop/chemotools
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Refactor residuals (#144) * update attributes in ModelResidualBase * update hotelling t2 residuals * upadte interface in Q residuals * update all interfaces in outlier algorithms * remove depricated class * refactor _utils into _base * refactor useful residual funcitons to utils * rename functions * fix typing error * update functions in residual analysis * format with with ruff * refactor residual x calculation in dmodx * change default method in qresiduals to "jackson-mudholkar" * normalize dmodx by SPE in training and DoF * format document with ruff * Update chemotools/outliers/leverage.py Swap order in inputs for calculate residuals Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com> * Update studentized_residuals.py update intialization of the studentized_residuals --------- Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com>
Feature/add metrics (#137) * add residuals * add leverage function * format with ruff * format with ruff * add leverage and studentized residuals * add tests for residuals * test outliers parametrizing * linter with ruff * format document with ruff * factor out functions from _base to utils * rename modeltype to modeltypes * rename utils to _utils * facrtor out validate confidence from _base to _utils * factor out validate and extract model * fix implementation in dmodx outlier detection * Update Hotelling T2 * update hotelling t2 model * format documents by ruff * finish hotelling, dmodx and q residuals * add test for leverage * update interfaces and add studentized Q residuals * finish implementation of studentized residuals
Update sklearn api (#60) * update interface in air_pls * update airpls * update arpls api * fix documentation in index_selector * fix typo in index_selector * fix api in constant baseline correction * update cubic splines * update api in linear correction * update init for linear correction * fix api in non negative * fix api in polynomial and in subtract reference * fix norris williams * fix api in savitzky golay * fix minmax scaler * fix norm scaler * fix point scaler * fix emsc * update msc * update rnv * update snv * update mean filter * update median filter * update savgol filter * update whittaker
Feature selection (#59) * change module name to feature_selection * add range_cut_selector * update tests for rangecut selector * refactor range cut selector * Add index selector * test index selector * Remove old range_cut and select_features * upate depricated np.matrix by standard np.array, and adjust code accordingly * rename funcitons in feature selection to follow sklearn
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