Chng 5:

HI QUI A BIN

Phng php hi qui a bin l k thut a bin c dng rng ri trong phng thi nghim ho hc gip gii quyt cc bi ton xc nh ng thi nhiu cu t cng c mt trong hn hp m khng cn tch loi trc khi xc nh. V nguyn tc ch cn xy dng dy dung dch chun c mt tt c cc cu t cn xc nh vi nng bit trc trong hn hp (cc bin c lp x), o tn hiu phn tch ca cc dung dch ny di dng mt hay nhiu bin ph thuc y) v thit lp m hnh ton hc m t quan h gia hm y (tn hiu o) v cc bin c lp x (nng cc cht trong hn hp). Da trn m hnh ny c th tm c nng ca cc cu t trong cng dung dch nh phn khi c tn hiu phn tch ca dung dch . Nu cc cu t c mt trong hn hp cho tn hiu o c tnh cht cng tnh th c th s dng phng php hi qui a bin tuyn tnh thng thng (multiple linear regression- MLR) nh phng php bnh phng ti thiu hoc a dng hn nh bnh phng ti thiu tng phn, phng php hi qui cu t chnh . Nhng nu trong hn hp, cc cu t c s tng tc ln nhau lm mt tnh cht cng tnh tn hiu o th phi s dng m hnh hi qui a bin phi tuyn tnh (ph bin l cc phng php kt hp vi mng nron nhn to). Cc thut ton v hi qui tuyn tnh a s c gii quyt bng phn mm MATLAB, mt s thut ton n gin hn c th s dng MINITAB hoc SPSS hay STATGRAPHICS, Unscrambler...

5.1. Hi qui a bin tuyn tnh

Gi s hn hp cn phn tch c k cu t (X 1, X2Xk), tn hiu phn tch ca hn hp l y th phng trnh hi qui a bin m t quan h gia y v cc bin X i (i=1,2, k) c dng : y= a+ b1X1 + b2X2 ++ bkXk V mt l thuyt tm nng ca k cu t cn c t nht k phng trnh hi qui. V vy thc t s cn tin hnh m th nghim (m k) vi m dung dch chun hn hp th s lp c m phng trnh hi qui a bin. Dng tng qut ca h phng trnh ny nh sau : y= a+Xb Trong b l vecto cha cc h s ca phng trnh hi qui. y l vecto ct cha m gi tr y1ym cn X l ma trn c m hng (ng vi m quan st) v k ct (ng vi k bin)

 y1 y 2 y y= 3 . . ym

x1 1 x X = 21 ... xm1

x1 2 x2 2 ... xm 2

... ... .. ...

x1k x2k ... xm k

Nu tn hiu o ng vi mi th nghim c nhiu hn mt gi tr (v d o hp th quang mt dung dch chun hn hp ti p bc sng thay v mt bc sng) th s liu ca Y s l ma trn c m dng v p ct ( ymxp) nh sau:

y1 1 x1 2 x x 21 22 y= ... ... xm1 xm 2

... ... .. ...

x1 p x2 p ... xm p

Cc phng trnh hi qui tuyn tnh thu c s cho bit: - Nhng bin (cu t) no c nh hng ln (nu gi tr tuyt i ca h s hi qui ln) n kt qu th nghim (tn hiu o). - Bit c chiu hng cc nh hng (h s hi qui mang du dng s c nh hng cng chiu n kt qu th nghim v ngc li). - Tm c nng cc cu t trong dung dch cn nh phn khi c tn hiu phn tch y. 5.1.1. Phng php bnh phng ti thiu thng thng (classical least squareCLS)(Phng php ny cn gi l ma trn K (K-matrix)) - T dng tng qut y= XK +e (1) vi y l vecto (mx1) ; X l ma trn (mxk), v e l vecto s d (mx1). K l vecto h s ca phng trnh hi qui dng hng (kx1) nu y l vc t ct biu din tn hiu o ca mt dung dch chun; K l ma trn (kxp) nu y l s liu dng ma trn (mxp) biu din tn hiu ca dung dch chun c o ti nhiu thi im (v d o hp th quang ti p bc sng). - Nu c gi tr nhp vo l bin c lp X v bin ph thuc y s tnh c gi tr h s b. Theo phng php bnh phng ti thiu, ma trn h s K s c tnh nh sau:

K= (XTX)-1 XTy

(2)

vi XT l ma trn chuyn v ca X (transpose to matrix). -Vi mu cha bit cn tm gi tr X0 t gi tr y0 ta s c:

X0 = y0 KT (KKT)-1

(3)
2

Phng trnh (1) cho thy c th xem CLS nh l phn tch nhn t v ma trn tn hiu y l tch cu hai ma trn nh X v K. Trong phng php trc quang, phng php CLS ghi tn hiu phn tch dng ma trn c xem l phng php nh lng ph ton phn, do vy t c chnh xc cao so vi cc phng php ch s dng mt s bc sng v cho php tnh ton ng vi tt c cc ph trong hn hp. Nhc im ca CLS l cn phi bit tt c cc ph ca nhng cht gy nh hng n vng ph c o v chng u ng gp vo ng chun. iu ny c th c loi tr ng k bng cch phn tch di ph ti mt thi im sau khi gp kt qu vo php phn tch thng k. N cho php loi b di ph khng tun theo nh lut Lambe-Bia hoc nhng ph c cha tn hiu ca ion cn. V vy cn thit phi xc nh xem trong hn hp c nhng cht no ng gp vo tn hiu ph. Ch : Nhng cu t trong hn hp mun gii c theo phng php ny phi c tnh cht cng tnh. Thut ton CLS trong phn mm Mat lab: Nhp ma trn s liu nng cc cht trong cng hn hp khi xy dng ng chun X (mxk). Nhp tn hiu phn tch di dng vecto ct hoc ma trn. Vit cu lnh tnh h s K ca phng trnh hi qui vi K= inv(X*X)*X*y Nhp tn hiu phn tch y0 ca mu cn nh phn. Tnh X0=y0*K *inv(K*K)

Th d 4.1: Hn hp cn phn tch c 4 cu t, nng tng ng nh sau, tin hnh o 6 dung dch chun ti mt bc sng, tn hiu phn tch l vecto 1 ct, 6 dng >>X=[1 2 3 4; 4 5 6 7; 5 4 3 6; 5 6 7 8 ; 3 5 6 7 ; 8 5 9 5] X= 1 4 5 5 3 8 y= 4 6 2 5 4 6 5 5 3 6 3 7 6 9 4 7 6 8 7 5

