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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! G; P3 {1 Z' u+ O& |: l6 V
% k1->k-1,k2->k1,k3->k2,k4->k3,k5->k4/ b. m2 a/ Y0 b- J
% k6->k6 k7->k7
( ~) d" L0 z$ n% dGlcdt = k-1*C(Fru)-(k1+k2)*C(Glc);/ Z7 A1 x" ^" E! D$ D
% dFrudt = k1*C(Glc)-(k-1+k3+k4)C(Fru);; q+ d9 e2 N/ e( g8 S# D4 h
% dFadt = k(2)*C(Glc)+k4*C(Fru)+(k6+k7)*C(Hmf);
5 ]/ T2 n. J4 a+ ]% y% dLadt = k(7)*C(Hmf);" \0 O$ L8 W/ B, q
%dHmfdt = k(3)*C(Fru)-(k6+k7)*C(Hmf);- Y9 L9 v8 F0 c; Z0 q6 m7 y
clear all7 F% D$ U5 ^. A
clc
l7 t3 f% w" A9 P- Pformat long
% h- W7 D6 D# c7 ]! N3 n1 Q% t/min Glc Fru Fa La HMF/ mol/L
7 q9 z1 W, R, K8 ?* ~8 e3 K' K Kinetics=[0 0.25 0 0 0 0. e1 u+ S* N! a+ v' A U; v
15 0.2319 0.01257 0.0048 0 2.50E-049 [& t) a9 L) a, V9 f" V0 k
30 0.19345 0.027 0.00868 0 7.00E-043 n: I4 J% r8 ]) \1 Q4 |: |/ D
45 0.15105 0.06975 0.02473 0 0.0033$ v9 i, P: \% S* v, i0 g
60 0.13763 0.07397 0.02615 0 0.00428
. [- h0 K# g( `: F( d7 ] 90 0.08115 0.07877 0.07485 0 0.01405' M( [3 e4 y3 s+ M+ u. y; J" ?
120 0.0656 0.07397 0.07885 0.00573 0.02143/ d+ ~9 W% p6 |7 v1 Q {% K! u
180 0.04488 0.0682 0.07135 0.0091 0.03623
|/ _ K1 K9 W 240 0.03653 0.06488 0.08945 0.01828 0.05452
8 ~7 k/ [1 m# |4 @' o& Y 300 0.02738 0.05448 0.09098 0.0227 0.0597! L5 n# x9 E5 \
360 0.01855 0.04125 0.09363 0.0239 0.06495];
# d- d. q) i8 S7 L) a0 s+ uk0 = [0.0000000005 0.0000000005 0.0000000005 0.00000000005 0.00005 0.0134 0.00564 0.00001 0.00001 0.00001]; % 参数初值) @' {, a) l& n6 z
lb = [0 0 0 0 0 0 0 0 0 0]; % 参数下限
+ c ?5 a0 d; j; ?( iub = [1 1 1 1 1 1 1 1 1 1]; % 参数上限
: o; t% ]0 v f$ G. {( ]; Bx0 = [0.25 0 0 0 0];/ c1 R# n# U# S* m; [
yexp = Kinetics; % yexp: 实验数据[x1 x4 x5 x6]
/ e+ C3 ?# _2 w. {* _; w; n% warning off3 r7 I- K( M8 J; f
% 使用函数 ()进行参数估计
6 `/ x1 S) V! `- X2 A% ]6 \+ Z! ^+ u[k,fval,flag] = fmincon(@ObjFunc7Fmincon,k0,[],[],[],[],lb,ub,[],[],x0,yexp);: W0 Z, I* N; t' A. R
fprintf('\n使用函数fmincon()估计得到的参数值为:\n')- ~. L9 R6 \/ ?8 g" i* j4 R
fprintf('\tk1 = %.11f\n',k(1))
9 v! {2 T3 @; ^" a; Jfprintf('\tk2 = %.11f\n',k(2))% ?2 N4 m5 j' j: Z$ e* |- A
fprintf('\tk3 = %.11f\n',k(3))
- J w2 g. D3 _1 efprintf('\tk4 = %.11f\n',k(4))
4 w4 b$ w9 a) zfprintf('\tk5 = %.11f\n',k(5))0 n0 j# A$ U+ K$ ?4 W
