Multi-collineartity, Variance Inflation
and Orthogonalization in Regression


Chong Ho (Alex) Yu, Ph.D., D. Phil. (2022)

The problem of too many variables

Stepwise regression

Collinearity happens to many inexperienced researchers. A common mistake is to put too many regressors into the model. As what I explained in my example of "fifty ways to improve your grade, " inevitably many of those independent variables will be too correlated. In addition, when there are too many variables in a regression model i.e. the number of parameters to be estimated is larger than the number of observations, this model is said to be lack of degree of freedom and thus over-fitting. The following cases are extreme, but you will get the idea. When there is one subject only, the regression line can be fitted in any way (left figure). When there are two observations, the regression line is a perfect fit (right figure). When things are perfect, they are indeed imperfect!

No degree of freedom One degree of freedom

One common approach to select a subset of variables from a complex model is stepwise regression. A stepwise regression is a procedure to examine the impact of each variable to the model step by step. The variable that cannot contribute much to the variance explained would be thrown out. There are several versions of stepwise regression such as forward selection, backward elimination, and stepwise. Many researchers employed these techniques to determine the order of predictors by its magnitude of influence on the outcome variable (e.g. June, 1997; Leigh, 1996).

However, the above interpretation is valid if and only if all predictors are independent (But if you write a dissertation, it doesn't matter. Follow what your committee advises). Collinear regressors or regressors with some degree of correlation would return inaccurate results. Assume that there is a Y outcome variable and four regressors X1-X4. In the left panel X1-X4 are correlated (non-orthogonal). We cannot tell which variable contributes the most of the variance explained individually. If X1 enters the model first, it seems to contribute the largest amount of variance explained. X2 seems to be less influential because its contribution to the variance explained has been overlapped by the first variable, and X3 and X4 are even worse.
Indeed, the more correlated the regressors are, the more their ranked "importance" depends on the selection order (Bring, 1996). However, we can interpret the result of step regression as an indication of the importance of independent variables if all predictors are orthogonal. In the right panel we have a "clean" model. The individual contribution to the variance explained by each variable to the model is clearly seen. Thus, we can assert that X1 and X4 are more influential to the dependent variable than X2 and X3.

Maximum R-square, RMSE, and Mallow's Cp

There are other better ways to perform variable selection such as Maximum R-square, Root Mean Square Error (RMSE), and Mallow's Cp. Max. R-square is a method of variable selection by examining the best of n-models based upon the largest variance explanied. The other two are opposite to max. R-square. RMSE is a measure of the lack of fit while Mallow's CP is the total square errors, as opposed to the best fit by max. R-square. Thus, the higher the R-square is, the better the model is. The lower the RMSQ and Cp are, the better the model is.

For the clarity of illustration, I use only three regressors: X1, X2, X3. The principle illustrated here can be well-applied to the situation of many regressors. The following output is based on a hypothetical dataset:

Variable
R-square
RMSE
Cp
One-variable models
X3

0.31

2.27

9.40

X2

0.27

2.35

10.90

X1

0.00

2.75

19.41

Two-variable models
X2X3

0.60

1.81

2.70

X1X3

0.33

2.34

11.20

X1X2

0.32

2.35

11.34

Full model
X1X2X3

0.62

1.84

4.00

At first, each regressor enters the model one by one. In all one-variable models, the best variable is X3 according to the max. R-square criterion (R2=.31). (Now we temporarily ignore RMSE and Cp). Then, all combinations of two-variable models are computed. This time the best two predictors are X2 and X3 (R2=.60). Last, all three variables are used for a full model (R2=.62). From the one-variable model to the two-variable model, the variance explained gains a substantive improvement (.60 - .31 = .29). However, from the two-variable to the full model, the gain is trivial (.62 - .60 = .02).

R-square If you cannot follow the above explanation, this figure may help you. The x-axis represents the number of variables while the y-axis represents the R-square. It clearly indicates a sharp jump from one to two. But the curve turns into flat from two to three (see the red arrow).

Now, let's examine RMSE and Cp. Interestingly enough, in terms of both RMSE and Cp, the full model is worse than the two-variable model. The RMSE of the best two-variable is 1.81 but that of the full model is 1.83 (see the red arrow in the right panel)! The Cp of the best two is 2.70 whereas that of the full model is 4.00 (see the red arrow in the following figure)! Root mean square error
Mallow's Cp Nevertheless, although the approaches of maximum R-square, Root Mean Square Error, and Mallow's Cp are different, the conclusion is the same: One is too few and three are too many. To perform a variable selection in SAS, the syntax is "PROC REG; MODEL Y=X1-X3 /SELECTION=MAXR". To plot Max. R-square, RMSQ, and Cp together, use NCSS.

Stepwise regression based on AICc

Although the result of stepwise regression depends on the order of entering predictors, JMP allows the user to select or deselect variables in any order. The process is so interactive that the analyst can easily determine whether certain variables should be kept or dropped. In addition to Mallows' CP, JMP shows Akaike's information criterion correction (AICc) to indicate the balance between fitness and simplicity of the model.

