pao_ml_gaussprocess Module Reference

Gaussian Process implementation. More...

Functions/Subroutines
subroutine, public	pao_ml_gp_train (pao)
	Builds the covariance matrix. More...
subroutine, public	pao_ml_gp_predict (pao, ikind, descriptor, output, variance)
	Uses covariance matrix to make prediction. More...
subroutine, public	pao_ml_gp_gradient (pao, ikind, descriptor, outer_deriv, gradient)
	Calculate gradient of Gaussian process. More...

Detailed Description

Gaussian Process implementation.

Author

Ole Schuett

Function/Subroutine Documentation

pao_ml_gp_train()

subroutine, public pao_ml_gaussprocess::pao_ml_gp_train

(

type(pao_env_type), pointer

pao

)

Builds the covariance matrix.

Parameters

pao

...

Definition at line 32 of file pao_ml_gaussprocess.F.

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pao_ml_gp_predict()

subroutine, public pao_ml_gaussprocess::pao_ml_gp_predict	(	type(pao_env_type), pointer	pao,
		integer, intent(in)	ikind,
		real(dp), dimension(:), intent(in)	descriptor,
		real(dp), dimension(:), intent(out)	output,
		real(dp), intent(out)	variance
	)

Uses covariance matrix to make prediction.

Parameters

pao	...
ikind	...
descriptor	...
output	...
variance	...

Definition at line 80 of file pao_ml_gaussprocess.F.

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pao_ml_gp_gradient()

subroutine, public pao_ml_gaussprocess::pao_ml_gp_gradient	(	type(pao_env_type), pointer	pao,
		integer, intent(in)	ikind,
		real(dp), dimension(:), intent(in), target	descriptor,
		real(dp), dimension(:), intent(in)	outer_deriv,
		real(dp), dimension(:), intent(out)	gradient
	)

Calculate gradient of Gaussian process.

Parameters

pao	...
ikind	...
descriptor	...
outer_deriv	...
gradient	...

Definition at line 129 of file pao_ml_gaussprocess.F.

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