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%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
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%%%%%=============================================================================%%%%
%%%% Remarks: This template is provided to aid authors with the preparation
%%%% of original research articles intended for submission to journals published
%%%% by Springer Nature. The guidance has been prepared in partnership with
%%%% production teams to conform to Springer Nature technical requirements.
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\begin{document}
\title[On New PageRank Computation Methods using Quantum Computing]{On New PageRank Computation Methods using Quantum Computing}
%%=============================================================%%
%% Prefix -> \pfx{Dr}
%% GivenName -> \fnm{Joergen W.}
%% Particle -> \spfx{van der} -> surname prefix
%% FamilyName -> \sur{Ploeg}
%% Suffix -> \sfx{IV}
%% NatureName -> \tanm{Poet Laureate} -> Title after name
%% Degrees -> \dgr{MSc, PhD}
%% \author*[1,2]{\pfx{Dr} \fnm{Joergen W.} \spfx{van der} \sur{Ploeg} \sfx{IV} \tanm{Poet Laureate}
%% \dgr{MSc, PhD}}\email{iauthor@gmail.com}
%%=============================================================%%
\author*[1]{\fnm{Théodore} \sur{Chapuis-Chkaiban}}\email{theodore.chapuis-chkaiban@student-cs.fr}
\author[2]{\fnm{Zeno} \sur{Toffano}}\email{zeno.toffano@centralesupelec.fr}
\equalcont{These authors contributed equally to this work.}
\author[3]{\fnm{Benoît} \sur{Valiron}}\email{benoit.valiron@centralesupelec.fr}
\equalcont{These authors contributed equally to this work.}
\affil*[1]{\orgdiv{Department of Computer Science},
\orgname{CentraleSupélec}, \orgaddress{\street{3 Rue Joliot-Curie},
\postcode{91190}, \city{Gif-Sur-Yvette}, \country{France}}}
\affil[2]{\orgname{Université Paris-Saclay}, CNRS, CentraleSupélec,
\orgdiv{Laboratoire des signaux et systèmes},
\orgaddress{\postcode{91190}, \city{Gif-sur-Yvette},
\country{France}}}
\affil[3]{\orgname{Université Paris-Saclay}, CNRS, ENS Paris-Saclay,
CentraleSupélec, \orgdiv{Laboratoire Méthodes Formelles},
\orgaddress{\postcode{91190}, \city{Gif-sur-Yvette},
\country{France}}}
\abstract{In this paper we propose several new quantum computation algorithms as an original contribution to the domain of PageRank algorithm theory, Spectral Graph Theory and Quantum Signal Processing.
We first propose an application to PageRank of the HHL quantum algorithm for linear equation systems. We then introduce one of the first Quantum Based Algorithms to perform a directed Graph Fourier Transform with a low gate complexity. After, proposing a generalized PageRank formulation, based on ideas stemming from Spectral Graph Theory, we show how our quantum directed graph Fourier Transform can be applied to compute our generalized version of the PageRank.
}
\keywords{Quantum Computing, PageRank, Fourier Transform, Spectral
Graph Theory}
\maketitle
\section{Introduction}
The Google PageRank algorithm was introduced by Sergey Brin and
Lawrence Page in their paper entitled "The anatomy of a
large-scale hypertextual Web search engine" \cite{brin_page_1998}. The PageRank algorithm produces a node ranking score by order of importance on a directed graph. The algorithm structured the Web: although it is now integrated into a larger pipeline, it still remains a major component of Google's search engine.
Numerous applications have been derived. For instance in social networks, this algorithm can be used to sort the most influential users or
contents. Use cases can be found in various fields like sports, literature, neuroscience, toxic waste management, debugging and road traffic prediction... See \cite{cornell_pagerank} for a broad discussion and \cite{gleich_2015} where David F. Gleich discusses extensively the various applications of the PageRank algorithm.
On the mathematical side the algorithm relies on the Perron-Frobenius theorem producing an approximation of a final PageRank vector.
In an unparallel setting, the PageRank of a $n$-node graph can be computed in $\mathcal{O}(n)$ operations (it amounts to do a constant number of sparse matrix-vector multiplications) . The computational complexity is logarithmic on the precision one wants to achieve on the final rankings.
Spectral Graph Theory (SGT) is a new mathematical theory used to adapt signal processing to graph theory. Graph Fourier Transform - a major tool used in SGT - provides interesting results on the properties of directed graphs \cite{shuman_narang_frossard_ortega_vandergheynst_2013}. This theory has numerous applications and consequences on the study of graphs :
from Machine Learning and Computer Graphics to pure mathematics. See
\cite{chung_1997,
ricaud_borgnat_tremblay_goncalves_vandergheynst_2019,
shuman_narang_frossard_ortega_vandergheynst_2013, sevi2019} for
instance.
Three original proposals are presented in this paper:
\begin{itemize}
\item We propose an efficient way to compute the classical PageRank using quantum circuits by using the HHL (Harrow, Hassidim, Lloyd) algorithm \cite{Harrow_2009}. We point out that the classical PageRank algorithm can be efficiently computed using the HHL algorithm. To our knowledge this is the first quantum circuit based PageRank algorithm and can be seen as the equivalent of the Quantum Adiabatic Algorithm \cite{garnerone_zanardi_lidar_2012} with some minor refinements on the treatment of dangling nodes and squared state amplitudes. Our algorithm may be seen as a solution to the open problem stated at the end of \cite{garnerone_zanardi_lidar_2012}. Our version achieves a better theoretical complexity in the final state preparation, and improves the number of samples needed to approximate the top ranking values. As far as we know, this theoretical logarithmic complexity has never been reached for the PageRank algorithm, the previous best result was obtained by \cite{garnerone_zanardi_lidar_2012}, with a $\mathcal{O}(polylog(n))$ experimental complexity.
\item We also propose a quantum computing framework to tackle several problems related to Spectral Graph Theory. We adapt the Quantum Singular Thresholding Algorithm \cite{gilyen_su_low_wiebe_2019} to compute inverse Graph Fourier Transforms. We show that, provided one can access to an efficient quantum data structure, one can either perform advanced graph signal filtering or produce complex signals based on inverse Graph Fourier Transform using a number of quantum gates that scales linearly with the degree of a polynomial approximation of the filter. We then present several use cases for our algorithm.
\item We finally generalize Google's classical PageRank algorithm and provide a new PageRank formalism that can be used as well in classical and quantum Signal Processing. We then show that the Quantum Singular Thresholding algorithm can compute this generalised version of the PageRank using quantum circuits. The method relies again on Spectral Graph Theory and produces rankings by the investigation of the the input Graph transition matrix eigenspaces. We provide numerical results refining the ranking obtained by the classical PageRank algorithm, respecting the original structure of the input graph. We then show that our generalized PageRank method can be efficiently implemented on a quantum computer using our Quantum Signal Processing Algorithm. We also draw a parallel between our method and G. Paparo's discrete PageRank quantum algorithm \cite{paparo_martin-delgado_2012}.
\end{itemize}
We have divided this article into 7 sections:
\begin{enumerate}
\item Introduction
\item General notions on PageRank algorithm theory and state of the art of the quantum approaches of PageRank.
