ECH 3128 Topic 6 Curve Fitting 1

Curve Fitting 1
Curve Fitting
• Describes techniques to fit curves (curve fitting) to discrete

data to obtain intermediate estimates.
• There are two general approaches two curve fitting:

– Data exhibit a significant degree of scatter. The strategy is to derive a
single curve that represents the general trend of the data.
– Data is very precise. The strategy is to pass a curve or a series of curves
through each of the points.
• In engineering two types of applications are encountered:

– Trend analysis. Predicting values of dependent variable, may include
extrapolation beyond data points or interpolation between data points.
– Hypothesis testing. Comparing existing mathematical model with
measured data.
Curve Fitting
a) Regression
Linear Regression, Polynomial Regression,
Multilinear Regression, Nonlinear Regression
b) Linear Interpolation
c) Polynomial Interpolation
Linear Regression
• Fitting a straight line to a set of paired

observations: (x1, y1), (x2, y2),…,(xn, yn).
y=a0+a1x+e
a1- slope
a0- intercept
e- error, or residual, between the model and the
observations
Linear Regression
Criteria for a “Best” Fit/
• Minimize the sum of the residual errors for all
available data:
n n
∑e = ∑(y
i =1
i
i =1
i − ao − a1 xi )
n = total number of points

• However, this is an inadequate criterion, so is the sum
of the absolute values
n n
∑e =∑ y
i =1
i
i =1
i − a0 − a1 xi
Linear Regression
• Best strategy is to minimize the sum of the squares of
the residuals between the measured y and the y
calculated with the linear model:
n n n
S r = ∑ e = ∑ ( yi , measured − yi , model) = ∑ ( yi − a0 − a1 xi ) 2
2
i
2
i =1 i =1 i =1
• Yields a unique line for a given set of data.

Linear Regression
∂S r
= −2∑ ( yi − ao − a1 xi ) = 0
∂ao
∂S r
= −2∑ [( yi − ao − a1 xi ) xi ] = 0
∂a1
Linear Algebraic Equation methods
0 = ∑ yi − ∑ a 0 − ∑ a1 xi  n

∑ x  a  =  ∑ y 
i 0 i
0 = ∑ yi xi − ∑ a 0 xi − ∑ a x a 
 ∑ xi ∑    ∑ x y 
2 2
1 i x i 1 i i
∑a 0 = na0 Normal equations, can be

na0 + (∑ xi )a1 = ∑ yi solved simultaneously
n∑ xi yi − ∑ xi ∑ yi
a1 =
n∑ x − (∑ xi )
2 2
i Mean values
a0 = y − a1 x
Linear Regression
“Goodness” of our fit/
If
• Total sum of the squares around the mean for the
dependent variable, y, is St
• Sum of the squares of residuals around the regression
line is Sr
• St-Sr quantifies the improvement or error reduction
due to describing data in terms of a straight line rather
than as an average value.
2 St − S r
r = r2-coefficient of determination
St
Sqrt(r2) – correlation coefficient
Linear Regression
• For a perfect fit
Sr=0 and r=r2=1, signifying that the line
explains 100 percent of the variability of the
data.
• For r=r2=0, Sr=St, the fit represents no
improvement.
Linearize a Nonlinear Relationship
Example – Falling film Absorption

Sh = a Re m
You want to find a and m??
ln ( Sh ) m ln ( Re ) + ln ( a )
=
y
= m x + c
Linearize a Nonlinear Relationship
Polynomial Regression
• Similar to linear regression, we can do the

same thing for polynomial regression
2
y = a0 + a1 x + a2 x + ... + an x + e n
Example – second order

2
y =a0 + a1 x + a2 x + e
n
∑( y − (a ))
2
2
S r= 0 + a1 x + a2 x
i =1
Polynomial Regression
• Differentiate with respect to the coefficients

and equate to zero.
∂S r ∂S r ∂S r
= 0,= 0,= 0
∂a0 ∂a1 ∂a2
 n

∑ xi ∑ i   a0   ∑ yi 
x 2
3  =
 ∑ xi ∑i ∑ i   1   ∑ xi yi 
2
x x a
 ∑ xi2 ∑i
x 3
∑ i   2  ∑ i yi 
x 4
 a   x 2

