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升级   87.37% TA的每日心情 | 无聊 2015-10-10 18:19 |
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签到天数: 24 天 [LV.4]偶尔看看III
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10体力
function parafit
/ A. _5 J$ W5 H, t' C% k1->k-1,k2->k1,k3->k2,k4->k3,k5->k4
! t1 w& n* g+ D# V- C4 N! U# f3 |% k6->k6 k7->k74 H9 R+ v2 S" E( L# Q
% dGlcdt = k-1*C(Fru)-(k1+k2)*C(Glc);, i w2 f* w& _- J0 `6 H
% dFrudt = k1*C(Glc)-(k-1+k3+k4)C(Fru);
4 E( P. ?3 W8 }3 [& i% dFadt = k(2)*C(Glc)+k4*C(Fru)+(k6+k7)*C(Hmf);8 Z( Q; U3 c- U# A
% dLadt = k(7)*C(Hmf);
1 I. Y0 _" E! B/ Q8 Y%dHmfdt = k(3)*C(Fru)-(k6+k7)*C(Hmf);
& Y8 M; i- f4 R$ g2 X2 }0 I& Aclear all
! E4 f j9 q5 V! c% @clc
5 e% _$ A. E9 m. H2 ]0 |format long7 \ s! M, P* H3 b7 u
% t/min Glc Fru Fa La HMF/ mol/L
; `1 M0 |- X/ Q6 z# d Kinetics=[0 0.25 0 0 0 0
. T/ I0 c0 R! t8 V: \, b( \ 15 0.2319 0.01257 0.0048 0 2.50E-047 P- f2 t- d; y) k: Y
30 0.19345 0.027 0.00868 0 7.00E-04
: l5 u7 S- k+ @3 D8 f 45 0.15105 0.06975 0.02473 0 0.0033( v# a0 |; K' z+ a
60 0.13763 0.07397 0.02615 0 0.004282 H9 Y U8 x' P- I& [2 V
90 0.08115 0.07877 0.07485 0 0.01405
3 n4 I9 N) N& w 120 0.0656 0.07397 0.07885 0.00573 0.02143
% c* S0 N# l. j& b: Z 180 0.04488 0.0682 0.07135 0.0091 0.03623
6 h, l$ N5 U4 I5 e 240 0.03653 0.06488 0.08945 0.01828 0.05452
/ g+ e' `9 { s/ u 300 0.02738 0.05448 0.09098 0.0227 0.05977 O! S4 L5 V& d# y* I
360 0.01855 0.04125 0.09363 0.0239 0.06495];, h6 |9 k- U1 X1 S) F2 C" X- Z
k0 = [0.0000000005 0.0000000005 0.0000000005 0.00000000005 0.00005 0.0134 0.00564 0.00001 0.00001 0.00001]; % 参数初值
) U1 J t& F8 C* G4 j8 E: Plb = [0 0 0 0 0 0 0 0 0 0]; % 参数下限8 Y( @7 p8 \9 m7 ?
ub = [1 1 1 1 1 1 1 1 1 1]; % 参数上限0 p2 A7 _' a4 h/ k6 E# ^$ q& r
x0 = [0.25 0 0 0 0];! ?% J# k- x( a1 t. _1 w$ J
yexp = Kinetics; % yexp: 实验数据[x1 x4 x5 x6] G- u0 V; F+ `* ]* E1 q
% warning off/ c; S9 h8 X( f7 h! k
% 使用函数 ()进行参数估计
* E9 C0 R& |& F+ x' V% _[k,fval,flag] = fmincon(@ObjFunc7Fmincon,k0,[],[],[],[],lb,ub,[],[],x0,yexp);
& Z# ?0 a3 ]8 v) Q+ e6 Ffprintf('\n使用函数fmincon()估计得到的参数值为:\n')
& @" b5 D! y1 {: P# [: mfprintf('\tk1 = %.11f\n',k(1))7 z: I+ B* i5 ]
fprintf('\tk2 = %.11f\n',k(2))0 W, x1 u0 s6 k. T- X& ?) _8 H
fprintf('\tk3 = %.11f\n',k(3))
1 g% V' P9 M/ i5 Y) Lfprintf('\tk4 = %.11f\n',k(4))
) f9 d' b- I5 ?0 Y5 zfprintf('\tk5 = %.11f\n',k(5))
7 y, P S& ]" f- B( Y! y' o6 Rfprintf('\tk6 = %.11f\n',k(6))
1 j$ K# U. C8 U. t u0 ?' Z/ l; rfprintf('\tk7 = %.11f\n',k(7))
