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Let $V$ be the set of datapoint and assume that each point can be represented by a vertex. Then, given a similarity matrix $ \mathbf{M}$, we define a graph $G = (V, \mathbf{M})$ generated using $k$-nearest neighbors.
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Let $\mathbf{D}$ denote the diagonal degree matrix of $\mathbf{M}$. Then, we define the normalized weight matrix $\mathbf{W}$ using $\mathbf{D}$, so that
\begin{equation*}
\mathbf{W}= \mathbf{D}^{-\frac{1}{2}} \mathbf{M} \mathbf{D}^{-\frac{1}{2}}.
\end{equation*}
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Therefore, we define the normalized Laplacian matrix of $G$ as
\begin{equation*}
\mathbf{L} = \mathbf{I} – \mathbf{W}= \mathbf{I}- \mathbf{D}^{-\frac{1}{2}} \mathbf{M} \mathbf{D}^{-\frac{1}{2}},
\end{equation*}
where $\mathbf{I}$ is the identity matrix. -
Since the normalized Laplacian matrix $\mathbf{L}$ is a positive semi-definite matrix, the matrix $\mathbf{L}$ is decomposed into an orthogonal set of eigenvectors $\mathbf{U}=[u_1,…u_n]$ and eigenvalues $\mathbf{\Lambda}=[\lambda_1,…,\lambda_n]$ represented as follows
\begin{equation*}
\mathbf{L}= \mathbf{U}\Lambda \mathbf{U}^{T}.
\end{equation*}
In the graph setting, the eigenvalues of $ \mathbf{L}$ can be treated as graph frequencies, and are always situated in the interval $[0, 2]$ for $\mathbf{L}$.
………………….
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Now, let $\mathbf{H}=\mathbf{U} h(\mathbf{\Lambda}) \mathbf{U}^{T}$ where $h(\mathbf{\Lambda})$=diag$(h(\lambda_1),…,h(\lambda_n))$.
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I assume that $h(\mathbf{\lambda})=1$ if $\lambda \leq \lambda_k$ and $h(\mathbf{\lambda})=0$ if not.
Therefore, $\mathbf{U} h(\mathbf{\Lambda}) \mathbf{U}^{T}= \boldsymbol{\chi} \boldsymbol{\chi}^T $, where $\boldsymbol{\chi} \in \mathbb{R}^{n\times k}$ contains the first $k$ eigenvectors of the normalized Laplacian $\mathbf{L}$.
My questions:
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I know that $UU^{T}=\mathbf{I}$ but what about $\boldsymbol{\chi} \boldsymbol{\chi}^T $ that contains the first $k$ eigenvectors of the normalized Laplacian $\mathbf{L}$ ?
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Assume that I sum up all elements of the matrix $\boldsymbol{\chi} \boldsymbol{\chi}^T $ (call it $S$). Is there any condition to ensure that the sum $S$ decreases or takes the smallest possible value?
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Is there any relation between $S$, $\boldsymbol{\chi} \boldsymbol{\chi}^T $ and the the topology of the graph?
Best Answer
Because $\chi^T\chi = I_k$, $\chi\chi^T$ is the orthogonal projection onto the span of the columns of $\chi$, i.e. the first $k$ eigenvectors of L.
Let $\chi_k$ denote the matrix $\chi$ constructed above with $k$ columns. Let $e = (1,1,\dots,1)^T$. The sum of the elements of $\chi_k\chi_k^T$ is equal to $$ S_k = e^T[\chi_k\chi_k^T]e = [e^T\chi_k][\chi_k^Te] = (\chi_k^Te)^T(\chi_k^Te) = \sum_{j=1}^k (e^Tv_j)^2, $$ where $v_j$ denotes the $j$th unit eigenvector (i.e. the $j$th column of $\chi_k$). Note that $e^Tv_j$ is the sum of the entries of $v_j$. With that, it is clear that $S$ increases as $k$ increases since each term in the sum is non-negative.
There is no relation to the topology of the graph that I can see. If you're interested in a more thorough answer, then this question should probably be asked as its own, separate post.