\item HHL algorithm application to PageRank.
\item Introduction to the Spectral Graph Theory
\item Quantum algorithms For Graph Fourier Transform computation
\item Application of Spectral Graph Theory to PageRank
\item Conclusion
\end{enumerate}
We added an appendix that details numerical examples of our Generalized PageRank using various Kernels.
\section{General notions on PageRank Theory and Quantum Computing applications}
\label{sec:previousResults}
\subsection{Mathematical statement of the problem.}
\subsubsection*{Inputs:} Given a directed finite weighted graph $\mathcal{G} = (V, E, W(E))$, where
$W(E) : V \times V \rightarrow \mathbb{R}^{+}$ is a map such that $\forall (i,j) \in V\times V, \left\{ \begin{array}{cc}
W(i,j)>0 & \mbox{ if } (i,j) \in E \\
W(i,j)=0 & \mbox{ otherwise}
\end{array} \right.$.
We will only consider finite graphs in this paper, ie $|V|<\infty$.
Throughout this paper, to improve clarity, the
simpler terms \textit{directed graphs} or \textit{graphs} are used in place of \textit{directed finite weighted graph}. The finite and weighted
properties are implicit if not precised otherwise. Similarly, the terms \textit{weighted adjacency matrix} and \textit{adjacency matrix} will be used indistinctly.
While the original PageRank algorithm can have any type of graph as input, our results are derived by using the algorithm on scale-free networks. The scale
free network degree distribution follows an asymptotic power law,
i.e. the proportion \textit{P(k)} of nodes having k outgoing edges is :
\begin{equation*}
P(k) \simeq k^{-\gamma}
\end{equation*}
Where the coefficient values $2 \leq \gamma \leq 3$, lead to models that best highlight human interaction \cite{choromanski_matuszak_mie}.
These scale-free networks are generated using the Barabasi–Albert model. In fact, this model produce random scale-free networks using a
preferential attachment mechanism - which aims to simulate naturals
and human-based systems such as the Internet or Social Networks
\cite{barabasi_albert_1999, albert_barabasi_2002}.
\subsubsection*{Result:} The ouiput is given by the importance vector \emph{I},
$I:V \rightarrow \mathbb{R}$, that establishes a ranking of the nodes
by order of "importance".
\subsection{The Google matrix.}
\subsubsection{Theoretical prerequisites}
\label{subsubsec:Theo_prepreq}
The PageRank algorithm is based on Random Walks, more specifically on Markov Chains - it uses the Perron Frobenius theorem to compute the importance vector. In this first section, we will precise the definitions and theorems that form the PageRank theory.
As stated before the central mechanism behind the PageRank algorithm is the Markov Chain. Informally, given a directed weighted graph
$\mathcal{G} = (V,E, W(E))$ a Markov Chain can be informally defined as the successive positions of a random walker on the nodes \textit{V}, taking into account that the random walker can jump from the node $i$ to node $j$ of
$\mathcal{G}$ with the transition probability:
\begin{equation*}
p_{ij} = \frac{W(i,j)}{\sum_{k\in V} W(i,k)} \in [0,1]
\end{equation*}
For a formal definition of a Markov Chain see \cite{grinstead_snell_2006}.
We have a direct correspondence between the set of states of a Markov Chain with its associated transition probabilities and the directed weighted graph.
Also the set of transition probabilities are identified with the associated weighted adjacency matrix - which we will call the \textit{transition matrix} of the Markov Chain.
Thus, to simplify the notations we will assume that all the directed weighted graphs
$\mathcal{G}=(V, E, W(E))$ used in this paper are
normalized, i.e. $\forall i \in V$,
$\exists j \in V, \mbox{ so that: } (i,j)\in E$, then
$\sum_{j \in V} W(i,j) = 1$. Hence, given a graph $\mathcal{G}$ one
will now use indifferently the term \textit{transition matrix} to
designate the \textit{adjacency weighted matrix} of $\mathcal{G}$ .
Also we say that a given matrix is \textit{left-stochastic} if the coefficients of its rows sum to one.
Let's now define notion of \textit{dangling nodes} which is fundamental to the PageRank Theory:
\begin{definition}[Dangling Nodes \cite{langville_meyer_2004}]\label{def:dangling}
Let $\mathcal{G}=(V,E)$ be a directed graph. $x \in V$ is called a dangling node if it has no outgoing edges.
\end{definition}
The \textit{transition matrix} of a Markov Chain on a graph that
doesn't have any \textit{dangling nodes} (ie nodes that has no
outgoing edges) is \textit{left stochastic}. If the graph admits
dangling nodes, then the transition matrix has a null row.
\begin{definition}[Regular Markov Chains \cite{grinstead_snell_2006}]
\label{def:Regular_Markov}
A Markov Chain is called \textbf{regular} if some power of its
transition matrix has only positive coefficients. if \textit{C} is a Markov Chain associated with the probability transition matrix \textit{P}, then \textit{C} is regular \textit{iff} : \begin{equation}\label{eq:regularity} \exists k \in
\mathbb{N}, \mbox{ so that } \forall (i,j) \in \|1, n\|, P^k_{i,j}>0
\end{equation}
By extension, we say that a matrix is \textbf{regular}, if it follows
\ref{eq:regularity}.
Please note that a \textbf{regular matrix is necessarily
left-stochastic} - and hence is not associated with a graph that
admits dandling nodes.
\end{definition}
Hence, a Markov Chain whose state space is a graph $\mathcal{G}=(V,E)$ is regular \textit{iff} a random walker starting from any $v \in V$ can be located at any node of $\mathcal{G}$ after a finite number of steps.
Let's introduce an equivalent characterisation for regular Markov Chains that only holds true for finite state Markov Chains.
\begin{theo}[Regular Markov Chain Characterisation]
Let C be a Markov Chain, associated with the probability transition matrix P. C is \textbf{regular} iff it has the following properties :
\begin{enumerate}
\item Irreducibility : $\forall (i, j), \exists \ k \mbox{ so that : } P^k(i,j)>0$
\item Aperiodicity : $\forall i \mbox{ : } gcd\{k: P^k(i,j)>0\} = 1$
\end{enumerate}
\end{theo}
\label{ergodic_regular_markov}
Some authors (see \cite{sevi2019}) use the term \textit{ergodic
Markov Chain} to designate a \textit{regular Markov Chain}, while
others \cite{grinstead_snell_2006} use the term \textit{ergodic Markov Chains} in relation to the \textit{irreducibility} property. To simplify the notations, we have chosen to only use the term \textit{regular Markov Chain} throughout this paper.
In the previous theorem, the \textit{connectivity} property means that starting from any node, a random walker can attain any other node in the graph after a finite number of steps.
A node $i$ has a \textit{period} $k$ if, starting from $i$, a
random walker can only get back to $i$ by a multiple of $k$
steps. The \textit{period} of a graph is the greatest common divisor (gcd) of the periods of its nodes. A bipartite graph, for instance, is a 2-periodic graph. A graph is aperiodic if it is a 1-periodic graph.
