ML_SIGW0

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Revision as of 15:46, 3 July 2023 by Karsai (talk | contribs)

ML_SIGW0 = [real]
Default: none 

Default: ML_SIGW0 = 1E-7 for ML_MODE = REFIT
= 1.0 else

Description: This flag sets the precision parameter for the fitting in the machine learning force field method.


If the regularization needs to be controlled manually, like e.g. in the fitting via singular value decomposition (ML_IALGO_LINREG=4), the best is to control the regularization via this parameter and keep the noise paramter (see ML_SIGV0) constant at 1.

For the theory of this regularization parameter see this section.

Related tags and articles

ML_LMLFF, ML_MODE, ML_IREG, ML_SIGV0, ML_IALGO_LINREG

Examples that use this tag