>>y=[4;6;7;8;3;7]

7 8 3 7 >>K=inv(X'*X)*X'*y K= 1.2120 -2.3145 0.0351 1.7570 Nu s dng thut ton CLS B=regress(y,X) Hoc [b,bint, r,rint, stats]= regress(y,X) Trong trng hp ny y phi l vecto Nu kt qu trong mu phn tch l mt gi tr bng s th Matlab s khng tnh c gi tr ca nng trong mu. V vy CLS thng ch thch hp cho nhng php phn tch ti nhiu bc sng

Th d 4.2: Nu Y l ma trn c 6 dng v 6 ct (vi 6 dung dch chun o ti 6 bc sng) th kt qa tnh h s K s l ma trn (6x4) v lp c 6 phng tnh hi qui: Y= [1 2 3 4 5 9; 3 4 5 6 7 7; 5 6 7 8 9 2; 2 3 4 5 6 8 ;9 8 7 6 5 5 ; 1 3 5 7 8 9] Y= 1 3 5 2 9 1 K= -0.5104 2.2617 -0.0912 0.0694 0.6492 1.2290 0.1062 2.1712 1.6905 0.2329 2.9466 0.2976 2.8174 3.6635 0.5191 -1.2236 -2.9663 -4.4791 -7.3646 0.6629 1.4171 2 4 6 3 8 3 3 5 7 4 7 5 4 6 8 5 6 7 5 7 9 6 5 8 9 7 2 8 5 9

-0.7060 -0.4353 -0.1645

(4 hng trong ma trn K ch 4 gi tr h s ca 4 bin l 4 cu t cn phn tch trong hn hp). Gi s mt mu phn tch c tn hiu o ti 6 bc sng nh sau y0 = 2 4 6 8 9 3 Th nng ca 4 cu t trong mu s l : >> X0=y0*K'*inv(K*K') X0 = 10.8832 6.4111 9.0823 5.8384

Ngoi ra, c th s dng phn mm Minitab xy dng hm hi qui t ma trn nng ca cc dung dh chun v vect tn hiu phn tch (th d 4.1) : Vo: Stat-> Regresion-> regresssion The regression equation is y = - 20,3 + 3,62 x1 - 17,1 x2 + 2,96 x3 + 11,5 x4 Predictor Constant x1 x2 x3 x4 Coef -20,308 3,6154 -17,135 2,962 11,481 SE Coef 7,456 0,9231 5,567 1,117 3,617 T -2,72 3,92 -3,08 2,65 3,17 P 0,224 0,159 0,200 0,230 0,194

S = 0,784465

R-Sq = 96,7%

R-Sq(adj) = 83,7%

Analysis of Variance Source Regression Residual Error Total DF 4 1 5 SS 18,2179 0,6154 18,8333 MS 4,5545 0,6154 F 7,40 P 0,268

5.1.2. Phng php bnh phng ti thiu nghch o (inverse least square- ILS) (Phng php ma trn P ( P- matrix)) Phng php ny gi thit rng nng cht phn tch l hm ca tn hiu phn tch theo phng trnh: X=y.P+e

Trong phng php ny, h s P trong phng trnh hi qui l thnh phn ca ma trn (mxk) c tnh theo phng php bnh phng ti thiu suy rng (generalized): P= (yTy)-1 yTX Vic phn tch nng cht cha bit (X0) c thc hin bng cch nhn trc tip ga tr tn hiu o y0 ca dung dch cn phn tch vi P. X0= y0.P Nhc im ca phng php ILS: tn hiu mu phn tch phi c ghi s t nht thi im chnh xc nht (v d trong trc quang phi chn c s t nht cc bc sng phn nh y tn hiu ca tt c cc cht trong hn hp). V ma trn h s P tnh theo phng trnh trn l ma trn nghch o, do kch thc ca ma trn ny phi bng s bc sng s dng v phi nh hn s dung dch chun em dng. Mt vn khc l tnh cng tnh ca tn hiu o v ng chun khi c nhiu bc sng c s dng s xy ra lm cho chnh xc gim. Th d: Vi tp s liu X v y trn dng cu lnh ca matlab s tm c cc gi tr b theo vecto hng b nh sau: X=[1 2 3 4; 4 5 6 7; 5 4 3 6; 5 6 7 8 ; 3 5 6 7 ; 8 5 9 5] X= 1 4 5 5 3 8 y= 4 6 7 8 3 7 b = 0.7534 0.7354 0.9238 Cho y0= 8
6

2 5 4 6 5 5

3 6 3 7 6 9

4 7 6 8 7 5

>>y=[4;6;7;8;3;7]

0.9854

s tnh c X0 = 6.0269 5.8834 7.3901 7.8924 Nu c nhiu mu cn phn tch, cc gi tr y0 s c nhp vo di dang vc t ct v kt qu nh sau: >> y0=[3;5;7;8] y0 = 3 5 7 8 >> X0=y0*b X0 = 2.2601 3.7668 5.2735 6.0269 2.2063 3.6771 5.1480 5.8834 2.7713 4.6188 6.4664 7.3901 2.9596 4.9327 6.9058 7.8924

5.1.3. Phng php bnh phng ti thiu thng thng (ordinary least squareOLS) Gi s c tp s liu (y,X) trong y l cc ga tr hm mc tiu (bin ph thuc) v X l gi tr cc bin c lp. Bi ton t ra l cn tm phng trnh hi qui k chiu ph hp sao cho tng bnh phng sai s QB gia gi tr thc nghim yi v ga tr y i tnh theo phng trnh hi qui y= X l nh nht. Q( ) =(1/T) e( ) e( ) = (1/T) (y-X ) (y-X )

i vi h phng trnh hi qui a bin tuyn tnh cc h s l vec to hoc ma trn c k hiu di dng

Sai s gia gi tr tnh c v gi tr thc nghim c gi li phn d ei (residue)

V tng bnh phng ca n ca m hnh

cng c dng nh ga tnh thch ng

Khi c gia tr y bit trc c th tnh c gi tr X 5.1.4. Cc phng php a bin s dng tp s liu o hm

