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xi bin u vo (1 i k).
y thng s u ra (bin b iu khin).
- bin ngu nhin khng iu khin c.
Hnh 6.1. M hnh nghin cu thc nghim cc i tng cng ngh.
Ta cn thit lp quan h: y = f(x1, x2,,xk) +
Hay: y = f(X) +
(6.1)
(6.2)
Khi gi thit bin ngu nhin c phng sai D() = 2 v c k vng ton hc E() = 0 th i
lng ngu nhin ny tun theo mt lut phn b no (nh phn b chun) dng:
= N(0, 2)
(6.3)
Nu m hnh ch p dng cho mt min gii hn nht nh ca bin (iu kin rng
buc ca bin) gi l m hnh cc b (a phng).
xk
x 1 , x 2 , ... ,=
f
Vi 1 i j k
Cc h s 0, j, jj, c xc nh t s liu thc nghim th phng trnh thu c
gi l phng trnh hi qui thc nghim ca h thng, khi :
m
1 x 11
1 x 21
x 12 x 1 k
x 22 x 2 k
1 x n 1
x n2 nk
X =[ ]
(6.6)
[]
y1
y
Ma trn ct c dng: Y = 2
yn
(6.7)
[]
b0
b
Ma trn cc h s hi qui tuyn tnh c dng: B= 1
bk
(6.8)
1 1
x11 x 21
1
1
x 31 x n 1
x1k x2k
x 3 k nk
(6.9)
X =[ ]
Nu cc kt qu thc nghim c biu din theo phng trnh hi qui tuyn tnh
bng phng php bnh phng cc tiu th ta c dng ma trn ca h phng trnh chun:
( X T X ) .B= X T Y
Suy ra:
(6.10)
X
( T Y )
T
(6.11)
B=( X X ) .
Vi (XTX)-1 l ma trn nghch ca ma trn XTX khi nh thc ca ma trn XTX khc khng hay
ma trn XTX khng suy bin.
Ma trn trc giao X c nhng tnh cht sau:
-
x im x ij =0
vi j, m= 0, k
(6.12)
i=1
x ij =0
vi j 0.
(6.13)
i=1
p dng tnh cht ca ma trn trc giao, chng ta c ma trn XTX tr thnh ma trn
ng cho:
[ ]
n 0 0
n
X X=
x 2i 1
i=1
(6.14 )
..
n
0 0
x 2ik
i=1
Khi , ma trn nghch o (XTX)-1 trong qui hoch trc giao c dng:
X
1
0 0
C20
1
0
C 21
..
1
0 0
2
Ck
(6.15)
1
( T X ) =
Vi:
C = xij2
2
j
vi j= 0,k
(6.16)
i=1
1
1
x 11 x 21
1
1
x 31 x n1
x1k x2k
x 3 k nk
[]
n
[]
y1
y
X T Y =[ ] 2 =
yn
yi
i=1
n
xi 1 y i (6.17)
i=1
n
x ik y i
i=1
C k+
i, chng ta bin i phng trnh hi qui a thc bc v phng trnh hi qui tuyn tnh
bng cch thay cc s hng phi tuyn ca thc bng cc s hng tuyn tnh. Phng trnh
ny c gi l phng trnh tuyn tnh ha theo thng s. Nu bc ca a thc cha bit
trc th vic tnh ton thng phi tin hnh vi ln, tng dn bc ca a thc n khi no
phng trnh hi qui nhn c tng thch vi thc nghim. Mi ln tng bc a thc, ton
b vic tnh ton lin quan n phn tch hi qui u phi tnh ton li. S thay i bc ca
a thc hoc loi b mt phn cc s hng trong phng trnh hi qui dn n thay i cc
gi tr tnh ton cc h s cn li trong a thc. Khi xut hin s khng xc nh trong
vic c lng cc h s hi qui, gy kh khn cho vic gii thch nh hng ca cc bin
c lp vo i lng nghin cu.
loi b cc kh khn ni trn, chng ta tin hnh thc nghim theo qui hoch trc
giao v ma trn thc nghim trc giao phi tha mn cc iu kin sau:
-
H s bj l c lng trng ca cc h s j.