Now let's introduce the limit distribution of a Markov Chain, that will allow us to define the importance vector.
\begin{definition}[Limit distribution of a Regular Markov Chain \cite{grinstead_snell_2006}]
Let $P$ be the transition matrix for a regular Markov Chain. Then,
as $n \rightarrow \infty$, the powers $P^n$ approach a limiting
matrix $W$ with all rows equal to the same vector $w$. The vector $w$ is a
strictly positive probability vector (all its components are
strictly positive and they sum to one).
Then :
\begin{enumerate}
\item $wP = w$ and any row vector $v$ such that $vP = v$ is a constant multiple of $w$.
\item $P \mathbb{1} = \mathbb{1}$, where $\mathbb{1}$ is the column vector where all the coefficients are equal to 1
\end{enumerate}
The vector $w$ is called the \textbf{probability limit distribution}
of the markov chain C associated with the transition matrix P.
\end{definition}
The $P^k_{ij}$ coefficients of the successive powers of the
transition matrix correspond to the probability of a walker, starting from the node $i$, to get to the node $j$ after $k$ steps. $w$ being the rows of the matrix $\underset{k\rightarrow \infty}{lim} P^k$. The
limit distribution probability coefficients $w_i$ can be interpreted as the probability to get to the node $i$ of the state graph after letting a random walker surf on the state graph for an infinite number of steps, starting from any node in the state graph.
In this way, the definition of the limit probability distribution is consistent because a node with a high limit probability distribution is able to attract a random walker starting from any node of the graph.
The Perron-Frobenius Theorem is the exact transposition of the previous result to linear algebra. Before discussing the Perron-Frobenius Theorem, let's recall the definition of a left (resp right) eigenvector, as it will be heavily used in this paper.
\begin{definition}[Left/Right Eigenvector]\label{theo:limit_distrib_markov_chain}
A left (resp right) eigenvector associated with an eigenvalue
$\lambda$ of a matrix $M \in \mathcal{M}_n(\mathbb{C})$ is a vector
$X \in \mathbb{C}^n / \{0\}$ such that :
\begin{equation*}
XM = \lambda X
\end{equation*}
(respectively $MX = \lambda X$)
\end{definition}
\begin{definition-theo}[Perron-Frobenius Theorem for Positive Matrices \cite{meyer_2000}]\label{def-theo:perron-frob}
Let $M \in \mathcal{M}_n(\mathbb{C})$ be a regular matrix, ie a
matrix so that
\begin{equation*}
\exists k \in \mathbb{N}, \mbox{ so that : } M^k_{ij} > 0, \forall (i,j) \in [1, n]
\end{equation*}
\begin{enumerate}
\item Then, 1 is an eigenvalue of M and any other eigenvalue $\lambda$ of M has its absolute value is strictly smaller than 1, \textit{i.e.}
$\forall \lambda \in Sp(A) / 1, \|\lambda\| < 1$. 1 is called the
Perron root, the Perron-Frobenius eigenvalue or the leading eigenvalue.
\item Moreover, the Perron-Frobenius eigenvalue is simple, ie the
eigenspace associated to 1 is one-dimensional.
\item There exists a left (resp right) eigenvector
$v = (v_1, \hdots, v_n)^T$ of M, associated to the Perron-Frobenius
eigenvalue, with $\forall i \in [1, \hdots, n], v_i > 0$.
\item There exists a unique left (resp right) eigenvector such that :
\begin{equation*}
p M = p, \ p>0, \ and \ \|p\|_1 = 1
\end{equation*}
This eigenvector is called the left (resp right) Perron-vector of M.
\end{enumerate}
\end{definition-theo}
Hence, given a regular Markov Chain $C$ associated with a regular matrix
$M$, the probability limit distribution of $C$, is exactly the left Perron-vector of $M$.
Having laid the theoretical framework, we can now explain the motivations that have led to our PageRank model.
\subsubsection{Classical Google PageRank}
\paragraph{Patching the dangling nodes:} Let $\mathcal{G}=(V,E)$ be a directed graph with transition matrix $P$. If
the graph $\mathcal{G}$ features dandling nodes, one transforms the
matrix $P$ into $\Bar{P}$ where
\begin{equation*}\label{eq:dangling_nodes_free}
\Bar{P_{i}} = \left\{
\begin{array}{ll}
P_{i} & \mbox{if $i$ is not a dandling node} \\
(\rho_1, \hdots, \rho_n) & \mbox{if $i$ is a dangling node}
\end{array}
\right.
\end{equation*}
And where $\Bar{P_{i}}$ is the $i^{th}$ row of $\Bar{P}$ and
$(\rho_1, \hdots, \rho_n)$ is a row stochastic vector (ie
$\underset{i \in [1, n]}{\sum} \rho_i = 1$). We call the matrix
$\Bar{P}$ the dangling-node free transition matrix of $C$.
One has to add virtual outgoing edges
to prevent input graphs from having dandling nodes, otherwise it is impossible to escape from their attraction: once a random walker is trapped into a dangling node, he can't move to an other node and the
limit probability distribution admits only one non-zero
coefficient.
In \cite{boldi_posenato_santini_vigna} an extensive discussion is presented on the subject defining three types of patches :
\textit{Strongly Preferential PageRank} - which is chosen by default
when a patch method is not expressively precised \cite{gleich_2015} ($\rho$ is the uniform
probability distribution),
\textit{Weakly Preferential PageRank} and \textit{Sink Preferential
PageRank} - which are less common \cite{gleich_2015}.
\paragraph{Google matrix and importance vector:} In Lawrence Page $\&$ Sergey Brin's paper \cite{brin_page_1998}, the
Google matrix is defined as :
\begin{definition}[Google Matrix \cite{brin_page_1998}]
\label{def:google_matrix}
Let $P$ be an dandling-free transition matrix associated a directed graph $\mathcal{G}$, the Google Matrix of $\mathcal{G}$ is :
\begin{equation*}
G = (1-\alpha) P + \frac{\alpha}{n} \mathbb{1}
\end{equation*}
Where $\mathbb{1}$ is the matrix that only contains ones and $\alpha$ is a constant ($\alpha \in [0,1]$).
\end{definition}
The original intuition behind the Google matrix is
the following : let $\mathcal{G}=(V,E)$ be a directed graph
representing the relations between the web Pages -\textit{ i.e.} where $x \in V$ represents a Web Page and
$e_{ij} \in E$ is the link from $i$ pointing to $j$. In order to quantify the "importance" of the nodes of the Graph we propagate a random walker on the Web and compute the probability that the Walker gets to a given node after a long time : the higher the probability the more relevant the node.
The Google matrix transforms the input graph by adding low-weighted edges between any pairs of nodes, making the input graph strongly connected (and thus regular). Google uses the value of $\alpha=0.15$ for its web search engine : this is an heuristic choice to balance fast convergence and pertinence of the results
\cite{langville_meyer_2004}. In fact, the smaller the constant
$\alpha$ is, the better the structure of the original graph is
preserved, while the greater $\alpha$ is, the faster the PageRank
converges.
Then, one can finally define the Google importance vector, using the Google matrix :
\begin{definition}[Google importance vector]
Let $\mathcal{G}=(V,E)$ the directed input graph. The Google
importance vector is the Perron-vector of the Google Matrix of
$\mathcal{G}$.
