ML LSPARSDES: Difference between revisions

Revision as of 13:26, 8 April 2022

ML_LSPARSDES = [logical]
Default: ML_LSPARSDES = .FALSE.

Description: This tag specifies whether angular descriptor sparsification is enabled within the machine learning force field method.

For details on the theory how angular descriptor are sparsified see here.

To use the sparsification of angular descriptors set the following tags:

ML_LSPARSDES=.TRUE..
The number of the highest eigenvalues $k$ to which the correlation is measured via the leverage scoring: ML_NRANK_SPARSDES.
The ratio of the selected descriptors to the total number of descriptors: ML_RDES_SPARSDES. This tag controls the extent of the sparsification.

Revision as of 07:33, 7 April 2022 (view source) Karsai (talk \| contribs) No edit summary ← Older edit		Revision as of 13:26, 8 April 2022 (view source) Karsai (talk \| contribs) No edit summary Newer edit →
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	{{sc\|ML_EPS_LOW\|Examples\|Examples that use this tag}}		{{sc\|ML_EPS_LOW\|Examples\|Examples that use this tag}}

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