ML CSLOPE: Difference between revisions
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Revision as of 06:35, 23 August 2021
ML_FF_CSLOPE = [real]
Default: ML_FF_CSLOPE =
Description: Parameter used in the automatic determination of threshold for Bayesian error estimation in the machine learning force field method.
For details please read entry ML_FF_LCRITERIA first. The parameter ML_FF_CTIFOR is only updated, if the absolute of the slope of the collected Bayesian errors is below ML_FF_CSLOPE times the mean of the collected Bayesian errors. In practice, the slope and the standard errors are correlated: typically the standard error is at least twice the slope. We recommend to vary only ML_FF_CSIG and keep ML_FF_CSLOPE fixed to its default value.
Related Tags and Sections
ML_FF_LMLFF, ML_FF_LCRITERIA, ML_FF_CSIG, ML_FF_MHIS