In other words, the Google importance vector is defined as being the only unit left row eigenvector associated to the eigenvalue equal to 1 of the Google Matrix. Ie I is the only vector so that:
\begin{equation}
IG = I
\end{equation}
Since the Google matrix is irreducible, it has only one eigenvalue equal
to 1 and $I$ is well defined.
\end{definition}
Finally, the classical PageRank algorithm performs the following
steps:
\begin{enumerate}
\item Choose a starting vector $x^{(0)}$ (generally,
$x^{(0)} = \mathbb{1}/n$ where $\mathbb{1}$ is the vector filled
with ones).
\item While $\|x^{(k)T} - x^{(k-1)T}\| < \epsilon$ (ie while the
algorithm has not converged), perform the following update
\begin{equation*}
x^{(k)T} = x^{(k-1)T} G
\end{equation*}
\item Output $x$.
\end{enumerate}
There are some ways to reduce the computational cost of the update operation : since the input transition matrix $P$ is sparse and the Google matrix being a linear combination of $P$ and a constant matrix - the update operation scales as
$\mathcal{O}(nnz(P)) \simeq \mathcal{O} (n)$ where $nnz(P)$ is the
number of non-zero components of P. See \cite{langville_meyer_2004}
for more details on the explicit computation and optimisation of the
classical PageRank algorithm.
\subsection{Quantum PageRank}
Over the past years two main directions have been taken to adapt the PageRank algorithm to the Quantum domain.
The first direction was taken in \cite{garnerone_zanardi_lidar_2012}, proposing polynomial computational improvements over its classical counterpart, but this method does not use Quantum Walks to improve the ranking performance.
A second one, \cite{paparo_2014,
paparo_muller_comellas_martin-delgado_2013,
sanchez-burillo_duch_gomez-gardenes_zueco_2012,
loke_tang_rodriguez_small_wang_2016,
paparo_martin-delgado_2012}, studied the influence of Quantum Random Walks on the PageRank algorithm rankings. This approach exploited Quantum Walk properties such as quantum state interference, which heavily modifies the walker probability
distribution on the state graph \cite{kempe_2009} and revealed the graph structure more precisely \cite{paparo_2014,
paparo_muller_comellas_martin-delgado_2013,
loke_tang_rodriguez_small_wang_2016}. These algorithms were essentially designed to produce classical simulations of discrete quantum walks, hence did not provide significant improvements in comparison with the classical random walk based solutions.
\section{Quantum PageRank using the HHL algorithm.}
Here we present our first application: adapting the quantum adiabatic algorithm for search engines introduced by Gamerone, Zanardi and Lidar in 2012 \cite{garnerone_zanardi_lidar_2012} to PageRank. To our knowledge this application has never been proposed so far. The linear system formulation of PageRank presented here possesses several interesting properties that makes it particularly suitable to be solved by the HHL algorithm \cite{Harrow_2009}. Our contribution presents a quantum circuit algorithm that prepares a quantum state corresponding to the Google importance vector, which has multiple interesting applications (some of them inspired from \cite{garnerone_zanardi_lidar_2012}). In addition providing a circuit based quantum PageRank algorithm is interesting as it can be easily used as a subroutine for more complex algorithms.
\subsection{Problem statement}
\subsubsection*{Inputs:}
The personalized Google matrix is used as input:
$G = \alpha P + \frac{(1-\alpha)}{N} e v^T$ where $P$ is the stochastic
transition matrix of a dangling node free graph, $\alpha$ is a
constant and $v \in \mathbb{R}^{+}$, so that $v^T e = 1$ is the
personalization vector.
For a correct performance of our algorithm, $P$ must be a \textit{s-sparse} matrix. To satisfy this requirement, the dangling node removal procedure must not produce dense rows in the dangling free transition matrix. For this purpose, we choose to follow the \textit{Weak Preferential PageRank} methods when handling with dangling nodes :
\begin{itemize}
\item \textit{Sink Preferential PageRank} : we apply the
transformation $P \rightarrow P + diag(c_i)$, where
$c_i = 1 \mbox{ \textit{iff} $i$ is a dangling node}$. This amounts for the walker to wait on the dangling node with probability $\alpha$, and let the walker go to another node following the personalization vector
$v$ with probability $1 - \alpha$.
\item \textit{Node reversal Preferential PageRank} : we apply the
transformation
$P \rightarrow P + diag(c_i) (\beta P^{T_stoch} + (1-\beta)Id)$,
with $\beta$ a constant. This amounts for the walker to jump back to a node that points towards the dangling node with a probability $\alpha\beta$,
to stay on the dangling node with probability $\alpha(1-\beta)$ or
to leave the node following the teleportation vector with probability
$(1-\alpha)$.
\end{itemize}
These dangling node removal methods preserve the sparsity of the input matrix. The first method increases the score of the dangling nodes in comparison to the \textit{Strongly preferential PageRank} method, the second one increases the score of the nodes linked to the dangling nodes. It must be emphasized that these methods do not seem to modify significantly the global PageRank score since in most applications dangling nodes represent a very small proportion of the nodes of the graph (often bogus nodes
\cite{brin_page_1998}).
\subsubsection*{Resources:}
We assume that we have access to an efficient method to prepare the quantum state
$\ket{v} = \sum \frac{v_i}{\|v\|_2} \ket{i}$ and the oracle whose matrix
representation is $(I - \alpha P)^T$.
\subsubsection*{Outputs:}
Our algorithm outputs a final quantum state that represents the limit probability distribution of the Google matrix
$\ket{\pi} = \sum_i \frac{\pi_i}{\|\pi\|_2} \ket{i}$.
\subsection{Introduction to HHL}
The quantum algorithm for linear systems of equations was introduced by A. Harrow, A. Hassidim and S. Lloyd in 2009 in their paper
\cite{Harrow_2009}.
Given a linear system $Ax = b$ where $A$ is a
$n \times n$ s-sparse hermitian matrix. The HHL algorithm prepares the solution $x$ in a quantum state $\ket{x}$ using
$\mathcal{O}(\frac{log(N) s^2 \kappa^2}{\epsilon})$ quantum gates, where $\kappa$ is the conditioning number of $A$.
For the case where the matrix $A$ is not hermitian (the case for PageRank), one can solve the extended linear system
$\begin{pmatrix} 0 & A \\ A^T & 0 \end{pmatrix} \hat{x} = \hat{b}$,
where $\hat{b} = \begin{pmatrix} b \\ 0 \end{pmatrix}$ and
$\hat{x} = \begin{pmatrix} 0 \\ x \end{pmatrix}$. The computational
complexity remains the same as the eigenvalues of
$C = \begin{pmatrix} 0 & A \\ A^T & 0 \end{pmatrix}$ are the same as those of
$A$, each eigenvalue of $A$ appearing twice in the eigendecomposition of $C$.
This algorithm has important applications in several fields of Physics and Computer Science such as Electromagnetism
\cite{Clader_2013} or Quantum Machine Learning \cite{Zhao_2019}.
