ML SIGV0: Difference between revisions

Revision as of 15:37, 3 July 2023

ML_SIGV0 = [real]
Default: ML_SIGV0 = 1.0

Description: This flag sets the noise parameter $s_{\sigma_{\mathrm{v}}}$ in the machine learning force field method.

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

@@ Line 2: / Line 2: @@
 {{TAGDEF|ML_SIGV0|[real]|1.0}}
-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 noise parameter <math>s_{\sigma_{\mathrm{v}}}</math> in the machine learning force field method.
 ----
 For details about the optimization of this regularization parameter see [[Machine learning force field: Theory#Bayesian error estimation|this section]].