ML IREG: Difference between revisions

Revision as of 15:16, 29 February 2020

ML_FF_IREG_MB = [integer]
Default: ML_FF_IREG_MB = 2

Description: This tag specifies whether the regularization parameters are kept constant or not in the machine learning force field method.

The following cases are possible for this tag:

ML_FF_IREG_MB=1: The (initial) precision (ML_FF_SIGV0_MB) and noise (ML_FF_SIGW0_MB) parameters are kept constant.
ML_FF_IREG_MB=2: The parameters are optimized (default).

For the optimization of the noise parameter $\sigma _{\mathrm {v} }^{2}$ see following section: Machine learning force fields: Theory.

@@ Line 1: / Line 1: @@
 {{TAGDEF|ML_FF_IREG_MB|[integer]|2}}
-Description:
+Description: This tag specifies whether the regularization parameters are kept constant or not in the machine learning force field method.
 ----
+The following cases are possible for this tag:
+*{{TAG|ML_FF_IREG_MB}}=1: The (initial) precision ({{TAG|ML_FF_SIGV0_MB}}) and noise ({{TAG|ML_FF_SIGW0_MB}}) parameters are kept constant.
+*{{TAG|ML_FF_IREG_MB}}=2: The parameters are optimized (default).
+For the optimization of the noise parameter <math>\sigma_{\mathrm{v}}^{2}</math> see following section:
+{{TAG|Machine learning force fields: Theory}}.
 == Related Tags and Sections ==
+{{TAG|ML_FF_LMLFF}}, {{TAG|ML_FF_SIGV0_MB}}, {{TAG|ML_FF_SIGW0_MB}}
 {{sc|ML_FF_IREG_MB|Examples|Examples that use this tag}}
 ----
-[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]]
+[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category: Alpha]]