The original Akaike's information criterion (AIC) without correction, developed by Hirotsugu Akaike (1973), is in alignment with Ockham’s razor: Given all things being equal, the simplest model tends to be the best one; and simplicity is a function of the number of adjustable parameters. Thus, a smaller AIC suggests a "better" model. Specifically, AIC is a fitness index for trading off the complexity of a model against how well the model fits the data. The general form of AIC is: AIC = 2k – 2lnL where k is the number of parameters and L is the likelihood function of the estimated parameters. Increasing the number of free parameters to be estimated improves the model fitness, however, the model might be unnecessarily complex. To reach a balance between fitness and parsimony, AIC not only rewards goodness of fit, but also includes a penalty that is an increasing function of the number of estimated parameters. This penalty discourages over-fitting and complexity. Hence, the “best” model is the one with the lowest AIC value. Since AIC attempts to find the model that best explains the data with a minimum of free parameters, it is considered an approach favoring simplicity. In this sense, AIC is better than R-squared and adjusted R-squared, which always go up as additional variables enter in the model. Needless to say, this approach favors complexity. However, AIC does not necessarily change by adding variables. Rather, it varies based upon the composition of the predictors and thus it is a better indicator of the model quality (Faraway, 2005).

AICc is a further step beyond AIC in the sense that AICs imposes a greater penalty for additional parameters. The formula of AICs is:

AICc = AIC + (2K(K+1)/(n-k-1))

where n = sample size and k = the number of parameters to be estimated.

Burnham and Anderson (2002) recommend replacing AIC with AICc, especially when the sample size is small and the number of parameters is large. Actually, AICc converges to AIC as the sample size is getting larger and larger. Hence, AICc should be used regardless of sample size and the number of parameters.

Bayesian information criterion (BIC) is similar to AIC, but its penalty is heavier than that of AIC. However, some authors believe that AIC and AICc are superior to BIC for a number of reasons. First, AIC and AICc is based on the principle of information gain. Second, the Bayesian approach requires a prior input but usually it is debatable. Third, AIC is asymptotically optimal in model selection in terms of the least squared mean error, but BIC is not asymptotically optimal (Burnham & Anderson, 2004; Yang, 2005).

JMP provides the users with the options of AICc and BIC for model refinement. To start running stepwise regression with AICc or BIC, use Fit models and then choose Stepwise from Personality. These short movie clips show the first and the second steps of constructing an optimal regression model with AICc (Special thanks to Michelle Miller for her help in recording the movie clips).

Besides regression, AIC and BIC are also used in many other statistical procedures for model selection (e.g. structural equation modeling). While degree of model fitness is a continuum, the cutoff points of conventional fitness indices force researchers to make a dichotomous decision. To rectify the situation, Suzanne and Preston (2015) suggested replacing arbitrary cutoffs with Akaike Information Criterion (1973) and Bayesian Information Criterion (BIC). It is important to emphasize that unlike conventional fitness indices, there is no cutoff in AIC or BIC. Rather, the researcher explores different alternate models and then select the best fit based on the least AIC or BIC.

Partial least squares regression

There are other ways to reduce the number of variables such as factor analysis, principal component analysis and partial least squares. The philosophy behind these methods is very different from variable selection methods. In the former group of procedures "redundant" variables are not excluded. Rather they are retained and combined to form latent factors. It is believed that a construct should be an "open concept" that is triangulated by multiple indicators instead of a single measure (Salvucci, Walter, Conley, Fink, & Saba, 1997). In this sense, redundancy enhances reliability and yields a better model.

However, factor analysis and principal component analysis do not have the distinction between dependent and independent variables and thus may not be applicable to research with the purpose of regression analysis. One way to reduce the number of variables in the context of regression is to employ the partial least squares (PLS) procedure. PLS is a method for constructing predictive models when the variables are too many and highly collinear (Tobias, 1999). Besides collinearity, PLS is also robust against other data structural problems such as skew distributions and omission of regressors (Cassel, Westlund, & Hackl, 1999). It is important to note that in PLS the emphasis is on prediction rather than explaining the underlying relationships between the variables. Thus, although some program (e.g. JMP) names the variables as "factors," indeed they are a-theoretical principal components.

Like principal component analysis, the basic idea of PLS is to extract several latent factors and responses from a large number of observed variables. Therefore, the acronym PLS is also taken to mean projection to latent structure.

 


The following is an example of the SAS code for PLS: PROC PLS; MODEL; y1-y5 = x1-x100; Note that unlike an ordinary least squares regression, PLS can accept multiple dependent variables. The output shows the percent variation accounted for each extracted latent variable:
 

Number of
latent variables
Model effects
Current
Model effects
Total
DV
Current
DV
Total
1

39.35

39.35

28.70

28.70

2

29.94

69.29

25.58

54.28

3

7.93

77.22

21.86

76.14

4

6.40

83.62

6.45

82.59

5

2.07

85.69

16.96

99.54


Generalized regression

In addition to the partial least-square method, a modeler can also use generalized regression modeling (GRM) as a remedy to the threat of multicollinearity. GRM, which is available in JMP, offers four options, namely, maximum likelihood, Lasso, Ridge, and Adaptive Elastic Net, to perform variable selection. The basic idea of GRM is very simple: using penalty to avoid model complexity. Among the preceding four options, adaptive elastic net is considered the best in most situations because it combines the strength of Lasso and Ridge. The following is a typical GRM output.

Generalized output

 



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