5.2. Phng php hi qui cu t chnh (principal component regression -PCR) y l phng php m rng v phng trnh hi qui s dng phn tch a bin p dng cho tp s liu c rt nhiu bin. PCR gm 2 qu trnh: - Phn tch cu t chnh chuyn sang tp d liu mi, cha mt s t cc yu t quan trng, cn thit. Sau s dng phng php bnh phng ti thiu nghch o (ILS) phn tch tp d liu mi ny. Trc tin, chiu tp s liu ln khng gian c t chiu hn theo PCA m khng lm mt i cc thng tin quan trng v tin hnh phn tch hi qui a bin trn khng gian mi ny. N gi thit rng mi thnh phn trong tp s liu c th c gn mt gi tr nh lng u tin cn to m hnh PCA cho tp s liu v s dng ga tr ring ca cc bin o (score) xy dng phng trnh hi qui a bin tuyn tnh trong gi tr y l gi tr hm mc tiu. u im ca PCA so vi PLS:

- Gi tr nhiu nn c chuyn vo trong sai s d v loi ra khi m hnh hi qui v trong phng php ny cc vector ring c tr ring thp ch chim phn phng sai thp - T hn hp c rt nhiu cu t, bng phng php PCA c th gim s chiu trong tp hp v do vy ch lm vic vi s t bin. Cng cn lu rng, do phng php ny pht trin trn c s ca phng php ILS nn s dng c cc phng php ny trong phn tch trc quang chng ta cn s mu chun ti thiu phi bng s thi im s dng trong ng chun m ha, tc l s mu chun khng nh hn s PC la chn. Ly mt v d c th, khi o ph ca 15 dung dch chun ti 100 bc sng, s dng phng php ILS, chng ta cn phi gim kch thc ph xung s bc sng khng qu 15. Cch n gin nht l chn t hn 15 bc sng o hp th nhng sai s s ln nu khng chn c cc bc sng c trng cho ph cc cht. Vi m hnh PCR ta c th s dng ton ph tnh cc PC, sau chn s PC nh hn 15 tnh ton tip. Thng thng, vi mt tp s liu c mc tp trung tt th ch c mt s t cc PC u tin l c ngha (c tng phng sai tch ly ln coi rng chng cha ton b thng tin hu ch c trng ca tp s liu). Nh vy, s dng m hnh PCR c th gim c kch thc tp s liu m khng lm mt thng tin ng thi c th loi c tn hiu nhiu ca d liu gc. Hn ch ca PCR: Vic gim kch thc ca tp s liu i khi c th loi b nhm tn hiu v gi li sai s trong cc PC. Cch tin hnh: Bc 1: Nhp s liu v x l ban u tp s liu Gi thit c m dung dch hn hp phn tch cha n cu t. Nng ca n cu t trong hn hp c biu din di dng ma trn C(mxn). Tn hiu phn tch l hp th quang A o ti p bc sng v c vit di dng ma trn A(mxp). Vi mt tp s liu chun ha hoc cha chun ha, trc khi s dng u cn bc bnh phng ton tp d liu - y l yu cu bt buc i vi hu ht cc hm tnh vect ring. D = AT . A Trong A l ma trn s liu biu din hp th quang theo cc thi im o ca cc dung dch chun v AT l ma trn chuyn v ca ma trn A. Bc 2:Xc nh cc vect ring hay cc PC: Dng phng php PCA cho hai tp s liu A v C tm cc bin o PC c tr s P (score- gi tr eigenvector) v trng s Q (loading). Nhng PC no c eigenvector>1 mi thc s c ngha. Bng cch ny s gim c s bin tng quan t n bin xung thnh k bin khng tng quan (k<=n); k bin ny cn gi l s bin chun ho (hay bin m ho).
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C th tnh ton cc vect ring ca tp s liu bng nhiu hm ton hc khc nhau. C 3 hm chnh, thng s dng l hm NIPALS (hm phi tuyn lp s dng k thut bnh phng ti thiu ring phn), hm SVD (hm phn tch cc gi tr ring) v hm Princomp (hm tnh cc cu t chnh). Cn lu rng, tt c cc hm ny u tnh ton v a ra tt c cc cu t nhng thng khng s dng tt c m ch s dng k cu t u xc nh khng gian mi : NIPALS l hm lp thng s dng cho cc tp s liu kch thc ln hoc c a cng tnh cao. Vi tp s liu c kch thc nh, qu trnh tnh lp trong hm NIPALS s lm khuch i sai s ca tp s liu nn thng thng ngi ta khng s dng hm ny tnh cc PC. SVD l hm tnh PC s dng phng php tch tp s liu ban u thnh cc nhn t. Cc vect ring v tr ring ca ma trn d liu u l nhng tp con ring ca cc nhn t trong SVD. Hm SVD s dng hnh thc cho ha cho php khng ch thang o mt cch hp l nn gim thiu c sai s do lm trn. V vy hm ny s dng c vi cc kiu tp s liu rng ri hn hm NIPALS. Princomp l hm tnh ton trc tip cc cu t chnh (PC) c vai tr tng ng cc vect ring. Tuy nhin, so vi hm SVD th vic s dng hm Princomp vi tp s liu ln c u im l phng sai tp trung khng cao nn v tr cc PC s chnh lch khng qu ln, do sai s trong qu trnh lm trn s v chuyn ha tp s liu s nh hn. Cc hm ton hc trn u a ra mt ma trn ct cha cc vect ring - Vc l ma trn trong mi ct l mt vect hay nhn t mi - PC - ca ma trn d liu v s hng ma trn l s thi im o. Mi nhn t hay vect ny li l t hp bc nht ca cc im ph ban u, phn ng gp ca cc im ny vo mi vect l khc nhau ty thuc vo gi tr hm ph thuc ti im . Nhng im c gi tr ng gp ln vo cc PC cha phng sai ln s l nhng im o c nh hng quyt nh ti kt qu tnh ma trn h s hi qui v kt qu hi qui sau . Ma trn kt qu th hai cng rt quan trng l ma trn phng sai ca cc PC: l dng ma trn cho i vi hm SVD, l mt vect ct i vi hm NIPALS v hm Princomp. Cng thc tnh gi tr chun ho nh sau:

A' =

( A A) SA

Trong A l gi tr ca hm A chun ho; A l ga tr trung bnh ca A, SA l lch chun.

