ML CSLOPE: 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 10:33, 2 November 2021
ML_CSLOPE = [real]
Default: ML_CSLOPE =
Description: Parameter used in the automatic determination of threshold 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_CSIG, ML_MHIS, ML_CX