ML CSIG: Difference between revisions
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Description: Parameter used in the automatic determination of threshold {{TAG|ML_FF_CTIFOR}} for Bayesian error estimation in the machine learning force field method. | Description: Parameter used in the automatic determination of threshold {{TAG|ML_FF_CTIFOR}} for Bayesian error estimation in the machine learning force field method. | ||
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For details please read entry {{TAG|ML_FF_LCRITERIA}} first. The parameter {{TAG|ML_FF_CTIFOR}} is only updated, if the standard error of the collected Bayesian errors is below {{TAG|ML_FF_CSIG}} times the mean of the collected Bayesian | For details please read entry {{TAG|ML_FF_LCRITERIA}} first. The parameter {{TAG|ML_FF_CTIFOR}} is only updated, if the standard error of the collected Bayesian errors is below {{TAG|ML_FF_CSIG}} times the mean of the collected Bayesian errors. | ||
== Related Tags and Sections == | == Related Tags and Sections == | ||
Revision as of 07:16, 16 April 2021
ML_FF_CSIG = [real]
Default: ML_FF_CSIG =
Description: Parameter used in the automatic determination of threshold ML_FF_CTIFOR 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 standard error of the collected Bayesian errors is below ML_FF_CSIG times the mean of the collected Bayesian errors.
Related Tags and Sections
ML_FF_LMLFF, ML_FF_IERR, ML_FF_ISAMPLE, ML_FF_LCRITERIA, ML_FF_CSLOPE, ML_FF_MHIS, ML_FF_CTIFOR