10

Tng t ta c C i ' =

(C i C i ) vi i=1n S Ci

Cc ga tr trong ma trn vung loading chnh l cc h s nh hng (coeff). T cc h s ny s tm c phng trnh hi qui c dng: PC1= PC2= * La chn cc vect c ngha y l bc c nh hng c bit quan trng n bc x l tip theo. Nu gi li nhiu vect hn s cn dng th nhng vect s cha c tn hiu nhiu v nh vy, kt qu hi qui s mc phi sai s. Nu gi li khng s vecto cn thit s lm mt i thng tin c ch t tp d liu, iu ny cng s gy nn sai lch gia m hnh hi qui thu c v m hnh thc. V vy, vic nh gi v la chn cc vect c ngha l rt quan trng. Di y l mt s phng php ph bin xc nh s PC c ngha : Dng cc hm ch th: C rt nhiu hm ch th khc nhau nh CPV (tnh phn trm phng sai tch ly), hm IEF, ... Tnh ton PRESS (tng bnh phng sai s d on) nh gi thng tin t d liu. Phng php nh gi cho Phng php nh gi Xu Kailath nh gi theo tiu chun Akaike Tnh phng sai ca sai s ti lp VRE

Cc phng php ny u c nhng u im ring khi s dng v kt qu nh gi tng i thng nht vi nhau. Phng php c s dng rng ri la chn cc PC c ngha khi cc PC ny c tnh bng hm SVD hay Princomp l phng php tnh v nh gi qua phn trm phng sai tch ly ca cc PC . Cch tnh ny n gin hn v cc hm tnh PC trn cho sn d liu c th nh gi nhanh. * Tnh ton li Sau khi loi b cc vect ring khng c ngha, chng ta cng loi c tn hiu nhiu ca d liu gc v cn tnh li d liu sau khi loi b sai s. Nh vy, khi tnh ton h ta mi ta loi b c tn hiu nhiu trong tp d liu ban u.

Bc 3: Xy dng ng chun

11

Sau khi tm c cc gi tr coefs C v coefsA s xy dng c h gm n phng trnh hi qui cu t chnh chuyn ho vi cc PC.
Ai ' = Bi 'C i

vi j=1n<=p ; i=1k<=p

Ai ' l ga tr c on ca phng trnh hi qui cu t chnh chuyn ho th i

Bi l h s hi qui ring phn Phng trnh hi qui tuyn tnh c dng: C= a+bA Vi Q=DTTA0 TT l ma trn chuyn v ca ma trn score T ca ma trn A D l ma trn cho ca nhng cu t trong hn hp v A 0 l ma trn nghch o ca eigenvector chn Trong phng trnh trn khi bit b c th d dng tm a theo phng trnh: a=Cmean-ATmean b Trong ATmean i din cho ma trn chuyn v c u vo l trung bnh hp th quang v Cmean l nng trung bnh ca cc gi tr nng trong ng chun Khi xy dng ng chun PCR theo phng php ILS, im khc bit duy nht l tp s liu s dng. Cc bc tin hnh bao gm: - Xc nh php chiu trong h ta mi: Aj = A . Vc Trong : Aj: ma trn s liu h ta mi A: ma trn gc Vc: ma trn cc vect ring c ngha - Thay th A bng Aj trong phng trnh hi quy C = Aj . F , trong F c tnh theo cng thc: F = (AjT . Aj)-1 . AjT . C Nng cht phn tch trong mu cha bit c tnh theo cng thc: C x = Ax . V c . F = Ax . Fcal vi Fcal = Vc . F ng vai tr tng t ma trn P trong phng trnh ca ILS vi b =PxQ Trong tr s P l ma trn eigenvector ; q l trng s ca nng C

12

Th d: ( ngun thng tin: Safavi and Abdollahi. Microchemical Journal 63, 211-217 (1999) Xc nh ng thi Fe(II) v Fe(III) trong cng hn hp bng hn hp hai thuc th 1,10-phenantrolin v axit salysilic pH=4. ng chun c xy dng t nhng dung dch ch ng thi Fe(II) v Fe(III) nhng t l nng khc nhau sao cho hp th qung ca dung dch khng ln hn 1,5 v nng cc cu t trong phm vi khong tuyn tnh Trong hai thuc th chn th 1,10- octophenaltroiln ch to phc vi Fe(II) cn axit salysilic to phc vi c Fe(II) v Fe(III). Hn hp hai thuc th ny khi to phc vi ring Fe(II) v Fe(III) c s xen ph ph nhng c s khc nhau v cc i ph nn c th xc nh ng thi c Fe(II) v Fe(III) trong hn hp. Thc hin qut ph cc dung dch Fe(II), Fe(III) ring r v hn hp Fe(II) v Fe(III)khi thay i nng mt cht cn c nh nng cht kia trong khong bc sng 400-600 nm th nhn thy khi nng cu t cn xc nh tn s c s tng hp thu quang ti mt bc sng hu nh khng c s tng tc gia cc phc trong dung dch. Do vy c th s dng phng php PCA xc nh ng thi hai cu t trong dung dch theo phng php PCA kt hp vi hi qui. Trong phng php PCR, thut ton tha nhn cho (cross- validation) loi b tng yu t mt (leave one out) c s dng xc nh s cu t chnh. S yu t ti u trong hn hp c xc nh sao cho gi tr tng bnh phng s d d on (prediction residual sum of squares- PRESS) theo s cu t chnh c dng chn. Trong qu trnh tnh ton, mt dy cc dung dch chun c s dng tm phng tnh hi qui cu t chnh v mt dy cc dung dch chun khc c s dng nh gi phng trnh hi qui tm c thng qua ga tr sai s chun tng i (relative standard error- RSE)

RSE(%) = 100

( C j C j ) 2
j =1

(C
j =1

)2

y N l s mu, Cj l nng ca cu t trong hn hp th j, C j l nng tnh c t phng trnh hi qui.

