ML CSIG: Difference between revisions

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{{TAGDEF|ML_FF_CSIG|[real]|<math>0.4</math>}}
{{TAGDEF|ML_FF_CSIG|[real]|<math>0.4</math>}}


Description: Parameter used in the automatic determination of threshold 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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{{TAG|ML_FF_CSIG}} is a threshold for variance in the stored estimated errors used to determine the criteria when {{TAG|ML_FF_LCRITERIA}}=''.TRUE.'' is set.  
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 error.


== Related Tags and Sections ==
== Related Tags and Sections ==
{{TAG|ML_FF_LMLFF}},  {{TAG|ML_FF_IERR}}, {{TAG|ML_FF_ISAMPLE}}, {{TAG|ML_FF_LCRITERIA}}, {{TAG|ML_FF_CSLOPE}}, {{TAG|ML_FF_MHIS}}
{{TAG|ML_FF_LMLFF}},  {{TAG|ML_FF_IERR}}, {{TAG|ML_FF_ISAMPLE}}, {{TAG|ML_FF_LCRITERIA}}, {{TAG|ML_FF_CSLOPE}}, {{TAG|ML_FF_MHIS}}, {{TAG|ML_FF_CTIFOR}}


{{sc|ML_FF_CSIG|Examples|Examples that use this tag}}
{{sc|ML_FF_CSIG|Examples|Examples that use this tag}}

Revision as of 07:11, 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 error.

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

Examples that use this tag