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Instatistics, thecoefficient of determination, denotedR2 orr2 and pronounced "R squared", is the proportion of the variation in the dependent variable that is predictable from the independent variable(s).It is astatistic used in the context ofstatistical models whose main purpose is either theprediction of future outcomes or the testing ofhypotheses, on the basis of other related information. It provides a measure of how well observed outcomes are replicated by the model, based on the proportion of total variation of outcomes explained by the model.[1][2][3]
There are several definitions ofR2 that are only sometimes equivalent. Insimple linear regression (which includes anintercept),r2 is simply the square of the samplecorrelation coefficient (r), between the observed outcomes and the observed predictor values.[4] If additionalregressors are included,R2 is the square of thecoefficient of multiple correlation. In both such cases, the coefficient of determination normally ranges from 0 to 1.
There are cases whereR2 can yield negative values. This can arise when the predictions that are being compared to the corresponding outcomes have not been derived from a model-fitting procedure using those data. Even if a model-fitting procedure has been used,R2 may still be negative, for example when linear regression is conducted without including an intercept,[5] or when a non-linear function is used to fit the data.[6] In cases where negative values arise, the mean of the data provides a better fit to the outcomes than do the fitted function values, according to this particular criterion.
The coefficient of determination can be more intuitively informative thanMAE,MAPE,MSE, andRMSE inregression analysis evaluation, as the former can be expressed as a percentage, whereas the latter measures have arbitrary ranges. It also proved more robust for poor fits compared toSMAPE on certain test datasets.[7]
When evaluating the goodness-of-fit of simulated (Ypred) versus measured (Yobs) values, it is not appropriate to base this on theR2 of the linear regression (i.e.,Yobs=m·Ypred + b).[citation needed] TheR2 quantifies the degree of any linear correlation betweenYobs andYpred, while for the goodness-of-fit evaluation only one specific linear correlation should be taken into consideration:Yobs = 1·Ypred + 0 (i.e., the 1:1 line).[8][9]

Adata set hasn values markedy1, ...,yn (collectively known asyi or as a vectory = [y1, ...,yn]T), each associated with a fitted (or modeled, or predicted) valuef1, ...,fn (known asfi, or sometimesŷi, as a vectorf).
Define theresiduals asei =yi −fi (forming a vectore).
If is the mean of the observed data:then the variability of the data set can be measured with twosums of squares formulas:
The most general definition of the coefficient of determination is
In the best case, the modeled values exactly match the observed values, which results in andR2 = 1. A baseline model, which always predictsy, will haveR2 = 0.
In a general form,R2 can be seen to be related to the fraction of variance unexplained (FVU), since the second term compares the unexplained variance (variance of the model's errors) with the total variance (of the data):
A larger value ofR2 implies a more successful regression model.[4]: 463 SupposeR2 = 0.49. This implies that 49% of the variability of the dependent variable in the data set has been accounted for, and the remaining 51% of the variability is still unaccounted for. For regression models, the regression sum of squares, also called theexplained sum of squares, is defined as
In some cases, as insimple linear regression, thetotal sum of squares equals the sum of the two other sums of squares defined above:
SeePartitioning in the general OLS model for a derivation of this result for one case where the relation holds. When this relation does hold, the above definition ofR2 is equivalent to
wheren is the number of observations (cases) on the variables.
In this formR2 is expressed as the ratio of theexplained variance (variance of the model's predictions, which isSSreg /n) to the total variance (sample variance of the dependent variable, which isSStot /n).
This partition of the sum of squares holds for instance when the model valuesƒi have been obtained bylinear regression. A mildersufficient condition reads as follows: The model has the form
where theqi are arbitrary values that may or may not depend oni or on other free parameters (the common choiceqi = xi is just one special case), and the coefficient estimates and are obtained by minimizing the residual sum of squares.
This set of conditions is an important one and it has a number of implications for the properties of the fittedresiduals and the modelled values. In particular, under these conditions:
In linear least squaresmultiple regression (with fitted intercept and slope),R2 equals the square of thePearson correlation coefficient between the observed and modeled (predicted) data values of the dependent variable.
