ML CSIG: Difference between revisions
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The usage of this tag in combination with the learning algorithms is described here: [[Machine learning force field calculations: Basics#Threshold for error of forces|here]]. | The usage of this tag in combination with the learning algorithms is described here: [[Machine learning force field calculations: Basics#Threshold for error of forces|here]]. | ||
The standard error of the history of maximum Bayesian errors of the forces ({{TAG|ML_HIS}}) and it's slope must be below {{TAG|ML_CSIG}} and {{TAG| | The standard error of the history of maximum Bayesian errors of the forces ({{TAG|ML_HIS}}) and it's slope must be below {{TAG|ML_CSIG}} and {{TAG|ML_CSLOPE}} so that an update of the threshold for the maximum Bayesian error of forces {{TAG|ML_CTIFOR}} can take place. | ||
== Related Tags and Sections == | == Related Tags and Sections == | ||
Revision as of 10:32, 2 November 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.
The usage of this tag in combination with the learning algorithms is described here: here.
The standard error of the history of maximum Bayesian errors of the forces (ML_HIS) and it's slope must be below ML_CSIG and ML_CSLOPE so that an update of the threshold for the maximum Bayesian error of forces ML_CTIFOR can take place.
Related Tags and Sections
ML_LMLFF, ML_ICRITERIA, ML_CSLOPE, ML_MHIS, ML_CTIFOR, ML_CX