^y
l c lng trng ca y.
vi j= 0,k
x 2ij =N
(6.18)
i=1
Vi k l cc yu t, n l s mc th s th nghim N = nk .
Nu cc th nghim ch thc hin hai mc, thng l hai gi tr bin ca mi yu t
kho st th N = 2k. Gi s kho st bin Zj vi hai gi tr bin l aj < bj (1 j k), chng ta
thc hin mt s php bin i sau:
t:
Z j 0=
a j +b j
b ja j
v Z j=
2
2
x j=
Z jZ j 0
Zj
N
X T X= 0
0
0
N
0
N
0
= N.I
[ ]
1
N
Suy ra:
( T X ) =
1
1
. I= 0
0
N
N
1
0
N
0
[ ]
N
1
yi
N
i=1
N
1
( T Y )= N x i 1 y i ( 6.19)
i=1
1
N
x ik y i
i=1
B=( X X ) .
Hay:
N
1
1
b0 = y i v b j= x ij y i (6.20)
N i=1
N i=1
Khi phng trnh hi qui c dng:
k
^y =b 0+ b j x j(6.21)
j=1
j=1
j i
^y =b 0+ b j x j+ bij x i x j (6.22)
Cc h s bij c xc nh theo cng thc sau:
N
1
bij = (x i x j )u . y i (6.23)
N u=1
Vi s lng h s bij c xc nh theo cng thc:
2
C k=
k(k +1)
k!
=
2
2 ! ( k 2 ) !
(6.24)
Bc 2: tin hnh thit lp cc biu thc tng quan sinh biu din cc mi tng
quan gia mi thng s p vi mt tch cc thng s trong r thng s chnh. Cc biu thc
tng quan sinh c th l tch ca cc thng s trong r thng s chnh mang du dng hay
m.
Bc 3: kim tra tnh tin li ca m hnh c lp: nu ma trn X khng c cc
ct ging nhau hoc ngc du nhau th vn m bo tnh trc giao, qui hoch thc nghim
t yu cu.
Bc 4: tin hnh xc nh v kim tra ngha ca cc h s hi qui bj, kim tra s
tng thch ca phng trnh hi qui thu c.
6.1.3. Qui hoch trc giao cp 2
Qui hoch trc giao cp 2 l qui hoch thc nghim v x l s liu thc nghim theo
phng php xy dng m hnh hi qui cp 2 vi cc iu kin tng t nh qui hoch
thc nghim yu t ton phn (qui hoch trc giao cp 1).
Phng trnh hi qui bc 2 y c dng:
k
j=1
j i
j=1
^y =b 0+ b j x j+ bij x i x j+ b jj x 2j (6.25)
Xy dng ma trn trc giao X bao gm ba loi th nghim:
-
x i 0 x 2ij 0
vi j= 1, k
(6.26)
i=1
x 2ij
> 0 nn:
x 2ij x 2iu 0
vi j= 1, k , j u
(6.27)
i=1
V vy, khi xy dng ma trn trc giao X cn chn sao cho trc giao ha cng thc
(6.26), (6.27).
Gi s xt qui hoch thc nghim k = 2 yu t v n0 = 1 th ma trn X c dng:
+++++
++ +++++
+++ +
0
+++ 0
+ + ++ 0
0
0
0
0
0
0
X=
t
x 'i=x 2i
0
2
0
2
0
0 2
0 0
(6.28)
(i = 1, 2) th ta c:
+++++
+ 1 1 1 1 11
+++ +
0
0
0
++ ++
0
0
0
0
0 2
+ 11 0 2
2 2
0
0
X=
(6.29)
S dng cc iu kin trc giao ca ma trn X:
Tch v hng ca vect ct 1 v ct 6 bng 0, tc l ta c ng thc sau:
22(1 - ) + 22 2.2 - = 0
Hay tng qut vi k yu t: 2k(1 - ) + 22 2k - n0. = 0
Suy ra:
2k +2 2 2 k +2 2
k
=
N
2 +2 k+n0
x 'i=x 2i
2 k +2 2
N
(6.30)
= N .2k22k1
(6.31)
X
( T Y )
T
B=( X X ) .