2
Best Fit: r
Multilinear Regression
• Similar to linear regression, we can do the

same thing for multilinear regression
y = a0 + a1 x1 + a2 x2 + ... + an xn + e
Example – two independent variables
y =a0 + a1 x1 + a2 x2 + e
n
∑( y − (a + a1 x1 + a2 x2 ) )
2
S r= 0
i =1
Multilinear Regression
• Differentiate with respect to the coefficients

and equate to zero.
∂S r ∂S r ∂S r
= 0,= 0,= 0
∂a0 ∂a1 ∂a2
 n

∑x 1,i ∑x 2,i   a0   ∑ yi 
   
 ∑ x1,i ∑x ∑x x1,i 2,i   a1  =  ∑ x1,i yi 
2
1,i
 ∑ x2,i ∑x x ∑x
 2
    ∑ x2,i yi 
2,i   a2 
1,i 2,i  
2
Best Fit: r
General Linear Square Method
Let say,
y= a0 z0 + a1 z1 + a2 z2 + ... + am zm + e
Linear Polynomial
z0 = 1 z0 = 1
z1 = x1 z1 = x
z2 = x2 z2 = x 2
 
zm = xm zm = x m
General Linear Square Method
[Y ]
= [ Z ][ A] + [ E ]
 z01 z11  zm1 
z 
[ ] 
Z =  02 

n – number of Data
 
 z0 n 
m – number of independent variable/order
If we reduce the residual to zero [E] ≈ 0

[ Z ][ A] = [Y ]
[ ] [ ][ ] [ ] [Y ]
T T
Z Z A = Z
Nonlinear Regression
• As we seen before, if the model is a

polynomial, we can use polynomial regression.
• If the model can be linearized by rearranging
the model, we can use linear regression.
• If cannot linearized by rearranging, we can
linearize the model by using Taylor Series
Expansion. This method requires iteration.
=y f ( x) + e
n
∑ ( y − f ( x ))
2
Sr
=
i =1
Example:
( x ) a0 (1 − e
f= a1 x
)
Taylor Series Expansion
∂f ( xi ) j ∂f ( xi ) j
f ( xi ) j +1 = f ( xi ) j + ∆a0 + ∆a1
∂a0 ∂a1 i – Data number
j – iteration number
∆a=
0 a0, j +1 − a0, j , ∆a=
1 a1, j +1 − a1, j
Insert the Taylor series into the equation
=y f ( x) + e
∂f ( xi ) j ∂f ( xi ) j
yi , j = f ( xi ) j + ∆a0 + ∆a1 + e
∂a0 ∂a1
∂f ( xi ) j ∂f ( xi ) j
∆a0 + ∆a1 + e= yi , j − f ( xi ) j
∂a0 ∂a1
 ∂f ( x1 )1 ∂f ( x1 )1 
Change to a  
 ∂a0 ∂a1   e1,1   y1,1 − f ( x1 )1 
matrix form:     ∆a0      

  =  
   +
   ∆a1     
 ∂f ( x )     
 n 1 ∂f ( xn )1

e y
 n ,1   n ,1 − f ( x )
n 1
 ∂a0 ∂a1 
[ Df ][ ∆A] + [ E ] =
[Y ]
If we reduce the residual to zero [E] ≈ 0
[ Df ][ ∆A] =
[Y ]
[ ] [ ][ ] [ ] [Y ]
T T
Df Df ∆ A =Df
We can the determine the subsequence Δa’s

ak , j +1 − ak , j With stopping criteria:
=ea k ×100%
ak , j +1 ea k < es
For all a’s

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Curve Fitting 1

• Describes techniques to fit curves (curve fitting) to discrete

• There are two general approaches two curve fitting:

• In engineering two types of applications are encountered:

• Fitting a straight line to a set of paired

n = total number of points

• Yields a unique line for a given set of data.

∑a 0 = na0 Normal equations, can be

Example – Falling film Absorption

• Similar to linear regression, we can do the

Example – second order

• Differentiate with respect to the coefficients

• Similar to linear regression, we can do the

• Differentiate with respect to the coefficients

If we reduce the residual to zero [E] ≈ 0

• As we seen before, if the model is a

We can the determine the subsequence Δa’s

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