ML CSIG: Difference between revisions

Latest revision as of 12:30, 12 June 2024

ML_CSIG = [real]
Default: ML_CSIG = $0.4$

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.

@@ Line 1: / Line 1: @@
+{{DISPLAYTITLE:ML_CSIG}}
+{{TAGDEF|ML_CSIG|[real]|<math>0.4</math>}}
-{{TAGDEF|ML_FF_CSIG|[real]|<math>0.4</math>}}
+Description: Parameter used in the automatic determination of threshold {{TAG|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: [[Machine learning force field calculations: Basics#Threshold for error of forces|here]].
-Description: Parameter used in the automatic determination of threshold for Bayesian error estimation in the machine learning force field method.
+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.
-----
-{{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.
-== Related Tags and Sections ==
+== Related tags and articles ==
-{{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_LMLFF}}, {{TAG|ML_ICRITERIA}}, {{TAG|ML_CSLOPE}}, {{TAG|ML_MHIS}}, {{TAG|ML_CTIFOR}}, {{TAG|ML_CX}}
-{{sc|ML_FF_CSIG|Examples|Examples that use this tag}}
+{{sc|ML_CSIG|Examples|Examples that use this tag}}
 ----
-[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category: Alpha]]
+[[Category:INCAR tag]][[Category:Machine-learned force fields]]