ML NHYP - Revision history

Karsai at 13:29, 8 April 2022

2022-04-08T13:29:38Z

← Older revision		Revision as of 13:29, 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]]

2022-04-07T07:37:02Z

← Older revision		Revision as of 07:37, 7 April 2022
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			{{DISPLAYTITLE:ML_NHYP}}
	{{TAGDEF\|ML_NHYP\|[integer]\|4}}		{{TAGDEF\|ML_NHYP\|[integer]\|4}}

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	The value of {{TAG\|ML_NHYP}} must be an integer number <math>\ge</math> 1.		The value of {{TAG\|ML_NHYP}} must be an integer number <math>\ge</math> 1.

	== Related ~~Tags~~ and ~~Sections~~ ==		== Related tags and articles ==
	{{TAG\|ML_RCUT1}}, {{TAG\|ML_SION1}}, {{TAG\|ML_RCUT2}}, {{TAG\|ML_SION2}}		{{TAG\|ML_RCUT1}}, {{TAG\|ML_SION1}}, {{TAG\|ML_RCUT2}}, {{TAG\|ML_SION2}}

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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]]

2021-10-22T14:04:44Z

← Older revision		Revision as of 14:04, 22 October 2021
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	Description: This tag specifies the polynomial power <math> \zeta</math> of the kernel within the machine learning force field method (see [[Machine learning force field: Theory#Potential energy fitting\|this section]]).		Description: This tag specifies the polynomial power <math> \zeta</math> of the kernel within the machine learning force field method (see [[Machine learning force field: Theory#Potential energy fitting\|this section]]).
	----		----
	The value of {{TAG\|ML_NHYP}} must be an integer number <math>\le</math> 1.		The value of {{TAG\|ML_NHYP}} must be an integer number <math>\ge</math> 1.

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

2021-10-22T14:04:31Z

← Older revision		Revision as of 14:04, 22 October 2021
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	Description: This tag specifies the polynomial power <math> \zeta</math> of the kernel within the machine learning force field method (see [[Machine learning force field: Theory#Potential energy fitting\|this section]]).		Description: This tag specifies the polynomial power <math> \zeta</math> of the kernel within the machine learning force field method (see [[Machine learning force field: Theory#Potential energy fitting\|this section]]).
	----		----
	The value of {{TAG\|ML_NHYP}} must be an integer number > 1.		The value of {{TAG\|ML_NHYP}} must be an integer number <math>\le</math> 1.

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

2021-10-11T20:18:37Z

← Older revision		Revision as of 20:18, 11 October 2021
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	{{TAGDEF\|ML_NHYP\|[integer]\|4}}		{{TAGDEF\|ML_NHYP\|[integer]\|4}}

	Description: ~~Polynomial~~ power of the kernel.		Description: This tag specifies the polynomial power <math> \zeta</math> of the kernel within the machine learning force field method (see [[Machine learning force field: Theory#Potential energy fitting\|this section]]).
	----		----
	~~This tag specifies the power <math> \zeta</math>~~ of ~~the polynomial kernel~~		The value of {{TAG\|ML_NHYP}} must be an integer number > 1.

	~~<math>~~
	~~K \left(\mathbf~~{~~X}_~~{i}~~,\mathbf{X~~}~~_{i_\mathrm{B}}\right) = \left[ \beta \mathbf{X}_{i}^{(2)} \cdot \mathbf{X}_{i_{\mathrm{B}}}^{(2)} + (~~1~~-\beta) \mathbf{\hat{X}}_{i}^{(3)} \cdot \mathbf{\hat{X}}_{i_{\mathrm{B}}}^{(3)} \right]^{\zeta}~~.
	~~</math>~~

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

2021-08-23T09:07:40Z

← Older revision		Revision as of 09:07, 23 August 2021
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	{{TAGDEF\|~~ML_FF_NHYP1_MB~~\|[integer]\|4}}		{{TAGDEF\|ML_NHYP\|[integer]\|4}}

	Description: Polynomial power of the kernel.		Description: Polynomial power of the kernel.
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	== Related Tags and Sections ==		== Related Tags and Sections ==
	{{TAG\|~~ML_FF_RCUT1_MB~~}}, {{TAG\|~~ML_FF_SION1_MB~~}}		{{TAG\|ML_RCUT1}}, {{TAG\|ML_SION1}}, {{TAG\|ML_RCUT2}}, {{TAG\|ML_SION2}}

	{{sc\|~~ML_FF_NHYP1_MB~~\|Examples\|Examples that use this tag}}		{{sc\|ML_NHYP\|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]]

2021-08-23T06:47:35Z

Karsai moved page ML FF NHYP1 MB to ML NHYP

← Older revision	Revision as of 06:47, 23 August 2021
(No difference)

2021-06-07T07:25:10Z

← Older revision		Revision as of 07:25, 7 June 2021
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	{{TAGDEF\|ML_FF_NHYP1_MB\|[~~inter~~]\|4}}		{{TAGDEF\|ML_FF_NHYP1_MB\|[integer]\|4}}

	Description: Polynomial power of the kernel.		Description: Polynomial power of the kernel.

2021-06-07T07:24:53Z

Related Tags and Sections

← Older revision		Revision as of 07:24, 7 June 2021
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	== Related Tags and Sections ==		== Related Tags and Sections ==
	{{TAG\|ML_FF_RCUT1_MB}}, {{TAG\|ML_FF_SION1_MB}}		{{TAG\|ML_FF_RCUT1_MB}}, {{TAG\|ML_FF_SION1_MB}}

	{{sc\|ML_FF_NHYP1_MB\|Examples\|Examples that use this tag}}		{{sc\|ML_FF_NHYP1_MB\|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]]

2021-06-07T07:24:31Z

← Older revision		Revision as of 07:24, 7 June 2021
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	Description: Polynomial power of the kernel.		Description: Polynomial power of the kernel.
	----		----
	This tag specifies the power of the polynomial kernel.		This tag specifies the power <math> \zeta</math> of the polynomial kernel

			<math>
			K \left(\mathbf{X}_{i},\mathbf{X}_{i_\mathrm{B}}\right) = \left[ \beta \mathbf{X}_{i}^{(2)} \cdot \mathbf{X}_{i_{\mathrm{B}}}^{(2)} + (1-\beta) \mathbf{\hat{X}}_{i}^{(3)} \cdot \mathbf{\hat{X}}_{i_{\mathrm{B}}}^{(3)} \right]^{\zeta}.
			</math>

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