fprintf('\tk6 = %.11f\n',k(6))
, Q# P+ G4 E1 |& `8 Vfprintf('\tk7 = %.11f\n',k(7)) V; g9 l: L4 l$ `7 e( Q
fprintf('\tk8 = %.11f\n',k(8))
$ n. G2 `* q) b. yfprintf('\tk9 = %.11f\n',k(9))7 ^, e @7 g, x9 S
fprintf('\tk10 = %.11f\n',k(10))
j. Y+ f: k% y5 h# L: Rfprintf(' The sum of the squares is: %.1e\n\n',fval)+ @2 c- |# Z/ q( g( ~ i% E0 y
k_fm= k;9 `3 o/ M. A1 C$ H. e
% warning off2 L, Q9 U; f8 r3 R' e* B
% 使用函数lsqnonlin()进行参数估计
- j1 C( q) E& P. p ?[k,resnorm,residual,exitflag,output,lambda,jacobian] = .../ W0 ?2 {0 A! t+ I; z* b6 v* V7 n
lsqnonlin(@ObjFunc7LNL,k0,lb,ub,[],x0,yexp); - A- Z: h1 m0 H' D/ F! `. o) a
ci = nlparci(k,residual,jacobian);
/ M- P" O. f6 O& Ofprintf('\n\n使用函数lsqnonlin()估计得到的参数值为:\n') V8 H# F7 [* _4 G9 r
fprintf('\tk1 = %.11f\n',k(1)), R8 I* b1 l# C! w
fprintf('\tk2 = %.11f\n',k(2))
- R) z9 _7 q" t: H- Ifprintf('\tk3 = %.11f\n',k(3))- t( H4 B0 j: H, a
fprintf('\tk4 = %.11f\n',k(4))4 g$ }/ Y, O. z" D! F$ w7 Z! C, K
fprintf('\tk5 = %.11f\n',k(5))
9 |9 c9 N; X. A1 k$ ]fprintf('\tk6 = %.11f\n',k(6)); C' `7 l3 b/ I8 A
fprintf('\tk7 = %.11f\n',k(7))
8 [" b- N& d# }0 ]' N1 | A1 @fprintf('\tk8 = %.11f\n',k(8))
8 {) `1 \( B* \8 ^5 hfprintf('\tk9 = %.11f\n',k(9))
& A9 }8 D2 i/ W/ Ufprintf('\tk10 = %.11f\n',k(10))! i& u' A6 D8 `. p# Q# D
fprintf(' The sum of the squares is: %.1e\n\n',resnorm)
7 ^& O6 s7 s% X& H* S6 Tk_ls = k;: v5 F( N! _/ J- o
output
/ y. x7 w0 R" H8 cwarning off: W; J9 ]$ b! r/ j8 p
% 以函数fmincon()估计得到的结果为初值,使用函数lsqnonlin()进行参数估计 A, k3 Y7 O1 S' Y
k0 = k_fm;5 z2 o0 |. J( h
[k,resnorm,residual,exitflag,output,lambda,jacobian] = ...$ z0 N* B# v* Q
lsqnonlin(@ObjFunc7LNL,k0,lb,ub,[],x0,yexp);
! \3 K3 w/ K8 R8 K" Bci = nlparci(k,residual,jacobian);
2 m% b8 |7 S5 j {2 n- `% F3 n+ kfprintf('\n\n以fmincon()的结果为初值,使用函数lsqnonlin()估计得到的参数值为:\n')
3 {- Q7 G" {% ^fprintf('\tk1 = %.11f\n',k(1))/ \' t; q0 n/ \' t; v
fprintf('\tk2 = %.11f\n',k(2))
/ ~ \! |4 R H: j6 s0 `# ]fprintf('\tk3 = %.11f\n',k(3))
$ X+ {- Q9 u9 _( h' }8 t" Mfprintf('\tk4 = %.11f\n',k(4))# k' w8 @9 t) {- J/ j
fprintf('\tk5 = %.11f\n',k(5))3 J* x3 x$ ^2 k) o6 Y! e' e
fprintf('\tk6 = %.11f\n',k(6))5 F& k6 W& ]. \0 B
fprintf('\tk7 = %.11f\n',k(7))- E- e; t3 r; Y! ^( ?