6.1.4. Qui hoch thc nghim tm cc tr
Cc phng trnh hi qui thu c l biu din gn ng i tng cng ngh m ta
ang kho st. Vn t ra l tm
x 1
x 2
,,
x k
sao cho:
y ( x1 , x2 ,, x k ) y(x 1 , x 2 ,, x k )
(6.32)
Tm phng trnh hi qui cp 2 bng qui hoch trc giao cp 2 v cui cng l dng
phng php qui hoch phi tuyn tm cc tr: qui hoch li hoc qui hoch ton
phng.
Vect gradient ca hm y = f(x) ti x* (k hiu l grad[f(x*)]) l vect c chiu biu th s
f ( x ) f ( x )
f ( x)
grad [ f ( x ) ]=
i+
i ++
i
x1 1 x2 2
xk k
10
(6.33)
Vi:
f (x )
xj
^y =f (x)=b0 + bi x i (6.34)
i=1
Kim nh s tng hp ca
^y
x bng mt phng th D0 khng cha im cc tr. Chuyn sang vng D1 theo hng
gradient [f(x0)] cho n khi y khng tng c na. Lp li qu trnh ny n khi hm
^y
f ( x0 )
(
)
f ( x )=f x +
xi +
0
i=1
xi
2 f ( x 0 )
2 f ( x 0 ) 2
1
x x +
x +(6.35)
2
2 ! i=1 j=1 x i x j i j j=1 x j2 j
Nu ta ly gn ng n s hng bc nht v t:
k
f ( x0 )
(
)
f ( x )=f x +
xi =b0 + bi x i (6.36)
i=1 x i
i=1
0
b i x i (6.37)
i=1
Z j =Max|b j .Z j|
j=
1,k
hj bj.Zj
b .Z
=
= h j = j j h j (6.39)
hj bj . Z j
bj . Zj
11
(6.38)
L
0
Z j =Z j +h j ,vi j=1,k
. Ti y ta lm th nghim xc nh
12
X
1
2
C0
0 0
1
0
2
C1
..
1
0 0
C2k
0
[]
n
yi
i =1
n
x i 1 y i (6.40)
i=1
xik yi
i=1
( T Y )=
1
B=( X T X ) .
Suy ra:
[ ]
n
1
yi
C 20 i=1
n
1
B= 2 xi 1 y i (6. 41)
C1 i=1
1
n
C 2k x ik y i
i=1
xij y i
bj =
i=1
N
(6.42)
2
ij
i=1
13
(x i x j)u . y i
bij =
u=1
N
(6.43)
( xi x )
2
j u
u=1
x 2uj . y
2
x uj
( 2 6.44)
u =1
b jj =
s 2bj
xuj
u=1
2
2
bj
s =
sth
2
bij
;s =
2
ij
i=1
s th
sth
;s =
2
bjj
( xi x j )u2
u=1
|b j|
t bj =
(6.46)
s bj
14
Phn sai
2
2
bj
s =
s th
n
s bj
2
sth
= (6.47)
N
2
xi
i=1
s 2th
n0
1
s =
( y i 0 y o )2 (6.48)
n01 i=1
2
th
Trong :
-
N: s th nghim.
fth = n0 1 : bc t do ti hin.
Thng thng chn mc ngha = 0,05. Tra theo chun Student ta c c gi tr t(fth).
