Least Squares Fitting - IPB University

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12/22/2015Least Squares FittingLeast Square Fitting A mathematical procedure for finding the best-fittingcurve to a given set of points by minimizing the sum ofthe squares of the offsets ("the residuals") of thepoints from the curve. The sum of the squares of the offsets is used instead ofthe offset absolute values because this allows theresiduals to be treated as a continuous differentiablequantity. However, because squares of the offsets are used,outlying points can have a disproportionate effect onthe fit, a property which may or may not be desirabledepending on the problem at hand.1

12/22/2015datapointsof a setofLeast Squares Method(1)Vertical least squares fitting proceeds by finding the sum of thesquares of the vertical deviations R2 of a set of n data points2

12/22/2015Least Squares MethodThe square deviations from each point are therefore summed, and the resultingresidual is then minimized to find the best fit line.The condition for R2 to be minimum is thatFor a linear fitsoandfor i 1.nandThese lead to the equationsIn matrix forms:Least Squares MethodThe 2x2 matrix inverse is3

12/22/2015Least Squares MethodThe previous formulas can be rewritten in a simpler form by defining the sums of squares: Variances: CovarianceThe overall quality of the fit is then parameterized in terms of a quantity known as thecorrelation coefficient, defined byThe Meaning of correlation coefficient 0 indicates no linear relationship. 1 indicates a perfect positive linear relationship: as one variable increases inits values, the other variable also increases in its values via an exact linear rule.-1 indicates a perfect negative linear relationship: as one variable increases inits values, the other variable decreases in its values via an exact linear rule.Values between 0 and 0.3 (0 and -0.3) indicate a weak positive (negative) linearrelationship via a shaky linear rule.Values between 0.3 and 0.7 (0.3 and -0.7) indicate a moderate positive(negative) linear relationship via a fuzzy-firm linear rule.Values between 0.7 and 1.0 (-0.7 and -1.0) indicate a strong positive (negative)linear relationship via a firm linear rule.The value of r squared is typically taken as “the percent of variation in onevariable explained by the other variable,” or “the percent of variation sharedbetween the two variables.”Linearity Assumption. The correlation coefficient requires that the underlyingrelationship between the two variables under consideration is linear. If therelationship is known to be linear, or the observed pattern between the twovariables appears to be linear, then the correlation coefficient provides areliable measure of the strength of the linear relationship. If the relationship isknown to be nonlinear, or the observed pattern appears to be nonlinear, thenthe correlation coefficient is not useful, or at least questionable.4

12/22/2015Non-Linear Least SquareNon-Linear Least Square5

12/22/2015Geometric Interpretation & Convergence Criteria6

Least Squares Fitting Least Square Fitting A mathematical procedure for finding the best-fitting curve to a given set of points by minimizing the sum of the squares of the offsets ("the residuals") of the points from the curve. The sum of the squares of the offsets is used instead of the offset absolute values because this allows the

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