BALL  1.4.1
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BALL::QSAR::KPLSModel Class Reference

#include <BALL/QSAR/kplsModel.h>

Inheritance diagram for BALL::QSAR::KPLSModel:
BALL::QSAR::KernelModel BALL::QSAR::LatentVariableModel BALL::QSAR::NonLinearModel BALL::QSAR::RegressionModel BALL::QSAR::Model

List of all members.

Public Member Functions

Constructors and Destructors
 KPLSModel (const QSARData &q, int k_type, double p1, double p2=-1)
 KPLSModel (const QSARData &q, Vector< double > &w)
 KPLSModel (const QSARData &q, String s1, String s2)
 KPLSModel (const QSARData &q, const LinearModel &lm, int column)
 ~KPLSModel ()
Accessors
void train ()
bool optimizeParameters (int k, int no_steps)
int getNoComponents ()
void setNoComponents (int d)
const Matrix< double > * getU ()
void setParameters (vector< double > &v)
vector< doublegetParameters () const

Protected Attributes

Attributes
Matrix< doubleU_
int no_components_

Detailed Description

kernel partial-least-squares class

Definition at line 44 of file kplsModel.h.


Constructor & Destructor Documentation

BALL::QSAR::KPLSModel::KPLSModel ( const QSARData q,
int  k_type,
double  p1,
double  p2 = -1 
)
BALL::QSAR::KPLSModel::KPLSModel ( const QSARData q,
Vector< double > &  w 
)
BALL::QSAR::KPLSModel::KPLSModel ( const QSARData q,
String  s1,
String  s2 
)
BALL::QSAR::KPLSModel::KPLSModel ( const QSARData q,
const LinearModel lm,
int  column 
)

Member Function Documentation

returns the number of latente variables (=PLS components)

vector<double> BALL::QSAR::KPLSModel::getParameters ( ) const [virtual]

Reimplemented from BALL::QSAR::Model.

const Matrix<double>* BALL::QSAR::KPLSModel::getU ( )

returns a pointer to the PLS Y-scores matrix U

bool BALL::QSAR::KPLSModel::optimizeParameters ( int  k,
int  no_steps 
) [virtual]

tries to find the optimal number of latente variables (=PLS components)

Reimplemented from BALL::QSAR::Model.

void BALL::QSAR::KPLSModel::setParameters ( vector< double > &  ) [virtual]

sets the model parameters according to the given values.

Reimplemented from BALL::QSAR::Model.

void BALL::QSAR::KPLSModel::train ( ) [virtual]

Starts training the model.

Implements BALL::QSAR::Model.


Member Data Documentation

Definition at line 90 of file kplsModel.h.

Matrix<double> BALL::QSAR::KPLSModel::U_ [protected]

Definition at line 88 of file kplsModel.h.

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