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@@ -2281,9 +2281,14 @@ $\bm{X}\bm{X}^T$\bm{U}=\bm{U}\begin{bmatrix} \tilde{\bm{\Sigma}} & \bm{0} \\ \bm
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\]
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!et
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It means that the eigenvalues of $\bm{X}\bm{X}^T$ are again given by the non-zero singular values plus now a series of zeros. However, when performing the matrix-matrix multiplications. The column vectors of $\bm{U}$ are the eigenvectors of $\bm{X}\bm{X}^T$ and measure how much correlations are contained in the rows of $\m{X}$.
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It means that the eigenvalues of $\bm{X}\bm{X}^T$ are again given by
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the non-zero singular values plus now a series of zeros. The column
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vectors of $\bm{U}$ are the eigenvectors of $\bm{X}\bm{X}^T$ and
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measure how much correlations are contained in the rows of $\bm{X}$.
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Since we will mainly be interested in the correlations among features of our data, the quantity of interest for us are the non-zero singular values and the column vectors of $\bm{V}$.
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Since we will mainly be interested in the correlations among the features
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of our data (the columns of $\bm{X}$, the quantity of interest for us are the non-zero singular
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values and the column vectors of $\bm{V}$.
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!split
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@@ -2350,7 +2355,7 @@ Here we have defined the norm-1 as
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!split
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===== More on Ridge Regression =====
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===== Deriving the Ridge Regression Equations =====
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Using the matrix-vector expression for Ridge regression,
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@@ -2363,10 +2368,10 @@ C(\bm{X},\bm{\beta})=\frac{1}{n}\left\{(\bm{y}-\bm{X}\bm{\beta})^T(\bm{y}-\bm{X}
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by taking the derivatives with respect to $\bm{\beta}$ we obtain then
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a slightly modified matrix inversion problem which for finite values
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of $\lambda$ does not suffer from singularity problems. We obtain
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the optimal parameters
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!bt
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\[
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\bm{\beta}^{\mathrm{Ridge}} = \left(\bm{X}^T\bm{X}+\lambda\bm{I}\right)^{-1}\bm{X}^T\bm{y},
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\hat{\bm{\beta}}_{\mathrm{Ridge}} = \left(\bm{X}^T\bm{X}+\lambda\bm{I}\right)^{-1}\bm{X}^T\bm{y},
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\]
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!et
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@@ -2380,22 +2385,26 @@ with $\bm{I}$ being a $p\times p$ identity matrix with the constraint that
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with $t$ a finite positive number.
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We see that Ridge regression is nothing but the standard
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OLS with a modified diagonal term added to $\bm{X}^T\bm{X}$. The
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consequences, in particular for our discussion of the bias-variance tradeoff
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are rather interesting.
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Furthermore, if we use the result above in terms of the SVD decomposition (our analysis was done for the OLS method), we had
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When we compare this with the ordinary least squares result we have
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!bt
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\[
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(\bm{X}\bm{X}^T)\bm{U} = \bm{U}\bm{D}.
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\hat{\bm{\beta}}_{\mathrm{OLS}} = \left(\bm{X}^T\bm{X}\right)^{-1}\bm{X}^T\bm{y},
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\]
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!et
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which can lead to singular matrices. However, with the SVD, we can always compute the inverse of the matrix $\bm{X}^T\bm{X}$.
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We can analyse the OLS solutions in terms of the eigenvectors (the columns) of the right singular value matrix $\bm{U}$ as
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We see that Ridge regression is nothing but the standard OLS with a
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modified diagonal term added to $\bm{X}^T\bm{X}$. The consequences, in
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particular for our discussion of the bias-variance tradeoff are rather
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interesting. We will see that for specific values of $\lambda$, we may
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even reduce the variance of the optimal parameters $\bm{\beta}$. These topics and other related ones, will be discussed after the more linear algebra oriented analysis here.
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Using our insights about the SVD of the design matrix $\bm{X}$
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We have already analyzed the OLS solutions in terms of the eigenvectors (the columns) of the right singular value matrix $\bm{U}$ as
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!bt
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\[
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\bm{X}\bm{\beta} = \bm{X}\left(\bm{V}\bm{D}\bm{V}^T \right)^{-1}\bm{X}^T\bm{y}=\bm{U\Sigma V^T}\left(\bm{V}\bm{D}\bm{V}^T \right)^{-1}(\bm{U\Sigma V^T})^T\bm{y}=\bm{U}\bm{U}^T\bm{y}
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\bm{X}\bm{\beta} = =\bm{U}\bm{U}^T\bm{y}.
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\]
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!et
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@@ -2404,7 +2413,7 @@ For Ridge regression this becomes
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!bt
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\[
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\bm{X}\bm{\beta}^{\mathrm{Ridge}} = \bm{U\Sigma V^T}\left(\bm{V}\bm{D}\bm{V}^T+\lambda\bm{I} \right)^{-1}(\bm{U\Sigma V^T})^T\bm{y}=\sum_{j=0}^{p-1}\bm{u}_j\bm{u}_j^T\frac{\sigma_j^2}{\sigma_j^2+\lambda}\bm{y},
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\bm{X}\bm{\beta}^{\mathrm{Ridge}} = \bm{U\Sigma V^T}\left(\bm{V}\bm{\Sigma}^2\bm{V}^T+\lambda\bm{I} \right)^{-1}(\bm{U\Sigma V^T})^T\bm{y}=\sum_{j=0}^{p-1}\bm{u}_j\bm{u}_j^T\frac{\sigma_j^2}{\sigma_j^2+\lambda}\bm{y},
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\]
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!et
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@@ -2468,103 +2477,6 @@ For more discussions of Ridge and Lasso regression, "Wessel van Wieringen's":"ht
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Similarly, "Mehta et al's article":"https://arxiv.org/abs/1803.08823" is also recommended.
