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Description: This flag sets the initial reversed and squared noise parameter <math>\frac{1}{\sigma_{\mathrm{v}}^{2}}</math> in the machine learning force field method.
Description: This flag sets the initial reversed and squared noise parameter <math>\frac{1}{\sigma_{\mathrm{v}}^{2}}</math> in the machine learning force field method.
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For the optimization of the optimization of the reverse and squared noise parameter <math>\frac{1}{\sigma_{\mathrm{v}}^{2}}</math> see following section:
For details about the optimization of this regularization parameter see [[Machine learning force field: Theory#Bayesian error estimation|this section]].
[[Machine learning force field: Theory]].


== Related Tags and Sections ==
== Related Tags and Sections ==

Revision as of 21:02, 11 October 2021

ML_SIGV0 = [real]
Default: ML_SIGV0 = 1.0 

Description: This flag sets the initial reversed and squared noise parameter in the machine learning force field method.


For details about the optimization of this regularization parameter see this section.

Related Tags and Sections

ML_LMLFF, ML_IREG, ML_SIGW0

Examples that use this tag