fprintf('\tk8 = %.11f\n',k(8))+ e5 l) @4 B4 R4 O" U
fprintf('\tk9 = %.11f\n',k(9))4 O" S* z) @& j
fprintf('\tk10 = %.11f\n',k(10))
# N5 O3 S% r' ]0 a+ H6 r5 b. Rfprintf(' The sum of the squares is: %.1e\n\n',resnorm)
% g4 M D& F" Ok_fmls = k;
' p% p: b! c6 a) H `( B3 b6 P# [0 N5 |5 doutput+ J% e5 |! Y. R. l* o" v8 m
tspan = [0 15 30 45 60 90 120 180 240 300 360];; G7 d# y0 z/ H
[t x] = ode45(@KineticEqs,tspan,x0,[],k_fmls); 9 j+ \) i4 A7 N
figure;
5 b u' [" {2 z( W' cplot(t,x(:,1),t,yexp(:,2),'*');legend('Glc-pr','Glc-real'): i" Q9 i3 i/ X9 j: f
figure;plot(t,x(:,2:5));
" n( a6 x/ C" I& J# pp=x(:,1:5)
$ X! k7 N# Z" [5 W& N8 ~$ s) qhold on- T3 R* T8 @7 H
plot(t,yexp(:,3:6),'o');legend('Fru-pr','Fa-pr','La-pr','HMF-pr','Fru-real','Fa-real','La-real','HMF-real')
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# o1 Z2 ?+ B2 c; Z& f2 N3 }0 b4 V4 Q
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function f = ObjFunc7LNL(k,x0,yexp)
1 P; S; l9 D. m9 F2 t' S1 s& r G% Y: Ktspan = [0 15 30 45 60 90 120 180 240 300 360];
# N8 h& s# H; i$ q[t, x] = ode45(@KineticEqs,tspan,x0,[],k);
" N) }" l3 s; ?' W0 i! u# Ry(:,2) = x(:,1);
, ~9 y/ l& I3 t0 }y(:,3:6) = x(:,2:5);
, ]+ z0 d$ M6 M5 k Qf1 = y(:,2) - yexp(:,2);
) p8 }0 U& V$ N& J- Bf2 = y(:,3) - yexp(:,3);
/ t! R6 ]3 \3 J2 S# g1 Uf3 = y(:,4) - yexp(:,4);
7 b$ E4 j+ ^* q( [8 W) z" K8 Z7 pf4 = y(:,5) - yexp(:,5);$ O- d3 L; ?' D* F2 k
f5 = y(:,6) - yexp(:,6);
) i, p6 Y( ~% s/ Wf = [f1; f2; f3; f4; f5];
& L9 _( Z% z5 ]7 l
. W; u) a" Y! a4 _( d7 d" k; n# Q8 g [+ b
" ]. F$ N$ c# W; y& C! E0 u U
function f = ObjFunc7Fmincon(k,x0,yexp)
# ?- q& t& Z" D [tspan = [0 15 30 45 60 90 120 180 240 300 360];
+ O2 J4 v* w+ m/ Z* J$ f9 c" g' K[t x] = ode45(@KineticEqs,tspan,x0,[],k); ' h5 `) F/ V d! w& `3 L2 N
y(:,2) = x(:,1);
7 }/ G9 e6 O* T3 v# C Ay(:,3:6) = x(:,2:5);8 h# W# P7 e5 e, ^
f = sum((y(:,2)-yexp(:,2)).^2) + sum((y(:,3)-yexp(:,3)).^2) ...
; ?3 t+ p+ i { + sum((y(:,4)-yexp(:,4)).^2) + sum((y(:,5)-yexp(:,5)).^2) ...# a5 Z, K; S& N. M7 { o
+ sum((y(:,6)-yexp(:,6)).^2) ;
3 ^% i: F4 B$ W5 i" S1 F) Y- t% f6 u; j3 R
- @. q( D4 {' f. T, W/ m1 L
9 w0 t, v5 P; q' d5 n8 V3 I: a& o3 R3 b
function dxdt = KineticEqs(t,x,k)# s) K5 q4 }# I. f8 c- |8 K- M- p
dGldt = k(1)*x(2)-(k(2)+k(3)+k(8))*x(1);
" v! c! J, a4 M% T- Z- ~dFrdt = k(2)*x(1)-(k(1)+k(4)+k(5)+k(9))*x(2);6 f i& s/ \& i D8 \
dFadt = k(3)*x(1)+k(5)*x(2)+(k(6)+k(7))*x(5);
' O, R% i: ?% p; u5 y* x, DdLadt = k(7)*x(5);
0 F( a4 r- ^: D5 V0 y. p; p" z3 kdHmdt = k(4)*x(2)-(k(6)+k(7)+k(10))*x(5);
1 T; C6 H5 }0 D% p+ r( `" _# X1 Ldxdt = [dGldt; dFrdt; dFadt; dLadt; dHmdt];; w7 l7 @) v- o! Q4 E
" s: F( e" c, g# [' q$ L7 x
4 [! T; D0 F" k3 j8 U8 E! T( p |
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