ML IREG - Revision history

Karsai: /* Related tags and articles */

2022-04-08T13:24:11Z

Karsai at 07:27, 7 April 2022

2022-04-07T07:27:55Z

← Older revision		Revision as of 07:27, 7 April 2022
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			{{DISPLAYTITLE:ML_IREG}}
	{{TAGDEF\|ML_IREG\|[integer]\|2}}		{{TAGDEF\|ML_IREG\|[integer]\|2}}

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	For the optimization of the noise parameter <math>\sigma_{\mathrm{v}}^{2}</math> see [[Machine learning force fields: Theory#Bayesian error estimation\|this section]].		For the optimization of the noise parameter <math>\sigma_{\mathrm{v}}^{2}</math> see [[Machine learning force fields: Theory#Bayesian error estimation\|this section]].

	== Related ~~Tags~~ and ~~Sections~~ ==		== Related tags and articles ==
	{{TAG\|ML_LMLFF}}, {{TAG\|ML_SIGV0}}, {{TAG\|ML_SIGW0}}		{{TAG\|ML_LMLFF}}, {{TAG\|ML_SIGV0}}, {{TAG\|ML_SIGW0}}

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	----		----

	[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields~~]][[Category: Alpha~~]]		[[Category:INCAR tag]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]]

Singraber at 20:57, 11 October 2021

2021-10-11T20:57:26Z

← Older revision		Revision as of 20:57, 11 October 2021
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	*{{TAG\|ML_IREG}}=2: The parameters are optimized (default).		*{{TAG\|ML_IREG}}=2: The parameters are optimized (default).

	For the optimization of the noise parameter <math>\sigma_{\mathrm{v}}^{2}</math> see ~~following section:~~		For the optimization of the noise parameter <math>\sigma_{\mathrm{v}}^{2}</math> see [[Machine learning force fields: Theory#Bayesian error estimation\|this section]].
	~~{{TAG\|~~Machine learning force fields: Theory}}.

	== Related Tags and Sections ==		== Related Tags and Sections ==

Karsai at 08:45, 23 August 2021

2021-08-23T08:45:57Z

← Older revision		Revision as of 08:45, 23 August 2021
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	{{TAGDEF\|~~ML_FF_IREG_MB~~\|[integer]\|2}}		{{TAGDEF\|ML_IREG\|[integer]\|2}}

	Description: This tag specifies whether the regularization parameters are kept constant or not in the machine learning force field method.		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:		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_IREG}}=1: The (initial) precision ({{TAG\|ML_SIGV0}}) and noise ({{TAG\|ML_SIGW0}}) parameters are kept constant.
	*{{TAG\|~~ML_FF_IREG_MB~~}}=2: The parameters are optimized (default).		*{{TAG\|ML_IREG}}=2: The parameters are optimized (default).

	For the optimization of the noise parameter <math>\sigma_{\mathrm{v}}^{2}</math> see following section:		For the optimization of the noise parameter <math>\sigma_{\mathrm{v}}^{2}</math> see following section:
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	== Related Tags and Sections ==		== Related Tags and Sections ==
	{{TAG\|~~ML_FF_LMLFF~~}}, {{TAG\|~~ML_FF_SIGV0_MB~~}}, {{TAG\|~~ML_FF_SIGW0_MB~~}}		{{TAG\|ML_LMLFF}}, {{TAG\|ML_SIGV0}}, {{TAG\|ML_SIGW0}}

	{{sc\|~~ML_FF_IREG_MB~~\|Examples\|Examples that use this tag}}		{{sc\|ML_IREG\|Examples\|Examples that use this tag}}
	----		----

	[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category: Alpha]]		[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category: Alpha]]

Karsai: Karsai moved page ML FF IREG MB to ML IREG

2021-08-23T06:39:18Z

Karsai moved page ML FF IREG MB to ML IREG

← Older revision	Revision as of 06:39, 23 August 2021
(No difference)

Karsai at 15:16, 29 February 2020

2020-02-29T15:16:47Z

← Older revision		Revision as of 15:16, 29 February 2020
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	----		----

	[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]]		[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category: Alpha]]

Karsai at 10:52, 30 January 2020

2020-01-30T10:52:35Z

← Older revision		Revision as of 10:52, 30 January 2020
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	----		----

	[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields~~]][[Category:VASP6~~]]		[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]]

Karsai at 07:48, 15 January 2020

2020-01-15T07:48:48Z

← Older revision		Revision as of 07:48, 15 January 2020
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	For the optimization of the noise parameter <math>\sigma_{\mathrm{v}}^{2}</math> see following section:		For the optimization of the noise parameter <math>\sigma_{\mathrm{v}}^{2}</math> see following section:
	{{TAG\|~~On-the-fly machine~~ learning force ~~field generation using Bayesian linear regression~~}}.		{{TAG\|Machine learning force fields: Theory}}.

	== Related Tags and Sections ==		== Related Tags and Sections ==

Karsai at 10:09, 6 June 2019

2019-06-06T10:09:29Z

← Older revision		Revision as of 10:09, 6 June 2019
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	{{TAGDEF\|ML_FF_IREG_MB\|[integer]\|2}}		{{TAGDEF\|ML_FF_IREG_MB\|[integer]\|2}}

	Description: This tag specifies whether the ~~noise~~ parameters are kept constant or not in the machine learning force field method.		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:		The following cases are possible for this tag:

Karsai at 18:11, 19 May 2019

2019-05-19T18:11:07Z

← Older revision		Revision as of 18:11, 19 May 2019
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	----		----
	The following cases are possible for this tag:		The following cases are possible for this tag:
	*{{TAG\|ML_FF_IREG_MB}}=1: The precision ({{TAG\|ML_FF_SIGV0_MB}}) and noise ({{TAG\|ML_FF_SIGW0_MB}}) parameters are kept constant.		*{{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).		*{{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\|On-the-fly machine learning force field generation using Bayesian linear regression}}.

	== Related Tags and Sections ==		== Related Tags and Sections ==

← Older revision		Revision as of 13:24, 8 April 2022
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	----		----

	[[Category:INCAR tag]][[Category:Machine ~~Learning]][[Category:Machine Learned Force Fields~~]]		[[Category:INCAR tag]][[Category:Machine-learned force fields]]