npred.m

多维数据处理：MATLAB源程序用于处理多维数据

function [ypred,T,ssX,Xres]=npred(X,DimX,DimY,Fac,Xfactors,Yfactors,B,show)

% $ Version 1.02 $ Date 28. July 1998 $ Not compiled $
%
% See also:
% 'npls' 'testreg'
%
% Copyright, 1998 - 
% This M-file and the code in it belongs to the holder of the
% copyrights and is made public under the following constraints:
% It must not be changed or modified and code cannot be added.
% The file must be regarded as read-only. Furthermore, the
% code can not be made part of anything but the 'N-way Toolbox'.
% In case of doubt, contact the holder of the copyrights.
%
% Rasmus Bro
% Chemometrics Group, Food Technology
% Department of Food and Dairy Science
% Royal Veterinary and Agricultutal University
% Rolighedsvej 30, DK-1958 Frederiksberg, Denmark
% Phone  [phone]
% Fax    [phone]
% E-mail [e-mail]
%
%
% Predict Y for a new set of samples using an N-PLS model
%
% [ypred,T,ssx,Xres] = npred(X,DimX,DimY,Fac,Xfactors,Yfactors,B,show);
%
% INPUT
% X        The array to be predicted
% DimX     The size of the CALIBRATION X-array
% DimY     The size of the CALIBRATION y-array
% Fac      Number of factors to use in prediction
% Xfactors Parameters of the calibration model of X (incl. scores)
% Yfactors Parameters of the calibration model of Y (incl. scores)
% B        Regression matrix of calibration model
%
% OUTPUT
% ypred    the predictions of y
% T        is the scores of the new samples
% ssX      sum-of-squares of x residuals
%          ssX(1,1)  sum-of-squares of X
%          ssX(2,1)  sum-of-squares of residuals
%          ssX(1,2)  percentage variation explained after 0 component (=0)
%          ssX(2,2)  percentage variation explained after Fac component
%
% Xres     is the residuals of X
%
%
%	Copyright
%	Rasmus Bro 1995
%	Denmark
%	E-mail [e-mail]

if nargin==0
  disp(' ')
  disp(' NPRED')
  disp('[ypred,T,ssx,Xres] = npred(X,DimX,DimY,Fac,Xfactors,Yfactors,B,show);')
  disp(' ')
  break
end

ord=length(DimX);

OrigFac=round(length(Xfactors)/sum(DimX));
if length(Xfactors)~=OrigFac*sum(DimX)
  error('DimX must describe the size of the CALIBRATION X')
elseif length(Yfactors)~=OrigFac*sum(DimY)
  error('DimY must describe the size of the CALIBRATION Y')
end

if ~exist('show')==1
  show=1;
end

maxit=20;


[I,not]=size(X);
if any(isnan(X(:)))
  miss=1-isnan(X);
  Missing=1;
else
  Missing=0;
end

Xres=X;
T=zeros(I,Fac);
W=fac2let(Xfactors(DimX(1)*OrigFac+1:length(Xfactors)),[DimX(2:length(DimX))],OrigFac,1);
Q=fac2let(Yfactors(DimX(1)*OrigFac+1:length(Yfactors)),[DimY(2:length(DimY))],OrigFac,1);

for f=1:Fac
  if Missing
    for i=1:I
      T(i,f)=Xres(i,find(miss(i,:)))*W(find(miss(i,:)),f)/(W(find(miss(i,:)),f)'*W(find(miss(i,:)),f));
    end
    Xres=Xres-T(:,f)*W(:,f)';
  else
    T(:,f)=Xres*W(:,f);
    Xres=Xres-T(:,f)*W(:,f)';
  end
end

ypred=T*B(1:Fac,1:Fac)*Q(:,1:Fac)';

ssx=sum(Xres(find(~isnan(Xres))).^2);
ssX=sum(X(find(~isnan(Xres))).^2);
ssX=[ssX 0;ssx 100*(1-ssx/ssX)];