0 o! a4 X. l1 @0 N+ Wfprintf('\tk8 = %.11f\n',k(8))
( b; Q% K9 X' n5 vfprintf('\tk9 = %.11f\n',k(9))
9 z6 t/ K' Y O! z. g! {' afprintf('\tk10 = %.11f\n',k(10))
2 I+ n; f9 H, R2 mfprintf(' The sum of the squares is: %.1e\n\n',fval)* \# H3 X: E% K& ?; h6 s/ k
k_fm= k;$ O, b5 ^9 r. |, {/ }* ^" {
% warning off
6 U0 h, k. v6 z9 ?% 使用函数lsqnonlin()进行参数估计$ K& k ]- N. C' R( L
[k,resnorm,residual,exitflag,output,lambda,jacobian] = ...: T& S' y" x) T1 O
lsqnonlin(@ObjFunc7LNL,k0,lb,ub,[],x0,yexp); f' F, `4 y* |' ^+ @9 R
ci = nlparci(k,residual,jacobian);
; r9 ?4 x' b$ V# ~) H1 k7 ^& G. i$ Xfprintf('\n\n使用函数lsqnonlin()估计得到的参数值为:\n')- q' u: T- M5 i! O4 S+ C
fprintf('\tk1 = %.11f\n',k(1))" L: E8 I7 Y8 @, B$ Y" B
fprintf('\tk2 = %.11f\n',k(2))
; @ j, g" v2 s& y2 [fprintf('\tk3 = %.11f\n',k(3))
# w7 L. S: _2 G- pfprintf('\tk4 = %.11f\n',k(4)); w- K! \; N$ r, k3 G
fprintf('\tk5 = %.11f\n',k(5))
0 \9 p @6 m% H1 z+ zfprintf('\tk6 = %.11f\n',k(6))
; }9 A) `- ]% _/ q% s4 ufprintf('\tk7 = %.11f\n',k(7))
9 h" x2 N! s1 x! m4 s* X" Gfprintf('\tk8 = %.11f\n',k(8))
. f1 v1 Q& K! C( B# F( ^: u$ c% K' vfprintf('\tk9 = %.11f\n',k(9))
+ C7 ^% m" B! `9 p. ]fprintf('\tk10 = %.11f\n',k(10))7 V' e. M1 I: R1 H- d% ~! {
fprintf(' The sum of the squares is: %.1e\n\n',resnorm)
, _3 b8 l/ o. c4 Mk_ls = k;: ~8 \" Q& S- w% b
output
. p4 i7 q9 [8 ]5 Hwarning off
4 ~, A6 K$ u- b3 W- \5 k% 以函数fmincon()估计得到的结果为初值,使用函数lsqnonlin()进行参数估计% y' S4 x7 q# x) S7 g
k0 = k_fm;
9 \5 l9 S# N* M1 w[k,resnorm,residual,exitflag,output,lambda,jacobian] = ...
, m" |1 b) A' I6 Z/ w lsqnonlin(@ObjFunc7LNL,k0,lb,ub,[],x0,yexp);
3 C" u: K, s7 s4 b5 @( J9 Yci = nlparci(k,residual,jacobian);1 {0 h) o; o# ]. S
fprintf('\n\n以fmincon()的结果为初值,使用函数lsqnonlin()估计得到的参数值为:\n')
% h8 E) M2 V+ L, o- Ofprintf('\tk1 = %.11f\n',k(1))
; h0 ~; c4 V ~9 o$ ]fprintf('\tk2 = %.11f\n',k(2))9 j) W% P$ u+ i# l G! L
fprintf('\tk3 = %.11f\n',k(3))
( [0 Q8 _( }% L6 y9 H1 Efprintf('\tk4 = %.11f\n',k(4))
4 f& h! f7 `, p3 r, F0 o/ Tfprintf('\tk5 = %.11f\n',k(5))
% K* e! p- @) k4 v9 @fprintf('\tk6 = %.11f\n',k(6))7 \; R) D1 {( N3 o4 s
fprintf('\tk7 = %.11f\n',k(7))
0 `: z& z/ d U" }# b$ a9 Q/ |fprintf('\tk8 = %.11f\n',k(8))
2 Z! q# o( c0 A5 Wfprintf('\tk9 = %.11f\n',k(9)): b& k& @# g$ E3 _
fprintf('\tk10 = %.11f\n',k(10))* ~2 H0 [$ T: u4 G) L6 C
fprintf(' The sum of the squares is: %.1e\n\n',resnorm)' r/ e- R# L8 m8 N4 U/ B7 f
k_fmls = k;
; |$ S1 h( b/ e1 R* x1 S. k4 @output