Tng sai s c on ca N mu s l:
M N

RSE t = 100

(C
i =1 j =1 M N i =1 j =1

ij

C ij ) 2
ij

(C

)2

y Cij l nng ca cu t i trong mu th j v C ij l nng tnh c t

phng trnh hi qui. Th d x l s liu trong phng php PCR bng phn mm MAtTLAB
13

C=[ 1 2 3; 5 7 9; 4 6 2; 5 3 7;8 9 5; 10 5 6] C= 1 5 4 5 8 10 2 7 6 3 9 5 3 9 2 7 5 6

>> A=[ 1 2 3 4 5 ; 6 7 8 9 10; 8 9 7 6 5 ; 5 4 3 2 1; 3 4 6 8 7; 1 3 5 7 6] A= 1 6 8 5 3 1 2 7 9 4 4 3 3 8 7 3 6 5 4 9 6 2 8 7 5 10 5 1 7 6

>> [coefsA, scorsA, variancesA]=princomp(A) coefsA = 0.3689 0.4519 0.6339 0.2528 0.6184 -0.1258 0.0367 0.8517

0.4453 -0.1034 -0.7306 -0.2303 0.2746 -0.4525

0.4414 -0.0121 -0.2797 0.4655 -0.3932 -0.5903 0.4982 -0.4952

0.7061 -0.0843 -0.0296

14

scorsA = -4.6801 -2.0187 6.4492 -1.1249 3.7619 -5.2246 4.1745 0.8973 -0.3639 -0.0325 0.8244 0.0578 0.2103 0.4365 0.0346 0.0272 0.0533

4.7009 -0.3568 -0.4531 -0.0236 0.4517 -0.0590

1.1441 -2.4596 -0.5923

-1.4506 -3.2722 -0.8305 -0.2815

variancesA = 21.6715 12.3242 0.5312 0.1712 0.0020 >> [coefsC, scorsC, variancesC]=princomp(C) coefsC = 0.7700 -0.1327 0.3865 scorsC = -6.0590 1.8783 -0.9251 0.1056 0.2878 0.6241

0.5076 -0.4652 -0.7252 0.8752 -0.2909

2.5001 -2.5873 2.6105 0.8953

-2.1051 -3.0285 -0.4500 3.6574 -2.3292 -1.0020

15

3.5536

0.1415

2.8561

Trong phng trnh trn s c: s PC=s cu t PC1= 0.7700X1 + 0.5076X2 + 0.3865X3 PC2= -0,1327X1-0.4652X2 +-.8752X3 PC3= 0.6241X1-0.7252X2-0.2909X3

variancesC = 14.3063 5.5386 3.3885

5.2. Phng php bnh phng ti thiu tng phn (partial least square-PLS ). PLS l phng php a bin dng m hnh ho mi quan h gia bin c lp X v bin ph thuc Y. PLS m hnh ho c 2 bin X v Y ng thi tm ra bin n (latent variables- LVs) trong X m t s on c bin n trong Y. PLS1 dng ch nhng trng hp c 1 tn hiu phn tch mt thi im v c nhp di dng vc t ct, trong khi PLS2 c th cho ta mt s kt qu Y ng thi. Ni cch khc s liu ca liu Y trong phng php PLS2 c m t di dng ma trn. Trong m hnh PLS, s liu c chia thnh 2 nhm bin: bin X (descriptor: bin m t hay bin c lp, thng l nng cht phn tch) v bin Y (respone: kt qu hay tn hiu phn tch). Mc ch ca PLS l m hnh ho X sao cho c th on c thng tin trong Y. PLS s ti u ho gi tr ng phng sai (covariance) gia ma trn X v Y. Hai ma trn X v Y c phn tch thnh hai ma trn tr s (score matrices) T, U v ma trn trng s (loading matrices) P v Q. Tri ngc vi PCA, c hai dng khc nhau ca gi tr trng s trong PLS, tng ng vi PCA loading l PLS weights (trng s PLS) (W). Loading weight (W) c dng l trc giao ti u ho ng phng sai gia hai bin X v Y. S ti u cc bin n c th c c on bng dng thut ton nh gi cho (cross-validation) hoc tp s liu kim tra ring bit. Ni cch khc phng php PLS khc vi cc phng php hi qui khc ch n thch hp cho nhng tp s liu c s th nghim t hn s bin v s tng quan gia cc bin c lp v c tnh cht cng tnh cao. Mc ch ca PLS cng l gim s bin v to ra cc cu t khng lin quan sau biu din phng trnh bnh phng ti thiu vi nhng cu t ny.
16

 ngha ca PLS trong Ha phn tch: Gi s cn phn tch hm lng ca k cht c trong m mu phn tch bng phng php quang ph hp th phn t, o hp th quang ca dung dch phc mu p bc sng. Nh vy s liu s c biu th di dng hai ma trn : ma trn X(m x k) c m hng v k ct c xem l ma trn cha thng tin v cc bin di dng cc mc nng ca cc cht phn tch v ma trn Y( m xp) c m hng v p ct l ma trn cha thng tin v hm mc tiu nh cc gi tr hp th quang o c ti nhiu bc sng. Mi ma trn ny s c chuyn thnh hai ma trn nh l score (ma trn tr s) v loading (ma trn trng s). Trng s ca ma trn X c tnh t tr s ca ma trn Y v ngc li. Mi ma trn tr s (score) c phn tch thnh tng ca a cu t chnh vi a<=k tnh ng thi cc ma trn sau:

X = T .P T + E = t h .P T + E
h =1
a

Y = U .Q + F =
T h =1

u h Qh + F

Trong : hai ma trn T(m xa) v U(m xa) (m hng v a ct) l ma trn tr s ca X v Y tng ng. PT(a x k) v QT(a xp) l ma trn trng s c chuyn v ca X v Y. E v F l ma trn sai s d (residue) ca X v Y khi c a cu t chnh PC1 c dng. Trn thc t gia score ca X v Y ( tc l gia T v U) c quan h trong (inner) vi nhau. Do , vi mi PCh (h=1->a) c tnh cht:
u h = bh .t h trong gi tr u l gi tr tnh c; bh l h s hi qui ca mi PC. Nh vy t gi tr u c th tnh c ga tr Y bng cch thay vo phng trnh trn: T Y = TB.Q +F

Vi B l ma trn ca bin hi qui c lp bh ( a xa) Khi lp c ma trn score v loading cho X v Y th nng mu cha bit c th tnh c t score ca mu cha bit t* t*h = E*h .Wh E*h = E*h1-t*hPTh Trong : Wh : trng s ca s liu trong ng chun X c tnh bng thut ton PLSR, chng c dng lm trng s trung gian trong vic xc nh loading cho X trong ng chun (PhT). E*0 c dng tnh PC u tin (h=1) ; du * ch mu mi c phn on.

