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Difference between revisions of "ML FF SIGW0 MB"

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{{TAGDEF|ML_FF_SIGW0_MB|[real]|1.0}}
 
{{TAGDEF|ML_FF_SIGW0_MB|[real]|1.0}}
  
Description: This flag sets the initial precision parameter in the machine learning force field method.  
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Description: This flag sets the initial reversed and squared precision parameter <math>\frac{1}{\sigma_{\mathrm{w}}^{2}}</math> in the machine learning force field method.  
 
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For the optimization of the noise parameter <math>\sigma_{\mathrm{w}}^{2}</math> see following section:
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For the optimization of the 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 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

Examples that use this tag