In alinear least squares regression with a single explanator (with fitted intercept and slope), this is also equal to the squared Pearson correlation coefficient between the dependent variable and explanatory variable.
It should not be confused with the correlation coefficient between twoexplanatory variables, defined as
where the covariance between two coefficient estimates, as well as theirstandard deviations, are obtained from thecovariance matrix of the coefficient estimates,.
Under more general modeling conditions, where the predicted values might be generated from a model different from linear least squares regression, anR2 value can be calculated as the square of thecorrelation coefficient between the original and modeled data values. In this case, the value is not directly a measure of how good the modeled values are, but rather a measure of how good a predictor might be constructed from the modeled values (by creating a revised predictor of the formα +βƒi).[citation needed] According to Everitt,[10] this usage is specifically the definition of the term "coefficient of determination": the square of the correlation between two (general) variables.
R2 is a measure of thegoodness of fit of a model.[11] In regression, theR2 coefficient of determination is a statistical measure of how well the regression predictions approximate the real data points. AnR2 of 1 indicates that the regression predictions perfectly fit the data.
Values ofR2 outside the range 0 to 1 occur when the model fits the data worse than the worst possibleleast-squares predictor (equivalent to a horizontal hyperplane at a height equal to the mean of the observed data). This occurs when a wrong model was chosen, or nonsensical constraints were applied by mistake. If equation 1 of Kvålseth[12] is used (this is the equation used most often),R2 can be less than zero. If equation 2 of Kvålseth is used,R2 can be greater than one.
In all instances whereR2 is used, the predictors are calculated by ordinary least-squares regression: that is, by minimizingSSres. In this case,R2 increases as the number of variables in the model is increased (R2 ismonotone increasing with the number of variables included—it will never decrease). This illustrates a drawback to one possible use ofR2, where one might keep adding variables (kitchen sink regression) to increase theR2 value. For example, if one is trying to predict the sales of a model of car from the car's gas mileage, price, and engine power, one can include probably irrelevant factors such as the first letter of the model's name or the height of the lead engineer designing the car because theR2 will never decrease as variables are added and will likely experience an increase due to chance alone.
This leads to the alternative approach of looking at theadjustedR2. The explanation of this statistic is almost the same asR2 but it penalizes the statistic as extra variables are included in the model. For cases other than fitting by ordinary least squares, theR2 statistic can be calculated as above and may still be a useful measure. If fitting is byweighted least squares orgeneralized least squares, alternative versions ofR2 can be calculated appropriate to those statistical frameworks, while the "raw"R2 may still be useful if it is more easily interpreted. Values forR2 can be calculated for any type of predictive model, which need not have a statistical basis.
Consider a linear model withmore than a single explanatory variable, of the form
where, for theith case, is the response variable, arep regressors, and is a mean zeroerror term. The quantities are unknown coefficients, whose values are estimated byleast squares. The coefficient of determinationR2 is a measure of the global fit of the model. Specifically,R2 is an element of [0, 1] and represents the proportion of variability inYi that may be attributed to some linear combination of the regressors (explanatory variables) inX.[13]
R2 is often interpreted as the proportion of response variation "explained" by the regressors in the model. Thus,R2 = 1 indicates that the fitted model explains all variability in, whileR2 = 0 indicates no 'linear' relationship (for straight line regression, this means that the straight line model is a constant line (slope = 0, intercept = ) between the response variable and regressors). An interior value such asR2 = 0.7 may be interpreted as follows: "Seventy percent of the variance in the response variable can be explained by the explanatory variables. The remaining thirty percent can be attributed to unknown,lurking variables or inherent variability."
