The puspose of this note is to make a connection between R functions and the mathematical notation of linear and (non)linear mixed models. One goal is to produce a table that maps R functions with notation for these models.

This document is a work in progress.

A linear model can be expressed as

\[ y = X \beta + \epsilon \]

Typically, we assume that the errors are normally distributed, independent and they have constant variance.

\[ \epsilon \sim N(0, \sigma^2) \]

Note: The covariance of the errors \(Cov(\mathbf{\epsilon})\) where \(\mathbf{\epsilon}\) is an \(n \times 1\) vector is \(\sigma^2 \mathbf{I}_n\).

In R we can fit the following model

In order to extract the estimate for \(\beta\), this is \(\hat{\beta}\), we can use the function *coef*. In order to extract the estiamte for \(\sigma\) (again, strictly \(\hat{\sigma}\)), we can use the function *sigma*. In order to extract the covariance of \(\hat{\beta}\), this is \(Cov(\hat{\beta})\), we can use the function *vcov*.

The covariance for \(\hat{\beta}\) is defined as

\[ Cov(\hat{\beta}) = \hat{\sigma}^2 (\mathbf{X'X})^{-1} \]

Obtaining this matrix is important for simulation as it provides information on the variances for the parameters in the model as well as the covariances.

```
## (Intercept) x
## 0.9420425 1.9452792
```

`## [1] 0.571054`

```
## (Intercept) x
## (Intercept) 0.0163512757 -0.0006863201
## x -0.0006863201 0.0102077667
```

There are other functions in R which are also useful. The function *fitted* extracts the fitted values or \(\hat{y} = \mathbf{X}\hat{\beta}\), *model.matrix* extracts \(\mathbf{X}\) and *residuals* extracts \(\hat{e}\) (or *resid*).

In addition, in the nlraa package I have the function ‘var_cov’ which extracts the complete variance of the residuals. In this case it is a simple diagonal matrix multiplied by \(\hat{\sigma}^2\).

```
## Extract the variance covariance of the residuals (which is also of the response)
lm.vc <- var_cov(fit)
## Print just the first 5 observations
round(lm.vc[1:5,1:5],2)
```

```
## [,1] [,2] [,3] [,4] [,5]
## [1,] 0.33 0.00 0.00 0.00 0.00
## [2,] 0.00 0.33 0.00 0.00 0.00
## [3,] 0.00 0.00 0.33 0.00 0.00
## [4,] 0.00 0.00 0.00 0.33 0.00
## [5,] 0.00 0.00 0.00 0.00 0.33
```

```
## Visualize the matrix. This is a 20 x 20 matrix.
## It is easier to visualize in the log-scale
## Note: log(0) becomes -Inf, but not shown here
image(log(lm.vc[,ncol(lm.vc):1]))
```

In the previous image, each orange square represents the estimate of the residual variance (\(\sigma^2\)) and there are 20 squares because there are 20 observations.

It might seem silly for a model such as this one to extract a matrix which is simlpy a diagonal identity matrix multiplied by the scalar \(\hat{\sigma}^2\), but this will become more clear as we move into more complex models.

So far,

r.function | beta | cov.beta | sigma | X | y.hat | e | cov.e |
---|---|---|---|---|---|---|---|

lm | coef | vcov | sigma | model.matrix | fitted | residuals | var_cov |

Note: The models that can be fitted using *gls* should not be confused with the ones fitted using *glm*, which are generalized linear models.

The function *gls* in the *nlme* package fits linear models, but in which the covariance matrix of the residuals (also called errors) is more flexible.

The model is still

\[ y = X \beta + \epsilon \]

But now the errors have a more flexible covariance structure.

\[ \epsilon \sim N(0, \Sigma) \]

How do we extract \(\Sigma\) from a fitted model?

We will again use the function *var_cov* (there is a function in nlme called *getVarCov*, but there are many cases which it does not handle).

For the next example I will use the ChickWeight dataset.

```
## ChickWeight example
data(ChickWeight)
ggplot(data = ChickWeight, aes(Time, weight)) + geom_point()
```

