資源簡介
SPXY 一個用于化學(xué)計量學(xué)分析中樣本選擇的方法源代碼完整,可直接使用。
代碼片段和文件信息
function?[mdminmax]?=?spxy(XYN)
%?Algorithm?for?Sample?set?Partitioning?based?on?joint?X-Y?distances
%?[mdminmax]?=?spxy(XYN);
%
%?X?-->?Matrix?of?instrumental?responses
%?Y?-->?Matrix?of?parameters
%?N?-->?Number?of?samples?to?be?selected?(minimum?of?2)
%
%?m?-->?Indexes?of?the?selected?samples
%
%?dminmax(1)?=?0;
%?dminmax(2)?=?Joint?XY?distance?between?the?two?first?samples?selected?by?the?algorithm
%?dminmax(i)?=?Smallest?joint?XY?distance?between?the?i-th?selected?sample?and?the?previously?selected?ones?(i?>?2)
%
%?Reference:
%?R.?K.?H.?Galvao?M.?C.?U.?Araujo?G.?E.?Jose?M.?J.?C.?Pontes?E.?C.?Silva?T.?C.?B.?Saldanha
%?A?method?for?calibration?and?validation?subset?partitioning
%?Talanta?vol.?67?pp.?736-740?2005.
%
%?Web?site:?www.ele.ita.br/~kawakami/spa/
dminmax?=?zeros(1N);?%?Initializes?the?vector?of?minimum?distances
M?=?size(X1);?%?Number?of?rows?in?X?(samples)
samples?=?1:M;
%?Auto-scales?the?Y?matrix
for?i=1:size(Y2)?%?For?each?parameter?in?Y
????yi?=?Y(:i);
????Y(:i)?=?(yi?-?mean(yi))/std(yi);
end
D?=?zeros(MM);?%?Initializes?the?matrix?of?X?distances
Dy?=?zeros(MM);?%?Initializes?the?matrix?of?Y?distances
for?i=1:M-1
????xa?=?X(i:);
????ya?=?Y(i:);
????for?j?=?i+1:M
??????xb?=?X(j:);
??????yb?=?Y(j:);
??????D(ij)?=?norm(xa?-?xb);
??????Dy(ij)?=??norm(ya?-?yb);
????end
end
Dmax?=?max(max(D));
Dymax?=?max(max(Dy));
D?=?D/Dmax?+?Dy/Dymax;?%?Combines?the?distances?in?X?and?Y
%?D:?Upper?Triangular?Matrix
%?D(ij)?=?Euclidean?distance?between?objects?i?and?j?(j?>?i)
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