\subsubsection*{Application to the PageRank algorithm}
Interestingly the PageRank formalism is surprisingly well
adapted to the HHL algorithm.
Let $\pi$ be the limit probability distribution vector, one has the following equalities:
\begin{align}
&\pi G = \pi \\
&\Leftrightarrow \pi (\alpha P + (1-\alpha) ev^T) = \pi \\
&\Leftrightarrow \pi (Id - \alpha P) = (\alpha - 1) \pi e v^T \\
&\Leftrightarrow \left\{ \begin{array}{c}
(Id - \alpha P)^T \pi^T = (\alpha - 1) v \\
\pi e = 1
\end{array} \label{eq:linear_system_formulation} \right.
\end{align}
Using the fact that $\pi e = 1$. The last equation
\ref{eq:linear_system_formulation} corresponds to the linear system PageRank formulation. This formulation is equivalent to the popular eigensystem formulation used in classical approaches \cite{langville_meyer_2004, gleich_2015}.
The linear system \ref{eq:linear_system_formulation} presents the following property relevant for the HHL
algorithm :
\begin{propriete}[Condition number of the Linear system formulation of the PageRank \cite{langville_meyer_2004}]
The condition number $\kappa_\infty(PageRank)$ of $(Id - \alpha P)$, is entirely determined by $\alpha$:
\begin{equation}
\kappa_\infty(PageRank) = \frac{1+\alpha}{1-\alpha}
\end{equation}
\end{propriete}
Note that as the $(I - \alpha P)$ row's sum is
$(1-\alpha)$ so the maximum eigenvalue of $(I - \alpha P)$ is
$(1 - \alpha)$ (consequence of the Gershgoring theorem applied to stochastic matrices). As the eigenvalues of
$C = \begin{pmatrix} 0 & A \\ A^T & 0 \end{pmatrix}$ are the same as
those of $A$, and the eigenvalues and singular values of $C$ coincide, the minimum singular value of $C$ is
$\sigma_{min} = \frac{(1-\alpha)^2}{(1+\alpha)}$.
To apply the HHL algorithm, one needs to rescale the matrix $(I-\alpha P)$ by the
$(\frac{1}{1-\alpha})$ factor so that every singular value of $C$ lies between $\frac{1}{\kappa}$ and $1$.
We can then state the theoretical complexity for our PageRank vector computation :
\begin{prop}[Gate complexity of the Circuit Based Quantum PageRank]
Providing an efficient oracle access to the matrix
$\frac{1}{1-\alpha}(Id - \alpha P)^T$, of size $N\times N$ and
sparsity $s$, and the personalized vector $v$, the circuit based quantum PageRank algorithm can prepare the state $\ket{\pi}$ with precision $\epsilon$, in the runtime
$\mathcal{O}(\frac{log(N) s^2}{\epsilon})$.
\end{prop}
\subsection{Algorithm Major Steps and Applications}
\begin{figure}
\centering
$\begin{array}{c}
\Qcircuit {
\lstick{D : \ket{0}} & \qw & \qw & \qw & \multigate{2}{\mbox{Eigenvalue Inversion}} & \qw & \meter \\
\lstick{C : \ket{0}_{n_l}} & {/} \qw &\qw & \multigate{2}{QPE} & \ghost{\mbox{Eigenvalue Inversion}} & \multigate{2}{QPE^\dagger} & \qw \\
\lstick{B : \ket{0}_{n_a}} & {/} \qw & \multigate{1}{Load \ket{v}} & \ghost{QPE} & \ghost{\mbox{Eigenvalue Inversion}} & \ghost{QPE^\dagger} & \qw\\
\lstick{A : \ket{0}_{n_b}} & {/} \qw & \ghost{Load \ket{v}} & \ghost{QPE} & \qw & \ghost{QPE^\dagger} & \rstick{\ket{\pi}} \qw \gategroup{1}{4}{4}{6}{.7em}{--} \\
& & & & \dstick{\mbox{\textit{Repeat until sucess}}} \cwx & &}
\end{array}$
\bigskip
\caption{The Quantum Circuit to prepare the Google matrix Probability Limit Distribution}
\label{fig:quantum_circuit_algo_2}
\end{figure}
The Quantum circuit used in this algorithm is detailed in figure
\ref{fig:quantum_circuit_algo_2}. An exhaustive description of the steps of the HHL algorithm can be found in \cite{Harrow_2009, Pan_2014} and on the Internet \cite{qiskit_hhl}.
The use cases developed by \cite{garnerone_zanardi_lidar_2012} for their Adiabatic Quantum Computing method - ranking the top nodes and comparing successive PageRanks - can be analysed with our quantum circuit. However, compared to
the method in \cite{garnerone_zanardi_lidar_2012}, which scales polylogarithmically with $N$ and in
$(\frac{1}{\epsilon^2})$, our method has a time complexity of
$\mathcal{O}(\frac{log(n)}{\epsilon})$ for a $\mathcal{O}(1)$ sparse input graph
(which is often the case for web graphs) - providing efficient quantum state generation and quantum data access.
Using our method, followed by quantum (interactive) amplitude estimation, one can determine
the amplitude of a given component of $\ket{\pi}$ with precision
$\epsilon$, \cite{grinko_gacon_zoufal_woerner_2021, brassard_hoyer_mosca_tapp_2002}, which is quadratically faster than the classical MCMC algorithm.
\section{A short introduction to the directed graph Fourier Transform.}
\label{sec:SGTIntro}
In the next sections, we will study potential applications of quantum computing related to Spectral Graph theory, using the Quantum Singular Value Transformation to compute graph signal filters by the Graph Fourier Transform. In this section, we will introduce topics of Spectral Graph Theory for directed graphs that will be thoroughly used in the following sections of the paper.
\subsection{Transposition of classical Fourier Analysis to Spectral graph Theory.}
We will introduce Spectral Graph Theory (SGT) for directed graphs using Markov Chains, in a similar way as proposed recently in
\cite{sevi2019}. Previous approaches in
\cite{sandryhaila_moura_2014, sardellitti_barbarossa_lorenzo_2017}
yielded interesting yet less exhaustive extensions as
they introduce either non-closed form expressions for \textit{Graph
Fourier Transform} \cite{sardellitti_barbarossa_lorenzo_2017}, or
do not well include approaches on undirected graphs
\cite{sandryhaila_moura_2014}.
Moreover, the approach in \cite{sevi2019} is interesting because it
incorporates the Random Walk framework that was already used in our subsection
\ref{subsubsec:Theo_prepreq}, and nicely defines the Graph Fourier Transform within this context.
The important notions for SGT of \textit{Lazy Markov Chains, Time-Reversed Markov Chain, Reversible Markov chain, additive reversibilisation and random walk laplacian} are all explained in \cite{sevi2019}.