17

T Y t c t : Y = bh t h q h h =1

vi mt vecto gi tr ca Y (p=1) th thut ton

c gi l PLS1. Nu c p bin n trong ma trn Y th PLS1 c th lp li thay phin nhau. Cc phng php kim tra/nh gi cho gm: - Loi b dn tng bin mt ( leave one- out): loi 1 quan st ti mt thi im tnh ton. Vi tp s liu ln phng php ny rt mt thi gian v n tnh li m hnh nhiu ln nu tp s liu cha cng nhiu bin. - Loi b c nhm (leave-group-out of size): loi nhiu quan st ti cng thi im, phng php ny thch hp cho tp s liu ln v c th gim s bin cn tnh li trong m hnh. - Loi ct c bit (leave-out of specified in column): khi tnh m hnh s loi ng thi nhiu quan st. * Chn s cu t chnh cho m hnh: y l bc c bn trong phn tch hi qui a bin. Khi xy dng m hnh PLS cn tnh tng bnh phng sai s d d on (the predictive residual error sum of squares- PRESS). i lng ny l php o tnh thch ng ca m hnh. C th dng F-test so snh s cu t chnh trong m hnh so vi s PRESS nh nht, n* , vi tt c m hnh c s PC nh hn ( n <n*) v c xem nh m hnh ti u vi s PC t nht m gi tr PRESS ca n khng ln hn c ngha vi gi tr nh hn. Thut ton ny nh sau: Ga s h c m mu cha p cht phn tch v mt s m hnh cha cc cu t chnh khc nhau (n=1, 2 ,n* y n l sdung PC c gi tr tuyt i nh nht) c xy dng v F(n) c tnh t:
F ( n) = PRESS (n)(mod el _ with _ nPCs ) PRESS (n * )(mod el _ with _ n * PCs )

V Th d : vi cc ga tr y v X trn, dng thut ton PLS trong chng trnh MINITAB kt qu thu c nh sau :
Analysis of Variance for y Source Regression Residual Error Total DF 1 4 5 SS 7,3004 11,5329 18,8333 MS 7,30044 2,88322 F 2,53 P 0,187

Model Selection and Validation for y R-Sq

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Components 1 2 3

X Variance 0,671902

Error SS 11,5329 7,7655 6,5483

R-Sq 0,387634 0,587675 0,652301

PRESS 22,11 101,41 1058,93

(pred) 0 0 0

Regression Coefficients Constant x1 x2 x3 x4 y 1,91917 0,24289 0,27811 0,11401 0,15634 y standardized 0,000000 0,292614 0,197523 0,137350 0,118570

Thut ton PLS trong matlab: Bc 1: Nhp ma trn s liu X(mxk) v y(mx1)

X=

x11 ... x1n ...x1k x 21 ... x 2 n ...x 2 k ... ... .. x m1 ... x mn ... x mk

y1 y Y = 2 ... ym
Bc 2: Dng lnh wrteg sp xp li cc ga tr trong ma trn X v y thnh Xreg c kch thc m-n-1v Yreg hnh thnh t y bng cch xo i n dng u tin.

Ma trn X cn li l:

xn1 ...x11 ...xnk xn+1,1 ...x21 ...xn+1,k Xreg = ... ... ... xm1,1 xm n ,1 ...xm1,k

...x1k x2 k ... xm n ,k

Vecto ct ca y s c dng:

yreg =

y n +1 y n +2 ... y n +k
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Bc 3 : tnh cc h s trong phng trnh hi qui PLS bng lnh plsr Trong phn ny c th s dng cc gi tr theta : ma trn h s hi qui trng ct th i ca theta c xc nh theo Matlab. Khai bo s bin u vo ninput v s bin o lv W l ma trn cha ga tr u ra c kch thc n ( s h s hi qui) bi lv ch vecto ct trc giao ti a ha phng sai cross giu bin nhp v gi tr xut. Vec to ct CW cha cc h s lin quan n vecto trc giao tnh theta Theta= w*cw Ssqdif l ma trn lvx2 cha phn trm phng sai ca PLS, trong ct u tin cha thng tin u vo, ct th hai cha thng tin u ra. Dng th ca ssqdif cho gsia tr phng sai c tnh bi bin o i u tin. Yres : s d tnh c ca sai s d on.

Th d : X=[1 2 3 4; 4 5 6 7 ; 5 3 4 5; 7 6 8 9; 2 3 4 6 ; 7 8 9 5] X= 1 4 5 7 2 7 2 5 3 6 3 8 3 6 4 8 4 9 4 7 5 9 6 5

Y=[ 14; 3; 67; 8; 9; 6] Y= 14 3 67 8 9 6

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[Xreg, yreg]=wrtreg(X,Y, n) Xreg = Columns 1 through 12 5 7 2 4 5 7 1 4 5 3 6 3 5 3 6 2 5 3 4 8 4 6 4 8 3 6 4 5 9 6 7 4 5 7 9 5

yreg = 8 9 6 >> ninput=3; >> lv=2; plotopt=2' plotopt = 2 >> [theta, w, cw, ssqdif, yres]=plsr(Xreg, yreg,ninput, lv, plotopt) Percent Variance Captured by PLS Model ----X-Block------ ----Y-Block-----LV# 2.0000 This LV Total This LV Total 1.0000 92.9100 92.9100 96.4797 96.4797 3.8378 96.7478 2.0157 98.4954

21

theta = 0.3237 0.0252 -0.0689 0.1584 0.0757 0.0857 0.2112 0.0665 0.1174 0.2020 0.0983 0.1492

w= 0.2810 0.6563

0.2908 -0.3310 0.1808 -0.4817 0.2346 0.1931 0.3128 0.2493 0.3837 0.3055 0.1832 0.0051 0.2443 0.0288 0.1136 0.0525 0.2517 -0.1107

0.3226 -0.2414

0.3788 -0.2178

cw = 0.4357 0.3067

ssqdif =

22

92.9100 96.4797 3.8378 2.0157

yres = 1.4340 -0.7358 -0.3543

nh gi phng trnh hi qui tm c cn dng tp s liu mi ca cc dung dch chun. Cu lnh: yres = validmod(xreg,yreg,theta,plotopt)

23

* PLS- DA. y l dngdc bit ca m hnh PLS tm ra cc bin v hng trong khng gian a bin, m phn bit c nhng loi bit trong tp hp ng chun. Trong PLS-DA, ma trn ch th Y ca cc bin c xy dng sao cho cha nhiu ct nh trong xy dng ng chun, c ngha l mi loi c mt ct trong Y. Mi loi bin cha gi tr 0 hoc 1 tu thuc bin l loi no. thu c s ph hp phng php cross- validation c dng chn kch thc ca m hnh PLS. H s cross- validation ca php xc nh Q2 c dng nh gi s ph hp. Gi tr ca h s xc nh R2 ch ra phng sai thu c trong cc . Cc bc tin hnh : Vid d phn tch hn hp c nhiu cu t theo phng php trc quang. Ma tran s liu xy dng phng trnh hi qui s l ma trn hp th quang A0 v ma trn nng Co Thut ton PLS trc giao gm cc bc sau: - Tnh vector ti trng (weight) w: - Tnh score v loading: t1= A0 w P1 = A0Tt1 / t1T t1 q1 = C0T t1 / t1T t1 Ma trn v vc t s d trong A0 v C0 l : A1 = A0- t1P1T ; C1 =C0- t1q1T T phng trnh tuyn tnh tng qut h s hi qui c tnh l : b= w(PTw)-1q v a= Cmean-ATmean b Phng trnh ny s c dng tnh cc cu t trong mu

