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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
% P/ k* i& y- M) t: ?, b% k1->k-1,k2->k1,k3->k2,k4->k3,k5->k47 m( z5 y( x) L8 ?! s
% k6->k6 k7->k7( c9 ^) u0 Y) R9 V
% dGlcdt = k-1*C(Fru)-(k1+k2)*C(Glc);# B3 S. U$ N5 q {" U1 `- V
% dFrudt = k1*C(Glc)-(k-1+k3+k4)C(Fru);0 H) `& l: l( u$ e1 ^" z* k, |3 H
% dFadt = k(2)*C(Glc)+k4*C(Fru)+(k6+k7)*C(Hmf);
9 D- x, C: p0 v v% dLadt = k(7)*C(Hmf);
, G# w4 L0 Z: S) e%dHmfdt = k(3)*C(Fru)-(k6+k7)*C(Hmf);
8 s9 W f' ?0 f* Tclear all
% i2 r& g+ S: i0 e3 O5 ]+ O+ N8 tclc# T# G" [; N$ `1 ?
format long
0 p$ @3 N6 L' `; Q$ d. X% t/min Glc Fru Fa La HMF/ mol/L w' n5 E& F9 g. o
Kinetics=[0 0.25 0 0 0 05 d. H- A- S3 z; N' k: t7 ?& M
15 0.2319 0.01257 0.0048 0 2.50E-04' L/ H& g0 j3 U5 `4 C$ o2 K- U4 u
30 0.19345 0.027 0.00868 0 7.00E-04 k8 b) C% p# I( B1 i
45 0.15105 0.06975 0.02473 0 0.0033# A3 d [: c, g7 Y- `- x) _
60 0.13763 0.07397 0.02615 0 0.00428
. I, Z- i8 ]0 C0 g8 ] 90 0.08115 0.07877 0.07485 0 0.01405 d8 t5 }+ F0 w+ ~: X& e
120 0.0656 0.07397 0.07885 0.00573 0.02143
1 @" x0 r* j/ ? 180 0.04488 0.0682 0.07135 0.0091 0.03623
# J3 Q3 k" J$ N7 a 240 0.03653 0.06488 0.08945 0.01828 0.05452
2 a: f0 Q; T, z- B" f 300 0.02738 0.05448 0.09098 0.0227 0.0597
( d$ j; C. m! |! E 360 0.01855 0.04125 0.09363 0.0239 0.06495];
5 D5 h4 B0 S; _4 ok0 = [0.0000000005 0.0000000005 0.0000000005 0.00000000005 0.00005 0.0134 0.00564 0.00001 0.00001 0.00001]; % 参数初值6 q2 [6 G( E* e% F* e% R; P
lb = [0 0 0 0 0 0 0 0 0 0]; % 参数下限% d2 i- _' D& r% ~. R
ub = [1 1 1 1 1 1 1 1 1 1]; % 参数上限/ S+ d0 E s: m
x0 = [0.25 0 0 0 0];& v7 Z/ B+ Q$ ~# O' f
yexp = Kinetics; % yexp: 实验数据[x1 x4 x5 x6]! ~' m; x' y! x# E+ h+ \6 L" ~
% warning off! n1 s8 J8 z; R; }5 e
% 使用函数 ()进行参数估计/ @5 q" f( E, | a. {
[k,fval,flag] = fmincon(@ObjFunc7Fmincon,k0,[],[],[],[],lb,ub,[],[],x0,yexp);, y5 |8 |5 L- @5 p! U9 q8 O R7 ~
fprintf('\n使用函数fmincon()估计得到的参数值为:\n')
- O! I# t5 e+ \fprintf('\tk1 = %.11f\n',k(1))
" f. k! F7 w: `, i; f% K4 Yfprintf('\tk2 = %.11f\n',k(2))
) O1 r& g1 U8 M$ V, Afprintf('\tk3 = %.11f\n',k(3))
4 g0 e; {+ k' ` Y4 ofprintf('\tk4 = %.11f\n',k(4)): H$ c& K! l7 N5 Y* `( W
fprintf('\tk5 = %.11f\n',k(5))9 A: b* B( k2 A* u
fprintf('\tk6 = %.11f\n',k(6))
! W4 u* k+ E% z* @9 _1 v% Cfprintf('\tk7 = %.11f\n',k(7))
% [: ]; x7 k, k# Z$ Pfprintf('\tk8 = %.11f\n',k(8)): k, C1 ^# f3 S+ g. ]! ~2 h
fprintf('\tk9 = %.11f\n',k(9)). I! c% h* ? W/ }% F% `9 n
fprintf('\tk10 = %.11f\n',k(10))
+ d( o3 y7 E+ }# ~7 \fprintf(' The sum of the squares is: %.1e\n\n',fval)
h# n. ?5 Q1 b% M) Z7 v9 Vk_fm= k;1 ?; C3 z8 {3 y& g7 {/ Z
% warning off" }4 J( _1 g$ s! M5 F4 J+ J
% 使用函数lsqnonlin()进行参数估计7 d7 b3 A8 o u
[k,resnorm,residual,exitflag,output,lambda,jacobian] = ...