\subsubsection{A new approach of Graph Fourier Transform}
\textit{We suppose given a Markov
chain $C$, on a graph $G=(V,E)$ with a probability transition matrix
$P$. We define $\hat{P}_\alpha = \frac{\alpha P + (1-\alpha) P^*}{2}, \alpha \in [0,1]$, where $P^*$ is the transition matrix associated with the time reversed version of $C$. We also note $\hat{P} = \hat{P}_{1/2}$}
Let's define a directed graph Fourier Transform, slightly different from the one introduced by the authors in \cite{sevi2019}, as they
make the assumption that $P$ is diagonalizable. We have chosen to provide a more flexible extension of this definition to non diagonalizable transition matrices by using the SVD decomposition.
\begin{definition}[Directed Graph Fourier Transform]\label{def:directed_graph_fourier_transform}
Let $P$ be the transition probability matrix of a given regular
Markov Chain $C$ on a graph $G=(V,E)$. We assume that $P$ is aperiodic (otherwise one can use $\bar{P} = \nicefrac{Id + P}{2}$).
Any $\hat{P}_\alpha, \alpha \in [0,1]$ admits a Singular Value Decomposition. The SVD basis of $\hat{P}_\alpha$ is called the $\Xi_\alpha$ Fourier Basis of $C$. Please note that the SVD and the eigendecomposition coincide for $\alpha = \nicefrac{1}{2}$.
Let $\phi$ a signal on G, and $\Xi_\alpha$ a Fourier Basis. The
$\alpha$-Fourier Transform of $\phi$, noted $\hat{\phi}_\alpha$ is
defined by :
\begin{equation}
\hat{\phi}_\alpha = \Xi_\alpha^{-1} \phi
\end{equation}
And the inverse Fourier Transform is :
\begin{equation}
\phi = \Xi_\alpha \hat{\phi}_\alpha
\end{equation}
\end{definition}
The $\alpha = 1/2$ case is particularly
interesting. Let's note $\pi$ the limit distribution of $C$ and define the following scalar product on $l^2(V, \pi)$, $<.>_{\pi}$ : $$(f, g) \rightarrow \sum_{v\in V} f^*(v)g(v)\pi(v)$$
Since $\hat{P} = \frac{P + P^*}{2}$ is self adjoint for the operation $<.>_{\pi}$, it is a diagonalizable operator and admits a $<.>_{\pi}$
orthonormal basis of eigenvectors $\Xi_{1/2}$ for $\hat{P}$ which is coincides with the SVD of $\hat{P}_{1/2}$.
This basis is also an eigenvector basis of $\mathcal{L}^{rw}$ - the random walk laplacian of $G$ - which elegantly draws a parallel with the classical Fourier analysis, as
well as the SGT framework for directed graphs \cite{sevi2019}.
\subsubsection{Frequency Analysis of the directed Graph Fourier Transform}
H. Sevi, G. Rilling, P. Borgnat in \cite{sevi2019} have introduced
several tools to interpret the frequencies of the Graph Fourier
Transform.
Throughout this section, one will mainly focus on the Fourier Basis
$\Xi_{1/2}$ and if not precised otherwise, one will drop the $1/2$
index to simplify the notations. If $\alpha \neq 1/2$, we lose the direct link between SVD and eigendecomposition that can be used to give intuitive energetic interpretations to the eigenvectors of the Fourier basis.
\paragraph{Smoothness of Signals on graphs:}
Graph signals smoothness or regularity are fundamental notions for SGT: the main objective of graph signal processing is to decompose signals on a basis of waves with different frequencies, or varying regularity. The higher the frequency of a
wave, the lower its smoothness or regularity. We refer to \cite{sevi2019} for more details on how to evaluate the smoothness of graph signals, and specially for the notions of \textit{Rayleigh quotient and Dirichlet energy}.
\paragraph{Frequency Analysis on directed graphs:}
One major contribution of \cite{sevi2019} was the introduction of a
meaningful frequency interpretation that links the directed graph
Fourier Basis to the Rayleigh Quotient values. Here we introduce the
relation between the two notions:
\begin{prop}[Rayleigh Quotients for the Fourier Basis vectors \cite{sevi2019}]\label{prop:frequencies_rayleigh}
Given a $\Xi_{1/2} = (\xi_1, \hdots, \xi_n)$ Fourier basis of
$\hat{P}$, associated with the eigenvalues
$(\lambda_1, \hdots, \lambda_n)$ of $\hat{P}$. One has the
relation :
\begin{equation}
\forall i \in [|1, n|], \ \mathcal{R}_{\pi, \hat{P}}(\xi_i) = 1 - \lambda_i
\end{equation}
with $\Re(\lambda_i)$ being the real part of the vector $\lambda_i$.
This equation yields an explicit relation between the smoothness of an
eigenvector $\xi_i$ of the Fourier Basis, and its corresponding
eigenvalue.
One can also write that for every $\xi_i \in \Xi_{1/2}$ there exists a
$\rho_i$, eigenvalue of $\mathcal{L}^{rw}$ such that:
\begin{equation}
\mathcal{R}_{\pi, \hat{P}}(\xi_i) = \rho_i
\end{equation}
This relation links the random walk Laplacian eigenvalues to the
Rayleigh Quotients of the Fourier Basis vectors - extending the intuitive link between Fourier basis vectors and energy, stemming from classical Signal processing.
\end{prop}
Let's remind here that the eigenvalues of $\hat{P}$ and
$\mathcal{L}^{rw}$ are real numbers because the eigenvalues of a self adjoint operator are real \cite{hoffman_kunze_1962}, Ed n°2, p.312.
One has then to define a framework that still respects the directedness of the graph $P$ in addition to incorporate the theory introduced by
\cite{shuman_narang_frossard_ortega_vandergheynst_2013,
ricaud_borgnat_tremblay_goncalves_vandergheynst_2019} for undirected
graphs. The proposition \ref{prop:frequencies_rayleigh} is very importance to understand the intuition behind SGT : the smoothness of a given eigenvector $\xi_i$ of the Fourier basis is directly related to the Random Walk eigenvalue associated with $\xi_i$. Hence, drawing a parallel with the classical Fourier Analysis framework, the eigenvalues of the Graph Laplacian can be interpreted as frequencies since the eigenvectors of the Fourier Basis associated with large eigenvalues vary rapidly (their \textit{Rayleigh quotient} is high).
However, one must note that in our case the eigenvalues of the Laplacian are not necessarily distinct. This situation is prohibited in a classical setting since the eigenfunctions of the Laplacian are represented by the functions
$e^{iyx}$ which always correspond to different eigenvalues.
\paragraph{Graph Kernels:} \label{par:graph_kernel}
The paper \cite{shuman_narang_frossard_ortega_vandergheynst_2013} uses the
notion of Graph Kernels. Given a Graph Fourier Transform Basis
$\hat{P}_\alpha$, a graph Kernel is a vector defined directly in the
Graph Fourier space.
One important example of Graph Kernel is the signal $\hat{\phi} = (e^{-\lambda_1 t}, e^{-\lambda_2 t}, \hdots, e^{-\lambda_n t})$, $t \in \mathbb{R^+}$, where $\lambda_i$ are the eigenvalues of $\hat{P}_\alpha$.
$\hat{\phi}$ is called the \textit{heat Kernel} in direct reference to the Heat equation - we will now designate the \textit{heat Kernel} by $\mathbb{H}$.