-
Ngc li, nu tbi < t(fth) th h s bi b loi khi phng trnh hi qui.
Bc 2: kim tra s tng thch ca phng trnh hi qui theo tiu chun Fisher:
F=
s2d
2
sth
(6.49)
Phn sai
s 2d
1
s =
( y i y )2 (6.50)
NL i=1
2
d
Trong :
-
15
Bc 6: xc nh ch thc nghim ti u.
Mi bc c th thc hin php lp nu cha t yu cu v mc tiu ca cng ngh,
x2
( y i y )2
: SUMSQ(number1, number2,).
: SUMXMY2(array_x, array_y).
(xi x )2
: STDEV(number1, number2,).
i=1
n1
t ca ma trn cn tnh (qut khi kch thc ma trn) v n gi ng thi ba phm Ctrl +
Shift + Enter.
V d 1: Tin hnh qui hoch thc nghim nghin cu nh hng ca 3 yu t Z1, Z2, Z3 ln
hm mc tiu y vi s liu thu c nh sau:
Bin
n = 2k
n0 = 3
16
thc
10
11
Z1
150
300
150
300
150
300
150
300
225
225
225
Z2
30
30
90
90
30
30
90
90
60
60
60
Z3
15
15
15
15
45
45
45
45
30
30
30
3,0
6,0
10,0
12,0
15,0
23,0
12,0
18,0
12,0
13,8
13,2
Trong :
-
17
x 1=
Z 1Z10
Z1
x 2=
Z 2Z20
Z2
18
x 3=
Z 3Z 30
Z3
X
( T Y )
T
B=( X X ) .
19
Ma trn XTX: l ma trn c kch thc 4 dng, 4 ct. Nhn hai ma trn XT vi ma trn X: ta
qut khi cc H27:K30 v nhp cng thc: =MMULT(H21:O24,A21:D28) v nhn ng
thi ba phm Ctrl + Shift + Enter.
Ma trn XTY: l ma trn c kch thc 4 dng, 1 ct. Ta nhp cng thc:
=MMULT(H21:O24,F21:F28).
Ma trn h s hi qui B: ta qut khi cc D31:D34, nhp cng thc =
MMULT(M27:P30,A31:A34) nhn ng thi ba phm Ctrl + Shift + Enter.
20
Ta thu c cc h s hi qui: b0= 12,375; b1= 2,375; b2= 0,625; b3= 4,625.
Bc 4: tin hnh lp bng tnh kim tra ngha ca cc h s hi qui:
s 2th
|b j|
t bj =
s bj
21
^y =12,375+2,375 x 1+4,625 x3
Bc 5: lp bng tnh kim tra s tng hp ca phng trnh hi qui thu c:
Tnh gi tr ca ct
^y
^y
, ti
Phng sai
s 2d
sau: =SUMX2MY2(J8:J15,K8:K15)/(B15-3), vi L = 3.
22
Tnh h s
F=
s2d
s
2
th
Tra chun s Fisher F(, ftt, fth): vi ftt = N L = 5 , fth = n0 1 = 2 nn ta nhp cng thc ti
I3: =FINV(0.05,5,2).
Kim tra tnh tng thch: ti I4 ta nhp cng thc: =IF(I2<I3,Tng thch,Khng tng
thch).
Kt qu so snh ta thy phng trnh hi qui thu c tng thch vi thc nghim.
V d 2: Tm mi quan h hi qui theo qui hoch cp 2 theo 3 bin vi s liu thc nghim
nh sau:
N
13,9
18,5
2,0
3,0
16,0
18,5
9,0
12,0
15,0
10
11
12
13
14
15
16
17
18
8,0
7,5
15,8
11,5
5,0
10,1
11,2
9,9
12,3
Gii:
Chn phng trnh hi qui bc 2 y theo cng thc (6.25) th qui trnh ngh gii theo
cc bc sau:
Bc 1: Xc nh cc thng s , cc bin ph:
Vi m hnh trc giao cp 2 vi k = 3 yu t th tng s th nghim phi thc hin l N = 2k +
2k + n0 = 23 + 2 . 3 + n0 = 18, nn s th nghim lp li tm n0 = 4.