A caution that applies toR2, as to other statistical descriptions ofcorrelation and association is that "correlation does not imply causation". In other words, while correlations may sometimes provide valuable clues in uncovering causal relationships among variables, a non-zero estimated correlation between two variables is not, on its own, evidence that changing the value of one variable would result in changes in the values of other variables. For example, the practice of carrying matches (or a lighter) is correlated with incidence of lung cancer, but carrying matches does not cause cancer (in the standard sense of "cause").
In case of a single regressor, fitted by least squares,R2 is the square of thePearson product-moment correlation coefficient relating the regressor and the response variable. More generally,R2 is the square of the correlation between the constructed predictor and the response variable. With more than one regressor, theR2 can be referred to as thecoefficient of multiple determination.
Inleast squares regression using typical data,R2 is at least weakly increasing with an increase in number of regressors in the model. Because increases in the number of regressors increase the value ofR2,R2 alone cannot be used as a meaningful comparison of models with very different numbers of independent variables. For a meaningful comparison between two models, anF-test can be performed on theresidual sum of squares[citation needed], similar to the F-tests inGranger causality, though this is not always appropriate[further explanation needed]. As a reminder of this, some authors denoteR2 byRq2, whereq is the number of columns inX (the number of explanators including the constant).
To demonstrate this property, first recall that the objective of least squares linear regression is
whereXi is a row vector of values of explanatory variables for casei andb is a column vector of coefficients of the respective elements ofXi.
The optimal value of the objective is weakly smaller as more explanatory variables are added and hence additional columns of (the explanatory data matrix whoseith row isXi) are added, by the fact that less constrained minimization leads to an optimal cost which is weakly smaller than more constrained minimization does. Given the previous conclusion and noting that depends only ony, the non-decreasing property ofR2 follows directly from the definition above.
The intuitive reason that using an additional explanatory variable cannot lower theR2 is this: Minimizing is equivalent to maximizingR2. When the extra variable is included, the data always have the option of giving it an estimated coefficient of zero, leaving the predicted values and theR2 unchanged. The only way that the optimization problem will give a non-zero coefficient is if doing so improves the R2.
The above gives an analytical explanation of the inflation ofR2. Next, an example based on ordinary least square from a geometric perspective is shown below.[14]

A simple case to be considered first:
This equation describes theordinary least squares regression model with one regressor. The prediction is shown as the red vector in the figure on the right. Geometrically, it is the projection of true value onto a model space in (without intercept). The residual is shown as the red line.
This equation corresponds to the ordinary least squares regression model with two regressors. The prediction is shown as the blue vector in the figure on the right. Geometrically, it is the projection of true value onto a larger model space in (without intercept). Noticeably, the values of and are not the same as in the equation for smaller model space as long as and are not zero vectors. Therefore, the equations are expected to yield different predictions (i.e., the blue vector is expected to be different from the red vector). The least squares regression criterion ensures that the residual is minimized. In the figure, the blue line representing the residual is orthogonal to the model space in, giving the minimal distance from the space.
The smaller model space is a subspace of the larger one, and thereby the residual of the smaller model is guaranteed to be larger. Comparing the red and blue lines in the figure, the blue line is orthogonal to the space, and any other line would be larger than the blue one. Considering the calculation forR2, a smaller value of will lead to a larger value ofR2, meaning that adding regressors will result in inflation ofR2.
R2 does not indicate whether:

The use of an adjustedR2 (one common notation is, pronounced "R bar squared"; another is or) is an attempt to account for the phenomenon of theR2 automatically increasing when extra explanatory variables are added to the model. There are many different ways of adjusting.[15] By far the most used one, to the point that it is typically just referred to as adjustedR, is the correction proposed byMordecai Ezekiel.[15][16][17] The adjustedR2 is defined as
where dfres is thedegrees of freedom of the estimate of the population variance around the model, and dftot is the degrees of freedom of the estimate of the population variance around the mean. dfres is given in terms of the sample sizen and the number of variablesp in the model,dfres =n −p − 1. dftot is given in the same way, but withp being zero for the mean (i.e.,dftot =n − 1).
Inserting the degrees of freedom and using the definition ofR2, it can be rewritten as:
wherep is the total number of explanatory variables in the model (excluding the intercept), andn is the sample size.
