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A small RSS indicates a tight fit of the model to the data. It is used as an optimality criterion in parameter selection and model selection. In general, total sum of squares = explained sum of squares + residual sum of squares. For a proof of this in the multivariate ordinary least squares (OLS) case, see partitioning in the general OLS model.
In statistics, a sum of squares due to lack of fit, or more tersely a lack-of-fit sum of squares, is one of the components of a partition of the sum of squares of residuals in an analysis of variance, used in the numerator in an F-test of the null hypothesis that says that a proposed model fits well.
Instead of fitting only one model on all data, leave-one-out cross-validation is used to fit N models (on N observations) where for each model one data point is left out from the training set. The out-of-sample predicted value is calculated for the omitted observation in each case, and the PRESS statistic is calculated as the sum of the squares ...
The MSE either assesses the quality of a predictor (i.e., a function mapping arbitrary inputs to a sample of values of some random variable), or of an estimator (i.e., a mathematical function mapping a sample of data to an estimate of a parameter of the population from which the data is sampled).
Sum of squares of residuals (SSR) is the sum of the squares of the deviations of the actual values from the predicted values, within the sample used for estimation. This is the basis for the least squares estimate, where the regression coefficients are chosen such that the SSR is minimal (i.e. its derivative is zero).
In the statistical learning theory framework, an algorithm is a strategy for choosing a function: given a training set = {(,), …, (,)} of inputs and their labels (the labels are usually ). Regularization strategies avoid overfitting by choosing a function that fits the data, but is not too complex.
In general, the risk () cannot be computed because the distribution (,) is unknown to the learning algorithm. However, given a sample of iid training data points, we can compute an estimate, called the empirical risk, by computing the average of the loss function over the training set; more formally, computing the expectation with respect to the empirical measure:
In this example, the Gauss–Newton algorithm will be used to fit a model to some data by minimizing the sum of squares of errors between the data and model's predictions. In a biology experiment studying the relation between substrate concentration [S] and reaction rate in an enzyme-mediated reaction, the data in the following table were obtained.