Class SimPLS
- java.lang.Object
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- com.actelion.research.calc.regression.linear.pls.SimPLS
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public class SimPLS extends java.lang.Object
Title: SimPLS
Description: SimPLS: Simple partial least squares algorithm according: de Jong, S. SIMPLS: An alternative approach to partial least squares regression Chemometrics and Intelligent Laboratory Systems (1993) 18 pp 251-263.
Copyright: Actelion Ltd., Inc. All Rights Reserved This software is the proprietary information of Actelion Pharmaceuticals, Ltd. Use is subject to license terms.
- Version:
- 1.0 21.11.2003 MvK: Start implementation
- Author:
- Modest von Korff
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Constructor Summary
Constructors Constructor Description SimPLS()
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Method Summary
All Methods Static Methods Instance Methods Concrete Methods Modifier and Type Method Description Matrix
getExplainedVarS()
Matrix
getExplainedVarX()
Matrix
getExplainedVarY()
Matrix
getP()
Matrix
getQ()
Matrix
getR()
Matrix
getT()
Matrix
getT(Matrix XPreprocessed)
Matrix
getU()
Matrix
getV()
static Matrix
invLinReg_Yhat(Matrix BFromCentered, Matrix Xtest)
static Matrix
invLinReg_Yhat(Matrix B, Matrix Xtrain, Matrix Xtest, Matrix Ytrain)
static void
main(java.lang.String[] args)
void
simPlsSave(Matrix Xtrain, Matrix Ytrain, int facmax)
No explained variance is calculated.void
simPlsSave(Matrix Xtrain, Matrix Ytrain, Matrix Xtest, Matrix Ytest, int facmax)
void
simPlsSaveExplainedVariance(Matrix Xtrain, Matrix Ytrain, int facmax)
The explained variance is calculated.java.lang.String
toString(int iDigits)
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Method Detail
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invLinReg_Yhat
public static Matrix invLinReg_Yhat(Matrix B, Matrix Xtrain, Matrix Xtest, Matrix Ytrain)
- Parameters:
B
-Xtrain
- uncentered matrix. Is used to center Xtest.Xtest
- uncentered matrix. Will be centered in method.Ytrain
- uncentered matrix. Is used to de-center Yhat.- Returns:
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invLinReg_Yhat
public static Matrix invLinReg_Yhat(Matrix BFromCentered, Matrix Xtest)
- Parameters:
BFromCentered
- must be calculated from centered X and Y data.Xtest
-- Returns:
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getExplainedVarS
public Matrix getExplainedVarS()
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getExplainedVarX
public Matrix getExplainedVarX()
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getExplainedVarY
public Matrix getExplainedVarY()
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getP
public Matrix getP()
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getQ
public Matrix getQ()
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getR
public Matrix getR()
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getT
public Matrix getT()
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getU
public Matrix getU()
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getV
public Matrix getV()
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simPlsSave
public void simPlsSave(Matrix Xtrain, Matrix Ytrain, int facmax)
No explained variance is calculated. B = null; EX = null; EY = null; ES = null;- Parameters:
Xtrain
-Ytrain
-facmax
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simPlsSaveExplainedVariance
public void simPlsSaveExplainedVariance(Matrix Xtrain, Matrix Ytrain, int facmax)
The explained variance is calculated. This is a time consuming process, the calculation of the correlation coefficient is takes longer than the PLS calculation itself.- Parameters:
Xtrain
-Ytrain
-facmax
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simPlsSave
public void simPlsSave(Matrix Xtrain, Matrix Ytrain, Matrix Xtest, Matrix Ytest, int facmax)
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getT
public Matrix getT(Matrix XPreprocessed)
- Parameters:
XPreprocessed
- has to be preprovcessed with XTrain. I.e. cebntered by the mean values of XTrain.- Returns:
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main
public static void main(java.lang.String[] args)
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toString
public java.lang.String toString(int iDigits)
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