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ÎÒ²»ÖªµÀMATLABÔõôÊäÈëÇó¶¯Á¦Ñ§º¯ÊýµÄ·½³Ì£¬³­ÁËľ³æ´óÀеÄÄÚÈÝ£¬Çë´ó¼Ò°ïÎÒ°ÑËüŪµ½ÄÜÔËÐгöÀ´£¬¶¯Á¦Ñ§²ÎÊýÄâºÏÎÊÌ⣬ÇóÖú´ó¼Ò~~~



function odes_fit
format long
clear all
clc
k0=[0 0 0 0 0 0 0 0];%²ÎÊý³õÖµ
lb=[0 0 0 0 0 0 0 0];ub=[+inf +inf +inf +inf +inf +inf +inf +inf];%lb¡¢ub:²ÎÊýÏÂÏÞºÍÉÏÏÞ
x0=[0 0 0 0 0];

data=...
    [0.5         1             1.5            2            3           4           5           6
          18.7    6.5    2.7    2.1   1.7   1.5   1.2   0.2;
          48.9    31.3   15.3   6.9   2.2   1.8   1.7   0.5;
          19.3    34.7   41.2   40.9   37.2   31.7   26.1   19.4;
          9.7    19.6    28.7   34.5   38.4   38.2   36.3   33.4;
          0.2    2.6    5.7    9.3   17.1   24.8   30.5   36.7;
];
x0=data(1,2:end);
tspan = [data(:,1)'];
yexp = [data(2:end,2) data(2:end,3) data(2:end,4) data(2:end,5) data(2:end,6) data(2:end,7) data(2:end,8)];
%ʹÓú¯Êýfmincon()½øÐвÎÊý¹À¼Æ
[k,fval,flag]=fmincon(@ObjFunc4Fmincon,k0,[],[],[],[],lb,ub,[],[],x0,yexp);
fprintf('\n\nʹÓú¯Êýlsqnonlin()¹À¼ÆµÃµ½µÄ²ÎÊýֵΪ:\n')
fprintf('\tk1 = %.9f \n',k(1))
fprintf('\tk2 = %.9f \n',k(2))
fprintf('\tk3 = %.9f \n',k(3))
fprintf('\tk4 = %.9f \n',k(4))
fprintf('\tk5 = %.9f \n',k(5))
fprintf('\tk6 = %.9f \n',k(6))
fprintf('The sum of the squares is:%.le\n\n',fval)
k_fmincon=k;
%ʹÓú¯Êýlsqnonlin()½øÐвÎÊý¹À¼Æ
[k,resnorm,residual,exitflag,output,lambda,jacobian]=...
    lsqnonlin(@ObjFunc4LNL,k0,lb,ub,[],x0,yexp);
ci=nlparci(k,residual,jacobian);
fprintf('\n\nʹÓú¯Êýlsqnonlin()¹À¼ÆµÃµ½µÄ²ÎÊýÖµ:\n'),output
%ÒÔº¯Êýfmincon()¹À¼ÆµÃµ½µÄ½á¹ûΪ³õÖµ£¬Ê¹Óú¯Êýlsqnonlin()½øÐвÎÊý¹À¼Æ
k0=k_fmincon;
[k,resnorm,residual,exitflag,output,lambda,jacobian]=lsqnonlin(@ObjFunc4LNL,k0,lb,ub,[],x0,yexp);
ci=nlparci(k,residual,jacobian);
fprintf('\n\nÒÔfmincon()µÄ½á¹ûΪ³õÖµ£¬Ê¹Óú¯Êýlsqnonlin()¹À¼ÆµÃµ½µÄ²ÎÊýÖµ:\n')
output
figure(1)