A C w = 0T 0 C0 Co

5.4. Hi qui a bin phi tuyn tnh

Tt c cc phng trnh hi qui tuyn tnh v tuyn tnh a bin u c th m rng cho trng hp cc bin phi tuyn tnh bng cch chuyn thnh dng tuyn tnh, ph hp ho cho hm phi tuyn, hoc s dng cu t chnh. 5.4.1. Phng php mng nron nhn to (artificial neuron network- ANN) : ANN l khi nim tng i mi trong qu trnh x l s liu. Tuy nhin s cng trnh khoa hc s dng ANN trong Ho phn tch ngay cng nhiu c bit trong lnh vc du o v phn tch hi qui a bin phi tuyn tnh gii quyt bi ton nh lng ng thi nhiu cu t trong hn hp.

24

ANN l cng c phn tch s liu da trn m hnh tnh ton gii quyt nhng vn phc tp. ANN gm nhng n v x l s liu dy c lin quan mt thit vi nhau. Mi n v c ni vi n v bn cnh bng lc (weight). Vic xem xt c kt hp bng cch chun ho nhng lc ny to ra mng c kt qu thch hp. S d phng php ny c tn gi l ANN v m hnh x l thng tin tng t nh no ngi trong cc nron truyn ti d liu bng cch tnh hay d on u ra (output) d trn cc d liu u vo (input), trng lng (weight) v lch (bias). Phng php ny rt thch hp mo hnh ho g h phi tuyn tnh. - m hnh ANN a lp lin h xui ( feed-forward) cso dng nhu sau: X1

Input X1 X2 X3 . . Xi . . Xn n Incident arc n+m i n+2 S output 1 2 3 W1, n+1 n+1 Wn+1,s

25

Trong m hnh trn, gi N l tp hp cc nt mng th c th xem N gm 3 tp hp con l NI ( nt nhp- input node), NH ( nt n- hidden node) v NO ( nt xutoutput node) Nu gi thit trong hm thu c c n bin x1xn m chng ta mun tm ( v d nh lng ng thi n cu t trong hn hp) ta s c N I =n. Mng nron c m nron n N H = m vi lch trong mi nron n v xut. Trong hnn mt mng nron c dng NI={1,2,n} v NH= {n+1, n+2n+m}. Gi su c mu phn tch vi cc gi tr u vo l x={x1..xn} th amngj nron cung cp thng tin u ra NN(x,w) l hm ca trng lng w. Mi nt i trong lp nhp nhn tn hiu xi c gi qua tt cc cc cung ti cc nt trong lp n. Mi nt j trong lp n nhn tin hiu u vo input(j) theo phng trnh: Input(j)=j +

x w
i =1 i

ijj

Tron wj l lch ca nt j; wij l gi tr trng lng trn cung t nt i trong lop nhp n nt i trong lp xut. Mi nt n chuyn gi tr nhp ca n bng trung bnh ca hm phi tuyn sigmoid Output(j)= sig(input(j)). Hm ny c dng sau:
sig ( x) = 1 1 + ex

Mi nt n j s gi tng tn hiu output(j) qua cung (j,s). Nt s trong lp xut nhn tng trng lng ca ga tr n t lp n. Tng ny NN(x,w) l gi tr xut ca mng theo phng trnh

N N( x, w) = ws + output n + j ) wn + j , s (
j =1

trong qu trnh training mng ( supervisor training)vn t ra l tm gi tr trng lng (gm cc yu t lch) m ti thiu ho sai s (RMSE theo tp training E. Mtnkhhi qu trnhf ti u ho c trnh by v trng lng c lp (w=w*)th mng sn sng tnh ga tr u ra khi c bt k ga tr ua vo no. Sai s kim tra ( testing error-TE) tinhd RMSE theo thnh vin trong tp kim tra TS= {y1 , y2..ys }

TE =

error ( y , w
i i =1

Ba m hnh ph bin ca ANN l: - liene h (lan truyn) xui ( feed-forward) - Hm c bn radial (radial basic function) - hybrid fuzzy system system) (cn gi l adaptive-network- base fuzzy inference

26

5.2.1. Thut ton lan truyn ngc ( backpropogation) Thut ton ny c to ra bng cch tng qut ho qui lut ph bin ( learning) Widrow- Hoff vi mng a lp v hm chuyn vi phn khng tuyn tnh, Vc t nhp v vc t mc tiu tng ng c dng to mng cho n khi n c th xp x ho mt hm lin quan ti vc t nhp v vect xut c bit hoc phn loi vc t nhp thnh cc cch tng ng c m t trc. Mng vi lch (bias), lp nhp l hm tng ( sigmoid) v lp xut tuyn tnh (linear) c xem l c kh nng xp x ho bt k hm no vi s hu hn cc gin on. Thut ton lan truyn ngc chun l l thut ton gim graient trong trng lng khi ( network weight) c dch chuyn dc theo trc m ( negative) ca graient ca hm biu din. Thut ng lan truyn ngc ni ln cch tnh graient i vi mng a lp khng tuyn tnh. C rt nhiu dao ng (variation) trn thut ton c bn da trn nhng k thut ti u chun khc nhau nh graient lin hp hay thut ton newton. Thng thng mt gi tr u vo mi s cho gi tr u ra tng t vi u ra ng i vi vec t u ra dng trong training m tng t vi gi tr u ra mi c trnh by. S mng BP ANN gm 4 lp nh sau: Wjj H Wij h h1 X1 X2 X3 . Xi . . Xn Bin nhp In hn+1 Hn+1 Lp n n+1nron Lp xut 1nron Ii I1 h2 I2 h3 I3 hj Hj . O H3 H2 Wij O H1