Hence, given a graph $G=(V,E)$, a direct transposition of this
equation to the directed graph setting is :
$\partial_{t} \phi = - \mathcal{L}^{rw} \phi$. Let $\Xi_\alpha$ be a
Fourier Basis of $G$ ; a solution of this equation, given an initial
condition $\phi(i,0), \forall i \in V$ and $t \in \mathbb{R}^+$ is
given by
$\phi(i, t) = (\Xi_\alpha \times (e^{-\lambda_1 t}, e^{-\lambda_2 t},
\hdots, e^{-\lambda_n t})^T)_i \ \phi(i, 0)$.
One can then understand the origin of the Heat Kernel : the solution
of the Heat equation is the reverse Fourier Transform of the Heat
Kernel multiplied by an initial condition.
\section{Graph Fourier Transform Quantum Algorithms}
\label{sec:quantumGFT}
\textit{Throughout this section, we will assume given an input directed weighed graph $\mathcal{G}=(V,E,W(E))$ and its associated transition matrix $P$.}
In this section, we introduce a Quantum Algorithm - based on the Quantum Singular Value Transformation - that may be used to prepare a
quantum state that reproduces a wide range of signal graph filters and inverse graph Fourier transforms. The generalized PageRank theory introduced in section
\ref{sec:SGTapplicationToPR} is derived as a particular application
of our algorithm which has a vast range
of applications in SGT (\cite{chung_1997,
ricaud_borgnat_tremblay_goncalves_vandergheynst_2019,
shuman_narang_frossard_ortega_vandergheynst_2013, sevi2019}).
\subsection{Graph Fourier eigenbasis filtering based on Quantum SVT.}
\subsubsection{Elements of Singular Value Transformation}
\paragraph{Singular Value Transformation:}
In \cite{gilyen_su_low_wiebe_2019}, A. Gilyén et al define the
Singular Value Transformation as :
\begin{definition}[Singular Value Transformation]
Let $P \in \mathbb{C}[X]$ be a polynomial and $A$ an operator, whose
SVD is $A = W\Sigma V^\dagger$.
Then the $P$-Singular Value Transformation of $A$ is the
transformation:
\begin{equation}
P^{(SV)}(A) := \left\{ \begin{array}{cc}
WP(\Sigma)V^\dagger & \mbox{if P is odd} \\
VP(\Sigma)V^\dagger & \mbox{if P is even}
\end{array} \right.
\end{equation}
\end{definition}
This definition of Singular Value Transformation, relies on the
notion of \textit{projected unitary encodings}:
\begin{definition}[Projected unitary encodings/Block encodings
\cite{gilyen_su_low_wiebe_2019}]
Let $\widetilde{\Pi}$ and $\Pi$ be orthogonal projectors, $U$ a unitary
and $A$ any real operator, we say that $(\widetilde{\Pi}, \Pi, U)$
form a projected unitary encoding of $A$ \textit{iff} :
\begin{equation}
A = \widetilde{\Pi} U \Pi
\end{equation}
From now on, to avoid confusion with the limit probability
distribution $\Pi$, we choose to use the letter $R$ to represent
projected unity encodings - modifying the notations used in
\cite{gilyen_su_low_wiebe_2019}.
In the next section, we use a particular case of Unitary
Encoding: Block encodings.
Suppose $A$ is a s-qubit operator, $\alpha, \epsilon \in \mathbb{R}_+$
and $a \in \mathbb{N}$. We say that the $(s+a)-qubit$ unitary $U$ is an
$(\alpha, a, \epsilon)$-block encoding of $A$ if :
\begin{equation}
\|A - \alpha(\bra{0}^{\otimes a} \otimes I) U (\ket{0}^{\otimes a} \otimes I) \| \leq \epsilon
\end{equation}
In other words, the top left block of the matrix $U$ is an
$\nicefrac{\epsilon}{\alpha}$-close approximation of
$\nicefrac{A}{\alpha}$.
\end{definition}
These projected unitary encodings are used to bridge between quantum unitary operators ($U$) and classical operators ($A$). In fact, if $(\widetilde{R}, R, U)$ forms a projected unitary encoding of $A$. Quantum circuits will act on the unitary operator $U$and its changes will reflect the Singular Value Transformation on $A$ via the orthogonal
projections $\widetilde{R}$ and $R$. In other words, given a degree-$d$
odd polynomial, bounded by the absolute value 1 on the intereval [-1, 1], the singular value transformation performs the operation :
\begin{equation}
A = \widetilde{R} U R \rightarrow P^{SV}(A) = \widetilde{R} U_{\phi} R
\end{equation}
Where the unitary $U_\phi$ can be implemented with a circuit using $U$
and its inverse $d$ times. In the case where $P$ is even, the same
result holds, replacing $\widetilde{R}$ by $R$.
These are powerful results, as shown in
\cite{gilyen_su_low_wiebe_2019} where the authors propose several use cases of their Quantum Singular Value Transformation while featuring near optimal complexity for every algorithm. Application fields include
Quantum Walks, Matrix Arithmetics, Quantum Machine Learning and Quantum Language Processing. Our paper will use this Singular Value Transformation to provide a powerful framework in order to implement a wide
range of inverse graph Fourier Transforms in one of the very first Quantum based Spectral Graph Theory algorithms. As a direct application, we will show in the next section \ref{sec:SGTapplicationToPR} how to derive a Quantum Graph Fourier Transform based PageRank algorithm.
\subsubsection{On Graph Frequency-Based inverse Fourier Transform}
Our algorithm is able to solve the following problem :
\paragraph{Input:}\label{par:algo_1_inputs} Let $C$ be the regular Markov Chain on the Graph $\mathcal{G}$ with transition
matrix $P$ and let $(u_1, \hdots, u_n)$ be its Fourier Basis
associated with eigenvalues $(\lambda_1, \hdots, \lambda_n)$. Let
$h: \mathbb{R} \rightarrow \mathbb{R} $ a real sequentially continuous
function. For every $\epsilon > 0$, $h$ admits an $\epsilon$-close
Polynomial approximation by a polynomial $Q$ of degree $d(\epsilon)$,
such that $\forall x \in [-1,1], \|Q(x)\|< \nicefrac{1}{2}$. Let
$h(\lambda_i)_{i\in [1, n]}$ a graph Kernel defined by :
$h(\lambda_i)_{i\in [1, n]}=(h(\lambda_1), \hdots, h(\lambda_n))$
\paragraph{Output:} The quantum state $\ket{\psi_o}$ representing the
inverse graph Fourier transform of $h(\lambda_i)_{i\in [1, n]}$, as
defined in \ref{def:directed_graph_fourier_transform} :
\begin{equation}
\ket{\psi_o} = \sum_{i \in [1,n]} \Tilde{h}(\lambda_i) \ket{u_i}
\end{equation}
Where $\|\Tilde{h} - h\|_{[0,1]} < \epsilon$.
