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TITLE: Exercises week 36
AUTHOR: September 4-8, 2023
DATE: Deadline is Sunday September 10 at midnight
===== Overarching aims of the exercises this week =====
This set of exercises form an important part of the first project. The
analytical exercises deal with the material covered last week on the
mathematical interpretations of ordinary least squares and of Ridge
regression. The numerical exercises can be seen as a continuation of
exercise 3 from week 35, with the inclusion of Ridge regression. This
material enters also the discussions of the first project.
===== Exercise: Analytical exercises =====
The aim here is to derive the expression for the optimal parameters
using Ridge regression. Furthermore, using the singular value
decomposition, we will analyze the difference between the ordinary
least squares approach and Ridge regression.
The expression for the standard Mean Squared Error (MSE) which we used to define our cost function and the equations for the ordinary least squares (OLS) method, that is
our optimization problem is
!bt
\[
{\displaystyle \min_{\bm{\beta}\in {\mathbb{R}}^{p}}}\frac{1}{n}\left\{\left(\bm{y}-\bm{X}\bm{\beta}\right)^T\left(\bm{y}-\bm{X}\bm{\beta}\right)\right\}.
\]
!et
or we can state it as
!bt
\[
{\displaystyle \min_{\bm{\beta}\in
{\mathbb{R}}^{p}}}\frac{1}{n}\sum_{i=0}^{n-1}\left(y_i-\tilde{y}_i\right)^2=\frac{1}{n}\vert\vert \bm{y}-\bm{X}\bm{\beta}\vert\vert_2^2,
\]
!et
where we have used the definition of a norm-2 vector, that is
!bt
\[
\vert\vert \bm{x}\vert\vert_2 = \sqrt{\sum_i x_i^2}.
\]
!et
By minimizing the above equation with respect to the parameters
$\bm{\beta}$ we could then obtain an analytical expression for the
parameters $\bm{\beta}$.
We can add a regularization parameter $\lambda$ by
defining a new cost function to be optimized, that is
!bt
\[
{\displaystyle \min_{\bm{\beta}\in
{\mathbb{R}}^{p}}}\frac{1}{n}\vert\vert \bm{y}-\bm{X}\bm{\beta}\vert\vert_2^2+\lambda\vert\vert \bm{\beta}\vert\vert_2^2
\]
!et
which leads to the Ridge regression minimization problem where we
require that $\vert\vert \bm{\beta}\vert\vert_2^2\le t$, where $t$ is
a finite number larger than zero.
=== a) Expression for Ridge regression ===
Show that the optimal parameters
!bt
\[
\hat{\bm{\beta}}_{\mathrm{Ridge}} = \left(\bm{X}^T\bm{X}+\lambda\bm{I}\right)^{-1}\bm{X}^T\bm{y},
\]
!et
with $\bm{I}$ being a $p\times p$ identity matrix with the constraint that
!bt
\[
\sum_{i=0}^{p-1} \beta_i^2 \leq t,
\]
!et
with $t$ a finite positive number.
The ordinary least squares result is
!bt
\[
\hat{\bm{\beta}}_{\mathrm{OLS}} = \left(\bm{X}^T\bm{X}\right)^{-1}\bm{X}^T\bm{y},
\]
!et
=== b) The singular value decomposition ===
Use the singular value decomposition of an $m\times n$ matrix $\bm{X}$ (our design matrix)
!bt
\[
discussed in the lecture notes from week 35 to sh
We have already analyzed the OLS solutions in terms of the eigenvectors (the columns) of the right singular value matrix $\bm{U}$ as
!bt
\[
\tilde{\bm{y}}_{\mathrm{OLS}}=\bm{X}\bm{\beta} =\bm{U}\bm{U}^T\bm{y}.
\]
!et
For Ridge regression this becomes
!bt
\[
\tilde{\bm{y}}_{\mathrm{Ridge}}=\bm{X}\bm{\beta}_{\mathrm{Ridge}} = \bm{U\Sigma V^T}\left(\bm{V}\bm{\Sigma}^2\bm{V}^T+\lambda\bm{I} \right)^{-1}(\bm{U\Sigma V^T})^T\bm{y}=\sum_{j=0}^{p-1}\bm{u}_j\bm{u}_j^T\frac{\sigma_j^2}{\sigma_j^2+\lambda}\bm{y},
\]
!et
with the vectors $\bm{u}_j$ being the columns of $\bm{U}$ from the SVD of the matrix $\bm{X}$.
===== Exercise: Adding Ridge Regression =====
This exercise is a continuation of exercise 3 from last week. We will use the same function to
generate our data set, still staying with a simple function $y(x)$
which we want to fit using linear regression, but now extending the
analysis to include the Ridge regression method.
Write your own code for the Ridge method (see chapter 3.4 of Hastie
*et al.*, equations (3.43) and (3.44)) and compute the parametrization
for different values of $\lambda$. Compare and analyze your results
with those from exercise 3. Study the dependence on $\lambda$ while
also varying the strength of the noise in your expression for $y(x)$.
Repeat the above but using the functionality of
_Scikit-Learn_. Compare your code with the results from
_Scikit-Learn_. Remember to run with the same random numbers for
generating $x$ and $y$. Observe also that when you compare with _Scikit-Learn_, you need to pay attention to how the intercept is dealt with.
Finally, using _Scikit-Learn_ or your own code, compute also the mean square error, a risk metric corresponding to the expected value of the squared (quadratic) error defined as
!bt
\[ MSE(\hat{y},\hat{\tilde{y}}) = \frac{1}{n}
\sum_{i=0}^{n-1}(y_i-\tilde{y}_i)^2,
\]
!et
and the $R^2$ score function.
If $\tilde{\hat{y}}_i$ is the predicted value of the $i-th$ sample and $y_i$ is the corresponding true value, then the score $R^2$ is defined as
!bt
\[
R^2(\hat{y}, \tilde{\hat{y}}) = 1 - \frac{\sum_{i=0}^{n - 1} (y_i - \tilde{y}_i)^2}{\sum_{i=0}^{n - 1} (y_i - \bar{y})^2},
\]
!et
where we have defined the mean value of $\hat{y}$ as
!bt
\[
\bar{y} = \frac{1}{n} \sum_{i=0}^{n - 1} y_i.
\]
!et
Discuss these quantities as functions of the variable $\lambda$ in Ridge regression.