Lp nhp Lp n n nron Hm sigmoid n+1 nron

Nu c n bin u vo ta s c tn hiu vo ng thi cc nt nhp v c lan truyn thng qua cc nron ri xut hin ti im ra cui cng ca mng nh tn hiu ra. Tng tn hiu vo ti mt nron c tnh l hm ca cc tnhiu vo vf lin quan
27

n synaptic weight ng dng cho mt nron no . Nron ny s chuyn tng tn hiu nhp thnh tn hiu ra ( outgoing) s dng hm chuyn i ( transfering function) v pht i n cc nron khc. trong khi mt tn hieu sai s xut pht ti mt nron ra ca mng v truyn ngc li theo tng lp n cc nt mng pha trc. Mi qu trnh truyn i ca tn hiu v truyn ngc ca sai s c gi l mt bc lp (epoch). Tn hiu sai s v graient sai s ti mi nron c tnh cho mt weight optimizato sao cho sai s u ra l nh nht. Hm chuyn: ( transfer function) 5.2.2. Hm c bn radial: (radial basic function- RBF). Phng php ny c s dng rng ri nh c tnh ph bin (robust) v nhy cao c bit vi nhng s liu nhiu so vi phng php ANN_BP. M hnh RBF gm 3 lp: lp nhp xuyn qua ( pass-through input layer), lp n v lp xut theo phng php lin h xui. Mi nron ca lp n i din cho mt ht nhn ( hm chuyn trong lp n gi l kernel)hay hm c bn c kch thc nh tp s liu nhp vo. Lp nhp v lp n c ni vi nhau bng n v trng lng. V d nu tp s liu c kch thc l 20 th RBF s c 20 chiu. Mng RBF thng s dng hm kernel l hm gaussian tnh v s khng tuyn tnh. Hm Gaussian c c trng bi hai thng s l gi tr trung tm (centroid- Cj) v rng ( j). u ra te nron Gaussian th j vi i lng nhp vo xi c tnh theo phng trnh sau
out j = j ( x i C j ) = exp( xi C j ( j ) 2
2

y xi C j l khong cch Eucledean gia xi v Cj gi tr j xc nh phn nhp ca FBF th j v tn hiu mc tiu ca mi nt xut hin c tnh bi hm tuyn tnh ca u ra ( gm lch ca u ra w kj y chnh l u ra ca lp n (outk) . quan h gia gi tr outk v bin nhp xi c biu din nh sau: outk= wKo +

w
j

kj

j ( xi C j

Trng lng wkj c iu chnh n gi tr sai s bnh phng trung bnh nh nht. Trong m hnh RBF-ANN neuron trong lp n khng s dng weighted sum ca input v hm chuyn sigmoid., thay vo u ra ca mi nron trong lp n i din cho mt hm c bn c xc nh bi khong cch Eucledean gia gi tr input v trung tm ca hm c bn. Khi nt chuyn ng ra khi trung tma khi trung tm nron u ra s gim nhanh n khng. Hm newrb trong Matlab c dng to ra hm c bn radial . N s to ra mt nron radial c bn ti mt rhi im v thm nron vo mng cho n khi tng bnh phng sai s gim ti gradient hoc t s nron ln nht (ga tr ny ph

28

thuc vo phn tn ca hm c bn raial. Nu phn tn ln th dc ca hm c bn radial gim. nu phn tn nh th hmcbn radial s rt dc n mc nron c trng lng gn nht vi ga tr nhp s cho gi tr u ra ln hn nhng nron khc. Th d: Phn tch ng thi maltol, ethyl maltol, vanilin v ethyl vanilin bng phng php UV. Ma trn s liu trc giao l ga tr ph ghi trong khong bc sng 200-350 nm vi 16 dung dch ( ngun: Yongnian N. et al., 2005. Analytical, nutrial and clinic methods. Food Chemistry, 89 , 465-473 5.2.2. Phng php hi qui cu t chnh kt hpvi mng nron nhn to (PCA-ANN) Trc khi thc hin ANN, cc s liu v bin ph thuc trong phn tch ng chun c thc hin theo ph\ng php PCA tm cc gi tr ring score v ti trng loading. Trong m hnh ny cc ga tr ring (score) khi thc hin PCA vi tp s liu ng chun c dng lm lp nhp . phng php PCA-ANN c xy dng da trn vic s dng gi tr khc ca cc PC. Lp n cha cc nron vi hm sigmoid v lp xut vi hm tuyn tnh linear. Thut ton lan truyn ngc c p dng cho mng PCA-ANN a lp feed-forward. Cc bin ca PCA-ANN c ti u sao cho t c sai s nh nht khi so snh vi nng bit trc. Cc dung dch dng xy dng m hnh theophng php ng chun cn trnh c tng quan nng v s gy ra tnh xen ph ( overfitting) trong m hnh. Th d: ( ngun thng tin: K. Zarei et al., Il Farmaco 60(1), (2005), 37-42) Xc nh ng thi Fe(II) v Fe(III) bng hn hp thuc th 1,10- phenaltrolin 0,005 M v thioxianat 0.05M pH=1 ( m HCl-NH2CH2COOH) trong dung dch mu cha 30% (v/v) axeton. hp th quang ca dung dch phc mu hn hp c o trong khong 380600 nm vi tc qut 3000 nm/pht , khong cch ghi l 1.29 nm. xy dng ng chun pha 18 dung dch hn hp cha ng thi Fe(II) trong khong 1-8 mg/l v Fe(III) 0.4-9 mg/l sao cho cc dung dch khng c s tng quan v nng trnh s xen ph m hnh. Ma trn s liu hp th quang l ma trn A c kch thc 18 x170 (18 mu v 170 bc sng) M hnh PC-ANN 3 lp vi thut ton lan truyn ngc c s dng. u tin, dng PCA tm cc ga tr ring (score) ca cc cu t chnh (PCs) v dng n lm nt nhp ca lp nhp. Lp n cha cc nron vi hm chuyn thng tin l hm sigmoid. Lp xut cha hai ga tr u ra l nng Fe(II) v Fe(III). trnh s chng cho m hnh (overfitting), m hnh hi qui c chn ( s PC, s nt trong lp n, s bc- epoch, learning rate, momenttum), phi c sai s bnh phng trung bnh ca tp s liu d on (MSEP) nh nht.

29

Trong cc phng php kim tra tnh ng n cu m hnh, phng php kim tra cho (loi b mt) thgn c dng xc nh s PC da trn vic tnh gi tr PRESS theo s PC. -----------------

30