The adjustedR2 can be negative, and its value will always be less than or equal to that ofR2. UnlikeR2, the adjustedR2 increases only when the increase inR2 (due to the inclusion of a new explanatory variable) is more than one would expect to see by chance. If a set of explanatory variables with a predetermined hierarchy of importance are introduced into a regression one at a time, with the adjustedR2 computed each time, the level at which adjustedR2 reaches a maximum, and decreases afterward, would be the regression with the ideal combination of having the best fit without excess/unnecessary terms.

The adjustedR2 can be interpreted as an instance of thebias-variance tradeoff. When we consider the performance of a model, a lower error represents a better performance. When the model becomes more complex, the variance will increase whereas the square of bias will decrease, and these two metrics add up to be the total error. Combining these two trends, the bias-variance tradeoff describes a relationship between the performance of the model and its complexity, which is shown as a u-shape curve on the right. For the adjustedR2 specifically, the model complexity (i.e. number of parameters) affects theR2 and the term / frac and thereby captures their attributes in the overall performance of the model.
R2 can be interpreted as the variance of the model, which is influenced by the model complexity. A highR2 indicates a lower bias error because the model can better explain the change of Y with predictors. For this reason, we make fewer (erroneous) assumptions, and this results in a lower bias error. Meanwhile, to accommodate fewer assumptions, the model tends to be more complex. Based on bias-variance tradeoff, a higher complexity will lead to a decrease in bias and a better performance (below the optimal line). InR2, the term (1 −R2) will be lower with high complexity and resulting in a higherR2, consistently indicating a better performance.
On the other hand, the term/frac term is reversely affected by the model complexity. The term/frac will increase when adding regressors (i.e., increased model complexity) and lead to worse performance. Based on bias-variance tradeoff, a higher model complexity (beyond the optimal line) leads to increasing errors and a worse performance.
Considering the calculation ofR2, more parameters will increase theR2 and lead to an increase inR2. Nevertheless, adding more parameters will increase the term/frac and thus decreaseR2. These two trends construct a reverse u-shape relationship between model complexity andR2, which is in consistent with the u-shape trend of model complexity versus overall performance. UnlikeR2, which will always increase when model complexity increases,R2 will increase only when the bias eliminated by the added regressor is greater than the variance introduced simultaneously. UsingR2 instead ofR2 could thereby prevent overfitting.
Following the same logic, adjustedR2 can be interpreted as a less biased estimator of the populationR2, whereas the observed sampleR2 is a positively biased estimate of the population value.[18] AdjustedR2 is more appropriate when evaluating model fit (the variance in the dependent variable accounted for by the independent variables) and in comparing alternative models in thefeature selection stage of model building.[18]
The principle behind the adjustedR2 statistic can be seen by rewriting the ordinaryR2 as
where and are the sample variances of the estimated residuals and the dependent variable respectively, which can be seen as biased estimates of the population variances of the errors and of the dependent variable. These estimates are replaced by statisticallyunbiased versions: and.
Despite using unbiased estimators for the population variances of the error and the dependent variable, adjustedR2 is not an unbiased estimator of the populationR2,[18] which results by using the population variances of the errors and the dependent variable instead of estimating them.Ingram Olkin andJohn W. Pratt derived theminimum-variance unbiased estimator for the populationR2,[19] which is known as Olkin–Pratt estimator. Comparisons of different approaches for adjustingR2 concluded that in most situations either an approximate version of the Olkin–Pratt estimator[18] or the exact Olkin–Pratt estimator[20] should be preferred over (Ezekiel) adjustedR2.
The coefficient of partial determination can be defined as the proportion of variation that cannot be explained in a reduced model, but can be explained by the predictors specified in a full model.[21][22][23] This coefficient is used to provide insight into whether or not one or more additional predictors may be useful in a more fully specified regression model.
