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The general regression model with n observations and k explanators, the first of which is a constant unit vector whose coefficient is the regression intercept, is = + where y is an n × 1 vector of dependent variable observations, each column of the n × k matrix X is a vector of observations on one of the k explanators, is a k × 1 vector of true coefficients, and e is an n× 1 vector of the ...
It is calculated as the sum of squares of the prediction residuals for those observations. [ 1 ] [ 2 ] [ 3 ] Specifically, the PRESS statistic is an exhaustive form of cross-validation , as it tests all the possible ways that the original data can be divided into a training and a validation set.
If that sum of squares is divided by n, the number of observations, the result is the mean of the squared residuals. Since this is a biased estimate of the variance of the unobserved errors, the bias is removed by dividing the sum of the squared residuals by df = n − p − 1, instead of n , where df is the number of degrees of freedom ( n ...
= residual squared deviations aka residual sum of squares The constants ( n − 1), ( k − 1), and ( n − k ) are normally referred to as the number of degrees of freedom . Example
In ordinary least squares, the definition simplifies to: =, =, where the numerator is the residual sum of squares (RSS). When the fit is just an ordinary mean, then χ ν 2 {\displaystyle \chi _{\nu }^{2}} equals the sample variance , the squared sample standard deviation .
Using matrix notation, the sum of squared residuals is given by S ( β ) = ( y − X β ) T ( y − X β ) . {\displaystyle S(\beta )=(y-X\beta )^{T}(y-X\beta ).} Since this is a quadratic expression, the vector which gives the global minimum may be found via matrix calculus by differentiating with respect to the vector β {\displaystyle \beta ...
The sum of squares of residuals decreased from the initial value of 1.445 to 0.00784 after the fifth iteration. The plot in the figure on the right shows the curve determined by the model for the optimal parameters with the observed data.
The first term is the objective function from ordinary least squares (OLS) regression, corresponding to the residual sum of squares. The second term is a regularization term, not present in OLS, which penalizes large values. As a smooth finite dimensional problem is considered and it is possible to apply standard calculus tools.