\paragraph{On the necessity for a QRAM structure:}
All these methods suppose to possess an efficient access to a quantum memory (QRAM for instance) being able to represent classical data in a quantum state.\label{rmq:QRAM_assumptions}
The paper \cite{giovannetti_lloyd_maccone_2008} introduced a Bucket Brigade QRAM
structure which can provide and store classical information
in $\mathcal{O}(poly-log(n))$ complexity. However, this structure does not seem to provide a sufficient stability to guarantee
constant error prediction for sub-linear complexity quantum based algorithms (see
\cite{arunachalam_gheorghiu_jochym-oconnor_mosca_srinivasan_2015} for
more detailed explanations). Other data structures were introduced since the Bucket Brigade version, see
\cite{park_petruccione_rhee_2019} for instance.
One must emphasize that the complexity results depend heavily on the regularity of the function $h$. Indeed, the algorithm time complexity depends directly on the degree of a polynomial approximation of $h$. We will
propose a detailed analysis of the complexity of our quantum algorithm in \ref{subsubsec:algo_1_complexity}.
\subsubsection{Quantum SVT major steps.}
Here are the major steps of our Graph Fourier Transform computational method. We are given a regular and reversible transition matrix $P$,
and define $\mathcal{P} := \Pi^{1/2} P \Pi^{-1/2}$, where $\Pi$ is the
probability limit distribution of $P$. $\mathcal{P}$ is decomposed as
$\mathcal{P}= U \Sigma U^T$ using SVD : indeed, since $P$ is regular,
$\mathcal{P}$ is symmetric and the SVD of $\mathcal{P}$ is exactly its
eigendecomposition.
\textbf{Step 1 :} - We suppose being given $2b = 2 log_2(N)$ initial
qubits in the state $\ket{0}_A \ket{0}_B$, in this way the register $A$ and
the register $B$ contain both exactly $b$ qubits. Prepare the initial
quantum state
$\ket{\psi_P}=\sum \mathcal{P}_{i,j} \ket{i}_A \ket{j}_B =
\sum_{k=1}^T \sigma_k \ket{u_k}_A \ket{v_k}_B$, in the same way as proposed in
\cite{lin_bao_zhang_li_wang_2019} and
\cite{duan_yuan_liu_li_2018}. The preparation of this initial state can be performed by adressing a QRAM where one can retrieve the values of
$\mathcal{P}_{i,j}$ for state preparation.
\textbf{Step 2 :} - Let $(\bra{0} \otimes Id, \ket{0} \otimes Id, U) $
be a unitary encoding of $\mathcal{P}$ such that
$$(\ket{0}\bra{0} \otimes Id) U (\ket{0}\bra{0} \otimes Id)
= \begin{pmatrix} \mathcal{P} & 0 \\ 0 & 0 \end{pmatrix}$$
This step
consists in combining the results of \cite{gilyen_su_low_wiebe_2019}
to build circuits that can produce the polynomial transformations
$T_i^{SV}(\mathcal{P}) = \widetilde{R} U_{\phi_i} R$. Then, one can
use the block matrix arithmetic results (Lemma 53 of
\cite{gilyen_su_low_wiebe_2019}) to build successions of block
encoding unitaries - since $T(\mathcal{P}) = U T(\sigma) U^T$,
applying two successive polynomials $T_1$ and $T_2$ to $\mathcal{P}$
amounts to applying directly the product $T_1 \times T_2$ to
$\mathcal{P}$. Here one only needs to use the product of two block
encoding unitaries: the first one encoding a polynomial approximation
of the inverse function on $[-1,1]$, the second one encoding any
polynomial Q of degree d bounded by $1/2$.
\begin{itemize}
\item \textbf{First unitary: inverse function approximation}. Since
the matrix $\mathcal{P}$ is non singular, there exist a $\delta>0$
such that
$\forall x \in [-\delta, \delta], x \not\in Sp(\mathcal{P})$ where
$Sp(\mathcal{P})$ is the spectrum of $\mathcal{P}$. Then, according
to the \textit{Corollary 69} of \cite{gilyen_su_low_wiebe_2019},
there is an odd polynomial $L \in \mathcal{R}[X]$ of degree
$\mathcal{O}(\nicefrac{1}{\delta} log(\nicefrac{1}{\epsilon})$ that
is $\epsilon-approximating$ the function
$f(x) = \frac{3\delta}{4 x}$ on the domain
$I = [-1, 1] \setminus [-\delta,
\delta]$. \cite{gilyen_su_low_wiebe_2019} gives a method to build
recursively the polynomial $P$. Then using Quantum Singular Value
Transformation, one can build the operator $U_{\phi}$ such that
$$(\ket{0}\bra{0} \otimes I)U_{\phi}(\ket{0}\bra{0} \otimes I)
= \begin{pmatrix} L^{(SV)}(\mathcal{P}) & 0 \\ 0 & 0 \end{pmatrix}$$
\item \textbf{Second unitary : $h$ function approximation}. We apply
Hermitian Quantum Singular Value Transformation (Theorem 56) from
\cite{gilyen_su_low_wiebe_2019} to build the operator $U_{\phi}$ so
that
$$(\ket{0}\bra{0} \otimes I)U_\phi (\ket{0}\bra{0} \otimes I)
= \begin{pmatrix} Q^{(SV)}(\mathcal{P}) & 0 \\ 0 & 0 \end{pmatrix}$$.
\item \textbf{Patching up : multiplication of the previous encodings.}
The multiplication theorem of \cite{gilyen_su_low_wiebe_2019}
provides a final unitary encoding of $T(\mathcal{P}) L(\mathcal{P})$
: $\widehat{U}$.
\end{itemize}
\textbf{Step 3:} - Apply $\widetilde{R}\widehat{U} R$ to the register
$B$. The system state is now
$\ket{\psi_3} = \sum_i Q(\lambda_i) \ket{u_i}\ket{u_i}$.
\textbf{Step 4:} - Uncompute the register B. This can be done without
the need of external ancilla qubits, by only applying CNOT gates to every pair of qubits from register $A$ and $B$. After the operation, the register $B$ will be in the pure quantum state $\ket{0}_B$ and one can uncompute
it by measurement.
\textbf{Step 5 :} The final quantum system state is
$\ket{\psi_f} = \sum_i Q(\lambda_i) \ket{u_i}$.
\subsubsection{Detailed explanation of the main steps of the algorithm.}\label{subsubsec:algo_1_explanation}
This algorithm relies on the following property: for
normal semi-definite matrices the eigendecomposition and SVD
coincide. Hence, reversible transition matrices $P$ being adjoint
operators in the space $l^2(V, \pi)$, the operator
$\mathcal{P} = \Pi^{1/2} P \Pi^{-1/2}$ is an adjoint operator in the
classical $l^2(V)$ space, equipped with the standard inner product -
ie $\mathcal{P}^* = \mathcal{P}^T = \mathcal{P}$. The whole framework developed in section
\ref{sec:SGTIntro} then directly applies to the SVD of $\mathcal{P}$,
which explains how one can simply identify the singular values to
eigenvalues and eigenvectors to singular vectors for the matrix
$\mathcal{P}$.
Our algorithm also applies to non-reversible transition matrices,
however one looses some of the properties introduced in section \ref{sec:SGTIntro}:
we discuss the non reversible case in
\ref{subsubsec:algo_1_extensions}.
For \textbf{Step 2}, the polynomial $T$ can represent a wide range of
functions. We are going to give several examples of Kernel functions