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!split
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===== A better understanding of regularization =====
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The parameter $\lambda$ that we have introduced in the Ridge (and
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Lasso as well) regression is often called a regularization parameter
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or shrinkage parameter. It is common to call it a hyperparameter. What does it mean mathemtically?
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Here we will first look at how to analyze the difference between the
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standard OLS equations and the Ridge expressions in terms of a linear
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algebra analysis using the SVD algorithm. Thereafter, we will link
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(see the material on the bias-variance tradeoff below) these
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observation to the statisical analysis of the results. In particular
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we consider how the variance of the parameters $\bm{\beta}$ is
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affected by changing the parameter $\lambda$.
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!split
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===== Decomposing the OLS and Ridge expressions =====
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We have our design matrix
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$\bm{X}\in {\mathbb{R}}^{n\times p}$. With the SVD we decompose it as
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!bt
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\[
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\bm{X} = \bm{U\Sigma V^T},
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\]
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!et
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with $\bm{U}\in {\mathbb{R}}^{n\times n}$, $\bm{\Sigma}\in {\mathbb{R}}^{n\times p}$
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and $\bm{V}\in {\mathbb{R}}^{p\times p}$.
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The matrices $\bm{U}$ and $\bm{V}$ are unitary/orthonormal matrices, that is in case the matrices are real we have $\bm{U}^T\bm{U}=\bm{U}\bm{U}^T=\bm{I}$ and $\bm{V}^T\bm{V}=\bm{V}\bm{V}^T=\bm{I}$.
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!split
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===== Mathematical Properties =====
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There are several interesting mathematical properties which will be
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relevant when we are going to discuss the differences between say
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ordinary least squares (OLS) and _Ridge_ regression.
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We have from OLS that the parameters of the linear approximation are given by
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!bt
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\[
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\bm{\tilde{y}} = \bm{X}\bm{\beta} = \bm{X}\left(\bm{X}^T\bm{X}\right)^{-1}\bm{X}^T\bm{y}.
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\]
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!et
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The matrix to invert can be rewritten in terms of our SVD decomposition as
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!bt
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\[
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\bm{X}^T\bm{X} = \bm{V}\bm{\Sigma}^T\bm{U}^T\bm{U}\bm{\Sigma}\bm{V}^T.
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\]
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!et
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Using the orthogonality properties of $\bm{U}$ we have
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!bt
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\[
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\bm{X}^T\bm{X} = \bm{V}\bm{\Sigma}^T\bm{\Sigma}\bm{V}^T = \bm{V}\bm{D}\bm{V}^T,
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\]
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!et
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with $\bm{D}$ being a diagonal matrix with values along the diagonal given by the singular values squared.
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This means that
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!bt
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\[
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(\bm{X}^T\bm{X})\bm{V} = \bm{V}\bm{D},
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\]
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!et
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that is the eigenvectors of $(\bm{X}^T\bm{X})$ are given by the columns of the right singular matrix of $\bm{X}$ and the eigenvalues are the squared singular values. It is easy to show (show this) that
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!bt
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\[
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(\bm{X}\bm{X}^T)\bm{U} = \bm{U}\bm{D},
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\]
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!et
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that is, the eigenvectors of $(\bm{X}\bm{X})^T$ are the columns of the left singular matrix and the eigenvalues are the same.
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Going back to our OLS equation we have
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!bt
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\[
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\bm{X}\bm{\beta} = \bm{X}\left(\bm{V}\bm{D}\bm{V}^T \right)^{-1}\bm{X}^T\bm{y}=\bm{U\Sigma V^T}\left(\bm{V}\bm{D}\bm{V}^T \right)^{-1}(\bm{U\Sigma V^T})^T\bm{y}=\bm{U}\bm{U}^T\bm{y}.
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\]
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!et
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We will come back to this expression when we discuss Ridge regression.
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$$ \tilde{y}^{OLS}={\bf X}\hat{\beta}^{OLS}=\sum_{j=1}^p {\bf u}_j{\bf u}_j^T{\bf y}$$ and for Ridge we have
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$$ \tilde{y}^{Ridge}={\bf X}\hat{\beta}^{Ridge}=\sum_{j=1}^p {\bf u}_j\frac{\sigma_j^2}{\sigma_j^2+\lambda}{\bf u}_j^T{\bf y}$$ .
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It is indeed the economy-sized SVD, note the summation runs up tp $$p$$ only and not $$n$$.
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Here we have that $${\bf X} = {\bf U}{\bf \Sigma}{\bf V}^T$$, with $$\Sigma$$ being an $$ n\times p$$ matrix and $${\bf V}$$ being a $$ p\times p$$ matrix. We also have assumed here that $$ n > p$$.
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!split
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