The calculation for the partialR2 is relatively straightforward after estimating two models and generating theANOVA tables for them. The calculation for the partialR2 is
which is analogous to the usual coefficient of determination:
As explained above, model selection heuristics such as the adjustedR2 criterion and theF-test examine whether the totalR2 sufficiently increases to determine if a new regressor should be added to the model. If a regressor is added to the model that is highly correlated with other regressors which have already been included, then the totalR2 will hardly increase, even if the new regressor is of relevance. As a result, the above-mentioned heuristics will ignore relevant regressors when cross-correlations are high.[24]

Alternatively, one can decompose a generalized version ofR2 to quantify the relevance of deviating from a hypothesis.[24] As Hoornweg (2018) shows, severalshrinkage estimators – such asBayesian linear regression,ridge regression, and the (adaptive)lasso – make use of this decomposition ofR2 when they gradually shrink parameters from the unrestricted OLS solutions towards the hypothesized values. Let us first define the linear regression model as
It is assumed that the matrixX is standardized with Z-scores and that the column vector is centered to have a mean of zero. Let the column vector refer to the hypothesized regression parameters and let the column vector denote the estimated parameters. We can then define
AnR2 of 75% means that the in-sample accuracy improves by 75% if the data-optimizedb solutions are used instead of the hypothesized values. In the special case that is a vector of zeros, we obtain the traditionalR2 again.
The individual effect onR2 of deviating from a hypothesis can be computed with ('R-outer'). This times matrix is given by
where. The diagonal elements of exactly add up toR2. If regressors are uncorrelated and is a vector of zeros, then the diagonal element of simply corresponds to ther2 value between and. When regressors and are correlated, might increase at the cost of a decrease in. As a result, the diagonal elements of may be smaller than 0 and, in more exceptional cases, larger than 1. To deal with such uncertainties, several shrinkage estimators implicitly take a weighted average of the diagonal elements of to quantify the relevance of deviating from a hypothesized value.[24] Click on thelasso for an example.
In the case oflogistic regression, usually fit bymaximum likelihood, there are several choices ofpseudo-R2.
One is the generalizedR2 originally proposed by Cox & Snell,[25] and independently by Magee:[26]
where is the likelihood of the model with only the intercept, is the likelihood of the estimated model (i.e., the model with a given set of parameter estimates) andn is the sample size. It is easily rewritten to:
whereD is the test statistic of thelikelihood ratio test.
Nico Nagelkerke noted that it had the following properties:[27][22]
However, in the case of a logistic model, where cannot be greater than 1,R2 is between 0 and: thus, Nagelkerke suggested the possibility to define a scaledR2 asR2/R2max.[22]
Occasionally, residual statistics are used for indicating goodness of fit. Thenorm of residuals is calculated as the square-root of thesum of squares of residuals (SSR):
Similarly, thereduced chi-square is calculated as the SSR divided by the degrees of freedom.
BothR2 and the norm of residuals have their relative merits. Forleast squares analysisR2 varies between 0 and 1, with larger numbers indicating better fits and 1 representing a perfect fit. The norm of residuals varies from 0 to infinity with smaller numbers indicating better fits and zero indicating a perfect fit. One advantage and disadvantage ofR2 is the term acts tonormalize the value. If theyi values are all multiplied by a constant, the norm of residuals will also change by that constant butR2 will stay the same. As a basic example, for the linear least squares fit to the set of data:
| x | 1 | 2 | 3 | 4 | 5 |
|---|---|---|---|---|---|
| y | 1.9 | 3.7 | 5.8 | 8.0 | 9.6 |
R2 = 0.998, and norm of residuals = 0.302.If all values ofy are multiplied by 1000 (for example, in anSI prefix change), thenR2 remains the same, but norm of residuals = 302.
Another single-parameter indicator of fit is theRMSE of the residuals, or standard deviation of the residuals. This would have a value of 0.135 for the above example given that the fit was linear with an unforced intercept.[28]
The creation of the coefficient of determination has been attributed to the geneticistSewall Wright and was first published in 1921.[29]