MannLabs / alphadia

modular & open DIA search
https://alphadia.readthedocs.io
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Refactor convergence rules #331

Closed odespard closed 3 weeks ago

odespard commented 3 weeks ago

Updates convergence rules to keep current functionality but allow them also work with negative values (useful in principle if we want to use a feature which reaches a minimum at the desired optimum -- we can just maximize the negative) and cope if parameter values increase during optimization (which is unusual but can happen). Also splits the behaviour currently activated by favour_narrower_parameter in two: continuing until a significant decrease is enabled now by try_narrower_values in the calibration field, while choosing the narrowest parameter within a certain deviation from the maximum is enabled by favour_narrower_optimum in the calibration field.