ML CSIG: Difference between revisions

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


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_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 errors.   
For details please read entry {{TAG|ML_ICRITERIA}} first. The parameter {{TAG|ML_CTIFOR}} is only updated, if the standard error of the collected Bayesian errors is below {{TAG|ML_CSIG}} times the mean of the collected Bayesian errors.   


== Related Tags and Sections ==
== Related Tags and Sections ==
{{TAG|ML_FF_LMLFF}}, {{TAG|ML_FF_LCRITERIA}}, {{TAG|ML_FF_CSLOPE}}, {{TAG|ML_FF_MHIS}}, {{TAG|ML_FF_CTIFOR}}
{{TAG|ML_LMLFF}}, {{TAG|ML_ICRITERIA}}, {{TAG|ML_CSLOPE}}, {{TAG|ML_MHIS}}, {{TAG|ML_CTIFOR}}


{{sc|ML_FF_CSIG|Examples|Examples that use this tag}}
{{sc|ML_CSIG|Examples|Examples that use this tag}}
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[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category: Alpha]]
[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category: Alpha]]

Revision as of 08:15, 23 August 2021

ML_CSIG = [real]
Default: ML_CSIG =  

Description: Parameter used in the automatic determination of threshold ML_CTIFOR for Bayesian error estimation in the machine learning force field method.


For details please read entry ML_ICRITERIA first. The parameter ML_CTIFOR is only updated, if the standard error of the collected Bayesian errors is below ML_CSIG times the mean of the collected Bayesian errors.

Related Tags and Sections

ML_LMLFF, ML_ICRITERIA, ML_CSLOPE, ML_MHIS, ML_CTIFOR

Examples that use this tag