) @& L% K- Q1 j. h lsqnonlin(@ObjFunc7LNL,k0,lb,ub,[],x0,yexp);
" ?4 C( _6 b) f7 G. x$ R: j7 W5 Jci = nlparci(k,residual,jacobian);. T* } u) j1 [) W) c5 ~
fprintf('\n\n使用函数lsqnonlin()估计得到的参数值为:\n')
1 P) a& C- K. s4 G# Rfprintf('\tk1 = %.11f\n',k(1))
" f, J3 D8 R0 @( V0 B2 ~# Wfprintf('\tk2 = %.11f\n',k(2))9 T- A: J& B- g: S0 V; I
fprintf('\tk3 = %.11f\n',k(3))
7 Z4 _& `4 B$ J- m8 }! y4 k2 ufprintf('\tk4 = %.11f\n',k(4))
- `6 Z% {( v1 Z, |8 U! J- B0 vfprintf('\tk5 = %.11f\n',k(5))
0 i* g. N- |" y' P) J+ qfprintf('\tk6 = %.11f\n',k(6))
3 G1 U: f/ w! Nfprintf('\tk7 = %.11f\n',k(7))
! |/ H6 C0 y- C1 g2 i' f+ lfprintf('\tk8 = %.11f\n',k(8))
) U/ F" J. X6 T% W7 ^1 Q& E- lfprintf('\tk9 = %.11f\n',k(9))" V) G: L/ j' T5 X4 K3 S
fprintf('\tk10 = %.11f\n',k(10))3 A c" ] v4 g; x* D
fprintf(' The sum of the squares is: %.1e\n\n',resnorm)# d& D( ?$ D% ]. E9 w4 ]6 u
k_ls = k;
8 M( X0 [3 l. L1 X5 g* uoutput
3 P) e2 J" s+ Rwarning off8 ?( J: l8 A' |- D3 o% k4 {
% 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
4 N" P' f# t1 Q5 L# o! Qk0 = k_fm;
7 L" B0 l: S4 p* w[k,resnorm,residual,exitflag,output,lambda,jacobian] = ...
2 g/ C1 s, J4 v7 M0 N$ m lsqnonlin(@ObjFunc7LNL,k0,lb,ub,[],x0,yexp);
0 O. Y E* F8 X; c9 }& Vci = nlparci(k,residual,jacobian);
0 H/ Y" U* Y/ v" R& {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')( t( m' k, v; g- e- C2 l
fprintf('\tk1 = %.11f\n',k(1))+ d, F/ [0 V! P2 ? W/ ~
fprintf('\tk2 = %.11f\n',k(2)) C9 @9 x) F3 g m! {) b J) q/ Z& o5 `
fprintf('\tk3 = %.11f\n',k(3))
/ W" s' M! J* l5 L9 \! L: e8 Qfprintf('\tk4 = %.11f\n',k(4))
k! H7 R* f {' t4 O% `fprintf('\tk5 = %.11f\n',k(5))# {, u, M; q+ `
fprintf('\tk6 = %.11f\n',k(6))& Q. \, M+ J1 W, b5 h6 }$ L2 n
fprintf('\tk7 = %.11f\n',k(7))8 a' p$ i6 m7 F6 ~) r* R
fprintf('\tk8 = %.11f\n',k(8))
" v. S" I: ]5 h% ?fprintf('\tk9 = %.11f\n',k(9))
6 c4 f" l7 c( P% Efprintf('\tk10 = %.11f\n',k(10))
" `( b# A5 ]9 \' O/ mfprintf(' The sum of the squares is: %.1e\n\n',resnorm)0 s1 C; T1 J0 d6 h- z
k_fmls = k;
( R9 L: K" G- R' ?output
& Q6 v8 o% ?+ y N2 Y8 W* A1 {tspan = [0 15 30 45 60 90 120 180 240 300 360];' @, S+ j% B: K5 U4 Z
[t x] = ode45(@KineticEqs,tspan,x0,[],k_fmls);
