Towards the PCA theorem

We have that the covariance matrix (the correlation matrix involves a simple rescaling) is given as $$ \boldsymbol{C}[\boldsymbol{x}] = \frac{1}{n}\boldsymbol{X}\boldsymbol{X}^T= \mathbb{E}[\boldsymbol{X}\boldsymbol{X}^T]. $$ Let us now assume that we can perform a series of orthogonal transformations where we employ some orthogonal matrices \( \boldsymbol{S} \). These matrices are defined as \( \boldsymbol{S}\in {\mathbb{R}}^{p\times p} \) and obey the orthogonality requirements \( \boldsymbol{S}\boldsymbol{S}^T=\boldsymbol{S}^T\boldsymbol{S}=\boldsymbol{I} \). The matrix can be written out in terms of the column vectors \( \boldsymbol{s}_i \) as \( \boldsymbol{S}=[\boldsymbol{s}_0,\boldsymbol{s}_1,\dots,\boldsymbol{s}_{p-1}] \) and \( \boldsymbol{s}_i \in {\mathbb{R}}^{p} \).

Assume also that there is a transformation \( \boldsymbol{S}\boldsymbol{C}[\boldsymbol{x}]\boldsymbol{S}^T=\boldsymbol{C}[\boldsymbol{y}] \) such that the new matrix \( \boldsymbol{C}[\boldsymbol{y}] \) is diagonal with elements \( [\lambda_0,\lambda_1,\lambda_2,\dots,\lambda_{p-1}] \).

That is we have $$ \boldsymbol{C}[\boldsymbol{y}] = \mathbb{E}[\boldsymbol{S}\boldsymbol{X}\boldsymbol{X}^T\boldsymbol{S}^T]=\boldsymbol{S}\boldsymbol{C}[\boldsymbol{x}]\boldsymbol{S}^T, $$ since the matrix \( \boldsymbol{S} \) is not a data dependent matrix. Multiplying with \( \boldsymbol{S}^T \) from the left we have $$ \boldsymbol{S}^T\boldsymbol{C}[\boldsymbol{y}] = \boldsymbol{C}[\boldsymbol{x}]\boldsymbol{S}^T, $$ and since \( \boldsymbol{C}[\boldsymbol{y}] \) is diagonal we have for a given eigenvalue \( i \) of the covariance matrix that $$ \boldsymbol{S}^T_i\lambda_i = \boldsymbol{C}[\boldsymbol{x}]\boldsymbol{S}^T_i. $$

In the derivation of the PCA theorem we will assume that the eigenvalues are ordered in descending order, that is \( \lambda_0 > \lambda_1 > \dots > \lambda_{p-1} \).

The eigenvalues tell us then how much we need to stretch the corresponding eigenvectors. Dimensions with large eigenvalues have thus large variations (large variance) and define therefore useful dimensions. The data points are more spread out in the direction of these eigenvectors. Smaller eigenvalues mean on the other hand that the corresponding eigenvectors are shrunk accordingly and the data points are tightly bunched together and there is not much variation in these specific directions. Hopefully then we could leave it out dimensions where the eigenvalues are very small. If \( p \) is very large, we could then aim at reducing \( p \) to \( l < < p \) and handle only \( l \) features/predictors.