23
= N .2k22k1
18.2
32
231= 2=1,414
2 +2
x =x
N
'
i
2
i
x 2i
8+2.2 2 2
=xi
18
3
X
( T Y )
T
B=( X X ) .
24
n dng x m
ct
XT
XTX
(XTX)-1
XTY
10 x 14
10 x 10
10 x 10
14 x 1
10 x 1
10 x 1
Ngoi phng php tnh ma trn B theo cc ma trn trn, ta c th tnh trc tip ma trn B
trc tip thng qua ma trn X nh cng thc: ta qut khi cc C23:L23, nhp cng thc:
=TRANSPOSE(MMULT(MINVERSE(MMULT( TRANSPOSE (C3:L16),
C3:L16)),MMULT(TRANSPOSE(C3:L16),M3:M16))) v nhn ng thi ba phm Ctrl + Shift +
Enter.
s 2th
25
|b j|
t bj =
s bj
^y
2
3
) + 1,7375 (x22
2
3
^y
^y
, ti
26
Phng sai
s d
sau: =SUMX2MY2(M3:M16,N3:N16)/(B20-7), vi L = 7.
Tnh h s
F=
s2d
2
th
Tra chun s Fisher F(, ftt, fth): vi ftt = 18 7 = 11 , fth = n0 1 = 3 nn ta nhp cng thc
ti N26: =FINV(0.05,11,3).
Kim tra tnh tng thch: ti O23 ta nhp cng thc: =IF(N25<N26,"Tng thch","Khng
tng thch").
Kt qu so snh ta thy phng trnh hi qui thu c tng thch vi thc nghim.
6.5. Bi tp:
Bi tp 1: Lp phng trnh hi qui m t nh hng ca: hm lng kim loi trong tng
ioxit Zr(Hf)O2, g/l; nng acid , lg/ l; nng tributyl photphat trong O xylen, phn (V);
t s th tch 2 pha ln qu trnh tch hafini va ziricon bng tributyl photphat theo s liu thc
nghim sau (mt th nghim tm c y0 = 14,1):
n = 2k = 24 = 16
10
11
12
11,5
8,2
8,5
14,0
12,7
10,0
12,5
13,5
10,58
9,48
14,1
9,65
n = 2k = 16
2k = 2.4 = 8
27
13
14
15
16
17
18
19
20
21
22
23
24
11,38
11,17
11,8
13,3
13,8
12,95
7,9
13,05
12,9
10,3
12,5
13,9
CA
CB
CC
T
=80 ph
=160 ph
=320 ph
=640 ph
=1280 ph
3,17
5,39
8,66
15,90
22,60
14,8
23,4
34,30
34,60
20,30
4,80
10,80
22,50
34,60
42,00
23,20
39,00
55,60
63,40
41,60
3,72
3,81
17,20
20,00
23,90
17,90
28,30
40,50
34,20
21,60
8,60
13,30
25,90
39,80
50,80
30,90
51,40
72,20
76,40
38,90
7,48
9,93
20,00
30,90
24,90
10
25,30
35,30
39,10
28,40
7,50
11
13,50
27,10
43,00
58,00
49,40
12
50,80
75,60
84,20
57,00
11,50
13
9,15
15,80
27,50
33,90
23,00
14
30,80
44,40
46,70
24,90
2,94
15
22,80
37,20
57,90
69,10
53,90
16
62,60
88,00
89,50
43,40
5,80
28
Z1
Z2
Z3
Z4
Cn trn
0,55
940
120
Grafit
Cn di
0,25
740
Samot
10
11
64
90
69
130
36
95
81
100
80
82
78
29