3 _( [3 y0 v; h; b& u" c5 Xfigure;
1 Z$ }( `, }0 k& {" @- bplot(t,x(:,1),t,yexp(:,2),'*');legend('Glc-pr','Glc-real')
* d( {0 d; Q" i% |0 w6 L3 g4 }3 Kfigure;plot(t,x(:,2:5));
' u* Y5 f0 l! A+ Hp=x(:,1:5)8 M, Q6 t3 x, y f9 g
hold on0 c0 F( Y( B4 u5 p: 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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~ G% v3 k4 w; Z/ ^. n. ~
- X6 y/ s0 }: B# M, S
function f = ObjFunc7LNL(k,x0,yexp)
' f" _0 Z. f5 a2 K" @7 i* S, L itspan = [0 15 30 45 60 90 120 180 240 300 360];5 N' _$ S$ k# t" I7 A* {: n# F
[t, x] = ode45(@KineticEqs,tspan,x0,[],k); % ~1 S K. K% ~$ {) {
y(:,2) = x(:,1);
6 I6 y! N7 _) q9 r$ X9 Hy(:,3:6) = x(:,2:5);& u/ W5 s% Z9 y! L5 t* @9 u
f1 = y(:,2) - yexp(:,2);
) l7 s+ J* {& a) U& ?f2 = y(:,3) - yexp(:,3);8 D9 b7 s* i& j0 k: X+ d
f3 = y(:,4) - yexp(:,4);* j& O" `2 ^4 N" H& E
f4 = y(:,5) - yexp(:,5);6 u O7 X# p9 Q) m _! H, G
f5 = y(:,6) - yexp(:,6);! H _# _* S$ k0 f: c
f = [f1; f2; f3; f4; f5];2 e7 j) U' o( A+ `" _
: }( T& B* W+ n6 Q+ G4 W: g/ `: [. P3 r$ B2 A5 V! e2 K5 S I
3 d/ j, Y5 i! l8 r: _" i( K6 U3 efunction f = ObjFunc7Fmincon(k,x0,yexp)
$ y5 |3 s( R9 X9 [: M* ^4 y: Htspan = [0 15 30 45 60 90 120 180 240 300 360];/ [1 s \3 J; u$ i* `
[t x] = ode45(@KineticEqs,tspan,x0,[],k);
/ J+ ^: V) P' iy(:,2) = x(:,1);
' G l- v# |2 Fy(:,3:6) = x(:,2:5);# M/ j9 B0 |$ i/ Z1 F
f = sum((y(:,2)-yexp(:,2)).^2) + sum((y(:,3)-yexp(:,3)).^2) ...
$ @7 P, n' H) Q1 e + sum((y(:,4)-yexp(:,4)).^2) + sum((y(:,5)-yexp(:,5)).^2) ...
% z8 [& z w( V. I5 g- x! P + sum((y(:,6)-yexp(:,6)).^2) ;) @( `5 \+ D0 ]. j- b# V8 p8 s
9 z, x+ v- }; M0 a# C! k0 e
$ ?% ?- y) a3 I8 i1 n3 l* `4 X* r+ h; P% @
, ]* J2 u! P3 e3 S: M- q# u
function dxdt = KineticEqs(t,x,k)1 k! e! h- W! O. P6 g5 x
dGldt = k(1)*x(2)-(k(2)+k(3)+k(8))*x(1);, W$ Q6 T% T# m. h, B
dFrdt = k(2)*x(1)-(k(1)+k(4)+k(5)+k(9))*x(2);
' e. G% @3 O$ wdFadt = k(3)*x(1)+k(5)*x(2)+(k(6)+k(7))*x(5);/ Y1 p' R* W1 d& h! q/ H; w
dLadt = k(7)*x(5);* g6 ?( [: `+ q
dHmdt = k(4)*x(2)-(k(6)+k(7)+k(10))*x(5);
9 W5 H% w: v" X' m( z" idxdt = [dGldt; dFrdt; dFadt; dLadt; dHmdt];
. h* b% y. t! x& b
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