Monday, July 18, 2011

Fitting Polynomial Models to Data

http://www.facstaff.bucknell.edu/maneval/help211/fitting.html#evaluating


Computing statistical summaries of the fit

There are any number of statistical measures of the "quality" and "appropriateness" of a model fit to a set of data. This section shows how to compute some of the more common measures (coefficient of determination, observed f-value for the fit and the observed t-values/confidence intervals for the coefficients). Note that all of these measures are less informative than the by-eye views discussed above.
For what follows, it is assumed that you have a set of x-y data pairs and that you have used polyfit to compute the coefficients for a polynomial of given order (and have stored in a vector called coeff).

The coefficient of determination (also referred to as the R2 value) for the fit indicates the percent of the variation in the data that is explained by the model. This coefficient can be computed via the commands
ypred = polyval(coeff,x); % predictions
dev = y - mean(y); % deviations - measure of spread
SST = sum(dev.^2); % total variation to be accounted for
resid = y - ypred; % residuals - measure of mismatch
SSE = sum(resid.^2); % variation NOT accounted for
Rsq = 1 - SSE/SST; % percent of error explained
The closer that Rsq is to 1, the more completely the fitted model "explains" the data.

The observed f-statistic for the fit compares the "size" of the fraction of the data variation explained by the model to the "size of the variation unexplained by the model. The basis for this comparison is the ratio of the variances for the model and the error (residuals).
f = MSR/MSE

where MSR = SSR/dfr and MSE = SSE/dfe. The statistic is computed via the following commands (which assume the commands given above for the R2 computation have been executed)

SSR = SST - SSE; % the "ANOVA identity"
dfr =
dfe = length(x) - 1 - dfr; % degrees of freedom for error
MSE = SSE/dfe; % mean-square error of residuals
MSR = SSR/dfr; % mean-square error for regression
f = MSR/MSE; % f-statistic for regression
"Large" values of this f-statistic (typically > 6 but check an F(dfr,dfe)-table to be sure) indicate that the fit is significant.

The observed t-statistics for the coefficients indicate the level of significance for any one of the coefficients. This t-statistic is defined as the ratio of the value of the coefficient to its standard error. Hence, computation of these statistics requires computation of the standard errors.
The standard errors may be obtained from an alternate use of polyfit. Specifically, if polyfit is used to provide two outputs,

[coef,S] = polyfit(x,y,n)
the second output is a structure that contains three fields (as of version 5.2, at any rate):

S.R: an n-by-n matrix from the Q-R decomposition of the matrix used in computing the fit
S.df: the degrees of freedom for the residuals
S.normr: the 2-norm of the vector of the residuals for the fit

To compute the vector of standard errors of the coefficients and the observed t-values, use the commands
R = S.R; % The "R" from A = QR
d = (R'*R)\eye(n+1); % The covariance matrix
d = diag(d)'; % ROW vector of the diagonal elements
MSE = (S.normr^2)/S.df; % variance of the residuals
se = sqrt(MSE*d); % the standard errors
t = coef./se; % observed T-values
Note that a transpose is used when the diagonal elements are extracted from the covariance matrix. If this step is omitted, there will be a mismatch of dimension in the ./ step that follows because polyfit returns a row vector while diag returns a column vector.

A coefficient is usually significant if its t-value is 2 or better. To be specific, check a t-table at a selected level of significance and S.df degrees of freedom.

The confidence intervals of the coefficients are an alternative way of expressing the accuracy of results. The idea is to specify a level of confidence (a) and then use that to compute a t-statistic that will scale the standard error of the coefficient (see the discussion of the observed t-statistics, above) to define an interval about the predicted value of any of the coefficients predicted by polyfit.
The half-width of an a-%, 2-sided confidence interval is computed according to

wj = ta,dfe sej

where ta,dfe is the t-value determined using
P(T > t; dfe) = 1 - (a/100)/2
In words, this means find a value t such that the chance of finding ofther t-values greater than this value is (100 - a)/2 %. The computation reqires either a good T-table or a root find using an expression for the cumulative T-distribution. sej is the standard error for the jth coefficient and its computation is given above.

The confidence interval is then, [cj - wj, cj + wj].

Continuing the code from above, the half-widths can be computed simply from the commmands

tval =
width = tval*se; % half widths
ci = [coeff-width ; coef+width]; % confidence intervals
The lower and upper limits of the confidence intervals are stored in a 2-row vector, ci with the lower limits in the first row and the upper limits in the second row.

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