4 ?9 y) V! {" y1 b& K8 ]7 Jtspan = [0 15 30 45 60 90 120 180 240 300 360];& Z( M. d6 T, J# b8 v% W: Y
[t x] = ode45(@KineticEqs,tspan,x0,[],k_fmls);
& A, i+ V2 h. d( |/ pfigure;
6 B1 x8 g! k e! ~; h5 xplot(t,x(:,1),t,yexp(:,2),'*');legend('Glc-pr','Glc-real')
L, ?9 A2 m$ ]; Lfigure;plot(t,x(:,2:5));4 f2 }9 N: Z8 u3 D& U: \- [
p=x(:,1:5)! j7 n7 j% Z! [- X7 Q1 a+ h' u9 u. O
hold on
+ {% g+ E1 I* Cplot(t,yexp(:,3:6),'o');legend('Fru-pr','Fa-pr','La-pr','HMF-pr','Fru-real','Fa-real','La-real','HMF-real')
$ r/ P& Q; y6 X6 L+ f% N( O
+ l1 P! |2 f. d# }2 @, E
! j+ A1 Y& W1 |! R
: `8 M7 C$ _. b8 Pfunction f = ObjFunc7LNL(k,x0,yexp)) H8 ?- j4 e0 |6 m
tspan = [0 15 30 45 60 90 120 180 240 300 360];
8 @: ?- I1 N9 g* b y+ L G! u* B[t, x] = ode45(@KineticEqs,tspan,x0,[],k);
. c) n8 r+ c6 Z& G- U. q2 Ey(:,2) = x(:,1);
, ?1 _$ e' @& e# b; B Vy(:,3:6) = x(:,2:5);3 x+ z/ S0 B9 x6 i
f1 = y(:,2) - yexp(:,2);
- b7 L u! G4 k( Kf2 = y(:,3) - yexp(:,3);' ^& i$ O# c* U7 X
f3 = y(:,4) - yexp(:,4);
/ |$ {" V* R4 _f4 = y(:,5) - yexp(:,5);8 S1 J+ j& i: X$ o
f5 = y(:,6) - yexp(:,6);
! S7 Q: D6 B& G1 Hf = [f1; f2; f3; f4; f5];
4 o# s* j9 a8 }" P7 {
9 ?3 x. Z1 i4 F0 Q, J, J- e/ V! H1 D) R4 z/ X: A
! E9 f5 o$ A! n, \. A) L, q
function f = ObjFunc7Fmincon(k,x0,yexp)) d% u3 X4 F7 l% _, O3 D3 c
tspan = [0 15 30 45 60 90 120 180 240 300 360];
9 u" m( e* e! H0 m. Q: c+ Q1 B[t x] = ode45(@KineticEqs,tspan,x0,[],k);
6 \# _9 I3 x% ay(:,2) = x(:,1);
: a2 f2 j3 M& j; }7 V2 gy(:,3:6) = x(:,2:5);+ D4 A% \0 m* {& }
f = sum((y(:,2)-yexp(:,2)).^2) + sum((y(:,3)-yexp(:,3)).^2) ...
. }! \, U4 V% n6 [, n2 O + sum((y(:,4)-yexp(:,4)).^2) + sum((y(:,5)-yexp(:,5)).^2) ...
0 |) s& z5 n' C* E) H + sum((y(:,6)-yexp(:,6)).^2) ;+ o7 E' X4 i" S( ^' i0 z+ v$ L
) D: f: A; m+ _ h; C: e8 i9 M( p* P3 g% z s/ J1 o$ G0 H0 G
7 R8 k9 X7 j( W. j2 G0 H
) W4 J, o; O7 n/ ifunction dxdt = KineticEqs(t,x,k)) s& a5 E: ?# ]+ g
dGldt = k(1)*x(2)-(k(2)+k(3)+k(8))*x(1);
* @5 \+ t# g" Z: Q0 m3 z: xdFrdt = k(2)*x(1)-(k(1)+k(4)+k(5)+k(9))*x(2);7 E- J9 g C) j
dFadt = k(3)*x(1)+k(5)*x(2)+(k(6)+k(7))*x(5);
8 I' D- C4 o: e6 F" k0 S. M$ XdLadt = k(7)*x(5);
$ L! X5 i6 a6 j/ _$ f% NdHmdt = k(4)*x(2)-(k(6)+k(7)+k(10))*x(5);
. f' q+ u3 Y, ^, s/ T( v( ddxdt = [dGldt; dFrdt; dFadt; dLadt; dHmdt];" F( `5 c2 s4 w8 j0 A3 u
" t$ F: g' ~2 H# Q8 k& \, B
9 Z6 Z2 N* `/ }: [$ ^
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Glc.zip
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