ML SIGV0: Difference between revisions
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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 | 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 [math]\displaystyle{ \frac{1}{\sigma_{\mathrm{v}}^{2}} }[/math] in the machine learning force field method.
For details about the optimization of this regularization parameter see this section.