Clearly, the variance increases as the weight increases and it would be a good approach to consider this in the modeling process. The code below fits the variance of the residuals (or the response) as a function of the fitted values. We could choose and evaluate different variance functions and determine which one is better, but for the purpose of illustrating the connection between R functions and mathematical notation this is enough.

```
## One possible model is
fit.gls <- gls(weight ~ Time, data = ChickWeight,
weights = varPower())
fit.gls.vc <- var_cov(fit.gls)
## Note: the function getVarCov fails for this object
## Visualize the first few observations
fit.gls.vc[1:10,1:10]
```

```
## [,1] [,2] [,3] [,4] [,5] [,6] [,7]
## [1,] 3.530572 0.00000 0.00000 0.0000 0.0000 0.0000 0.000
## [2,] 0.000000 15.12026 0.00000 0.0000 0.0000 0.0000 0.000
## [3,] 0.000000 0.00000 47.53714 0.0000 0.0000 0.0000 0.000
## [4,] 0.000000 0.00000 0.00000 122.3036 0.0000 0.0000 0.000
## [5,] 0.000000 0.00000 0.00000 0.0000 273.3773 0.0000 0.000
## [6,] 0.000000 0.00000 0.00000 0.0000 0.0000 550.6203 0.000
## [7,] 0.000000 0.00000 0.00000 0.0000 0.0000 0.0000 1023.508
## [8,] 0.000000 0.00000 0.00000 0.0000 0.0000 0.0000 0.000
## [9,] 0.000000 0.00000 0.00000 0.0000 0.0000 0.0000 0.000
## [10,] 0.000000 0.00000 0.00000 0.0000 0.0000 0.0000 0.000
## [,8] [,9] [,10]
## [1,] 0.000 0.000 0.000
## [2,] 0.000 0.000 0.000
## [3,] 0.000 0.000 0.000
## [4,] 0.000 0.000 0.000
## [5,] 0.000 0.000 0.000
## [6,] 0.000 0.000 0.000
## [7,] 0.000 0.000 0.000
## [8,] 1785.058 0.000 0.000
## [9,] 0.000 2955.968 0.000
## [10,] 0.000 0.000 4688.938
```

```
## Store for visualization
## only the first 12 observations
vc2 <- fit.gls.vc[1:12,1:12]
round(vc2,0)
```

```
## [,1] [,2] [,3] [,4] [,5] [,6] [,7] [,8] [,9] [,10] [,11] [,12]
## [1,] 4 0 0 0 0 0 0 0 0 0 0 0
## [2,] 0 15 0 0 0 0 0 0 0 0 0 0
## [3,] 0 0 48 0 0 0 0 0 0 0 0 0
## [4,] 0 0 0 122 0 0 0 0 0 0 0 0
## [5,] 0 0 0 0 273 0 0 0 0 0 0 0
## [6,] 0 0 0 0 0 551 0 0 0 0 0 0
## [7,] 0 0 0 0 0 0 1024 0 0 0 0 0
## [8,] 0 0 0 0 0 0 0 1785 0 0 0 0
## [9,] 0 0 0 0 0 0 0 0 2956 0 0 0
## [10,] 0 0 0 0 0 0 0 0 0 4689 0 0
## [11,] 0 0 0 0 0 0 0 0 0 0 7173 0
## [12,] 0 0 0 0 0 0 0 0 0 0 0 8767
```

```
## The variance increases as weight increases
## Visualize the variance-covariance of the errors
## This is only for the first 12 observations
## It is easier to visualize in the log scale
## Note: log(0) becomes -Inf, but not shown here
image(log(vc2[,ncol(vc2):1]),
main = "First 12 observations, Cov(resid)")
```

```
## For all observations
image(log(fit.gls.vc[,ncol(fit.gls.vc):1]),
main = "All observations, Cov(resid)")
```

Since not only the variance is increasing, but also the data comes from different chick and is thus correlated, we could fit the following model.

```
## Adding the correlation
fit.gls2 <- gls(weight ~ Time, data = ChickWeight,
weights = varPower(),
correlation = corCAR1(form = ~ Time | Chick))
## Extract the variance-covariance of the residuals
## Note: getVarCov fails for this object
fit.gls2.vc <- var_cov(fit.gls2)
## Visualize the first few observations
round(fit.gls2.vc[1:13,1:13],0)
```

```
## [,1] [,2] [,3] [,4] [,5] [,6] [,7] [,8] [,9] [,10] [,11] [,12] [,13]
## [1,] 89 129 178 236 302 377 462 555 658 770 890 954 0
## [2,] 129 194 267 353 452 565 692 832 985 1152 1333 1428 0
## [3,] 178 267 379 501 642 803 982 1181 1400 1637 1893 2029 0
## [4,] 236 353 501 684 877 1096 1341 1613 1911 2235 2585 2769 0
## [5,] 302 452 642 877 1160 1449 1774 2133 2527 2956 3418 3663 0
## [6,] 377 565 803 1096 1449 1869 2287 2750 3259 3811 4408 4723 0
## [7,] 462 692 982 1341 1774 2287 2888 3473 4115 4813 5566 5964 0
## [8,] 555 832 1181 1613 2133 2750 3473 4310 5106 5972 6907 7400 0
## [9,] 658 985 1400 1911 2527 3259 4115 5106 6241 7300 8443 9046 0
## [10,] 770 1152 1637 2235 2956 3811 4813 5972 7300 8809 10188 10916 0
## [11,] 890 1333 1893 2585 3418 4408 5566 6907 8443 10188 12158 13026 0
## [12,] 954 1428 2029 2769 3663 4723 5964 7400 9046 10916 13026 14177 0
## [13,] 0 0 0 0 0 0 0 0 0 0 0 0 89
```

```
## Visualize the variance-covariance of the errors
## On the log-scale
## Reorder and select
vc2.36 <- fit.gls2.vc[1:36,1:36]
image(log(vc2.36[,ncol(vc2.36):1]),
main = "Covariance matrix of residuals \n for the first three Chicks (log-scale)")
```

Let’s plot the data, by Chick. this shows that there is a high temporal correlation as we would expect. Chicks which have a higher weight (than others) at given time, tend to still be higher at a later time.