ML SIGW0: Difference between revisions
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For the optimization of the noise parameter <math>\frac{1}{\sigma_{\mathrm{w}}^{2}}</math> see following section: | For the optimization of the reversed and squared noise parameter <math>\frac{1}{\sigma_{\mathrm{w}}^{2}}</math> see following section: | ||
{{TAG|On-the-fly machine learning force field generation using Bayesian linear regression}}. | {{TAG|On-the-fly machine learning force field generation using Bayesian linear regression}}. | ||
Revision as of 13:16, 2 December 2019
ML_FF_SIGW0_MB = [real]
Default: ML_FF_SIGW0_MB = 1.0
Description: This flag sets the initial reversed and squared precision parameter in the machine learning force field method.
For the optimization of the reversed and squared noise parameter see following section: On-the-fly machine learning force field generation using Bayesian linear regression.
Related Tags and Sections
ML_FF_LMLFF, ML_FF_IREG_MB, ML_FF_SIGV0_MB