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Difference between revisions of "ML FF SIGV0 MB"
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{{TAGDEF|ML_FF_SIGV0_MB|[real]|1.0}} | {{TAGDEF|ML_FF_SIGV0_MB|[real]|1.0}} | ||
| − | Description: This flag sets the initial noise parameter in the machine learning force field method. | + | Description: This flag sets the initial reverse noise parameter <math>\frac{1}{\sigma_{\mathrm{v}}^{2}}</math> in the machine learning force field method. |
---- | ---- | ||
| − | For the optimization of the noise parameter <math>\sigma_{\mathrm{v}}^{2}</math> see following section: | + | For the optimization of the optimization of the reverse noise parameter <math>\frac{1}{\sigma_{\mathrm{v}}^{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 13:15, 2 December 2019
ML_FF_SIGV0_MB = [real]
Default: ML_FF_SIGV0_MB = 1.0
Description: This flag sets the initial reverse noise parameter in the machine learning force field method.
For the optimization of the optimization of the reverse 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_SIGW0_MB