ts=0(max(tspan)-min(tspan))/100):max(tspan);
[ts, ys] = ode45(@KineticsEqs,ts,x0,[],k);
yy = [data(:,2) data(:,3) data(:,4) data(:,5) data(:,6)];
figure(1)
plot(ts,ys(:,1),'b',tspan,yy(:,1),'bo');
figure(2)
plot(ts,ys(:,2),'r',tspan,yy(:,2),'ro');
figure(3)
plot(ts,ys(:,3),'k',tspan,yy(:,3),'ko');
figure(4)
plot(ts,ys(:,4),'g',tspan,yy(:,4),'ko');
figure(5)
plot(ts,ys(:,4),'g',tspan,yy(:,4),'ko');
figure(6)
plot(ts,ys(:,6),'m',tspan,yy(:,6),'mo');
%legend('C1µÄ¼ÆËãÖµ','C1µÄʵÑéÖµ','C2µÄ¼ÆËãÖµ','C2µÄʵÑéÖµ','C3µÄ¼ÆËãÖµ','C3µÄʵÑéÖµ','C4µÄ¼ÆËãÖµ','C4µÄʵÑéÖµ','C5µÄ¼ÆËãÖµ','C5µÄʵÑéÖµ','C6µÄ¼ÆËãÖµ','Location','best');



function f = ObjFunc(k,tspan,x0,yexp)           % Ä¿±êº¯Êý
[t, Xsim] = ode45(@KineticsEqs,tspan,x0,[],k);
Xsim1=Xsim(:,1);
Xsim2=Xsim(:,2);
Xsim3=Xsim(:,3);
Xsim4=Xsim(:,4);
Xsim5=Xsim(:,5);
Xsim6=Xsim(:,6);

ysim(:,1) = Xsim1(2:end);
ysim(:,2) = Xsim2(2:end);
ysim(:,3) = Xsim3(2:end);
ysim(:,4) = Xsim4(2:end);
ysim(:,5) = Xsim5(2:end);
ysim(:,6) = Xsim6(2:end);



f = [(ysim(:,1)-yexp(:,1)) (ysim(:,2)-yexp(:,2)) (ysim(:,3)-yexp(:,3)) (ysim(:,5)-yexp(:,5)) ...
    (ysim(:,6)-yexp(:,6))];

function dCdt = KineticsEqs(t,C,k)              % ODEÄ£ÐÍ·½³Ì
C1=C(1);C2=C(2);C3=C(3);C4=C(4);C5=C(5);C6=C(6);
k1=k(1);k2=k(2);k3=k(3);k4=k(4);k5=k(5);k6=k(6);k7=k(7);
dC1dt = -k1*C1-k7*C1;
dC2dt = k1*C1-k2*C2-k5*C2;
dC3dt = k2*C2-k3*C3-k6*C3;
dC4dt = k3*C3-k4*C5;
dC5dt = k4*C5;
dC6dt = k5*C2+k6*C3+k7*C1;

dCdt = [dC1dt;dC2dt;dC3dt;dC4dt;dC5dt;dC6dt]; @beefly
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lsqnonlin º¯Êý ObjFunc4LNL ȱʧ
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2Â¥2021-01-05 21:03:26
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×ÔÖÆÄÌÀÒ

Í­³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
2Â¥: Originally posted by ¶À¹ÂÉñÓî at 2021-01-05 21:03:26
Õâ¸ö´úÂë²»ÍêÕû

lsqnonlin º¯Êý ObjFunc4LNL ȱʧ

ÄúºÃ£¬Õâ¸öÒªÔõôÐ޸İ¡£¬ÇóÖú
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3Â¥2021-01-05 21:07:08
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dingd

Ìú¸Ëľ³æ (Ö°Òµ×÷¼Ò)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
×ÔÖÆÄÌÀÒ: ½ð±Ò+20, ¡ïÓаïÖú 2021-01-05 21:39:36
¶À¹ÂÉñÓî: ½ð±Ò+5, ¹ÄÀø½»Á÷ 2021-01-06 17:08:32
²Î¿¼ÏÂ1stOptµÄ¼ÆËã½á¹û£º
Weighted Root of Mean Square Error (RMSE): 3.52215359203778
Weighted Sum of Squared Residual: 434.194807406662
Correlation Coef. (R): 0.967264353331916
R-Square: 0.935600329226609
Determination Coef. (DC): 0.698480780131114
F-Statistic: -0.866225958773538

Parameter                  Best Estimate
--------------------        -------------
k1        1.18206935637483
k2        1.23804230026633
k3        0.392064236557302
k4        0.237399839174299
k5        2.4090372987211E-18
k6        1.44475738382174E-24
k7        0.719127412563461
f Initial Value         19.2237430015159
4Â¥2021-01-05 21:34:03
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

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