ML CSIG: Difference between revisions
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{{TAGDEF|ML_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_CTIFOR}} for | Description: Parameter used in the automatic determination of threshold {{TAG|ML_CTIFOR}} for error estimation in the machine learning force field method. | ||
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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 | The standard error of the history of maximum estimated errors of the forces ({{TAG|ML_MHIS}}) and it's slope must be below {{TAG|ML_CSIG}} and {{TAG|ML_CSLOPE}} so that an update of the threshold for the maximum estimated error of forces {{TAG|ML_CTIFOR}} can take place. | ||
== Related tags and articles == | == Related tags and articles == | ||
Latest revision as of 12:30, 12 June 2024
ML_CSIG = [real]
Default: ML_CSIG =
Description: Parameter used in the automatic determination of threshold ML_CTIFOR for 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 estimated errors of the forces (ML_MHIS) and it's slope must be below ML_CSIG and ML_CSLOPE so that an update of the threshold for the maximum estimated error of forces ML_CTIFOR can take place.
Related tags and articles
ML_LMLFF, ML_ICRITERIA, ML_CSLOPE, ML_MHIS, ML_CTIFOR, ML_CX