𝚯 = θ _ij _(i,j)∈V×V:= { θ _i, i=j, θ _ij, (i,j)∈E, 0, (i,j)/∈E. These coefficients physically correspond to the coupling terms between the qubits, θ i j , and the so-called local fields, θ i , on the corresponding vertices.
The matrix σ 3 has two eigenvalues corresponding to the binary states of the qubit, { − 1 , 1 } , and thus, the system ( 2 ) has the spectrum of eigenvalues corresponding to all possible values of the cost function given by the energy of the well-known Ising model :
= E ( Θ , z ) + ∑ ∈ i V θ i z i ∑ ∈ ( i , j ) E θ i j z i z j , z = ( z i ) ∈ i V ∈ Z = { - 1 , 1 } n .
Thus, the annealing procedure takes the system to the ground state whose corresponding spin configuration is
where 𝒛 ⋆ is the optimal solution of the optimization problem encoded into the parameters of the Hamiltonian H I s i n g ( 𝚯 ) defined in ( 2 ).
Given a problem, the QA is initialized by a suitable choice of the weights 𝚯 and the binary variables z i ∈ { − 1 , 1 } are physically realized by the outcomes of measurements on the qubits located in the vertices V . Thus, since 𝚯 is symmetric, the optimization problem is specified by n ( n − 1 ) / 2 real parameters satisfying some architectural constraints of a quantum machine,
for all ( i , j ) ∈ E and some finite positive Δ , say, 1. In order to solve a general optimization problem by QA, one needs to obtain the correct encoding of the objective function in terms of the cost function 𝖤 ( 𝚯 , 𝒛 ) which is hard in general.
Now we present the TEHQO scheme, a guided meta-heuristic approach designed specifically to solve optimization problems without the need of representing a problem into the quantum architecture a priori. This idea generalizes both the QALS approach to solve QUBO problems using QA, suggested in (pastorello2019quantum, ) , and AQCLS approach applicable in AQC environment, described in (pastorello_learning_2021, ) . Below we address this generalization by explaining the key idea in QALS and inspiration from AQCLS.
The key idea of the QALS is to enhance the QA by adding the so-called tabu matrix 𝑺 to the weight matrix 𝚯 of the coefficients of H I s i n g so as to penalize the solutions already visited and prevent a redundant search in the solution space. The matrix is constructed in additive way using the set of k already visited (worst) solutions { 𝒛 j } j = 1 , … , k with the help of a function
= m ( z ) + - z z T I n diag ( z ) , ∈ z Z ,
(5)
where diag ( 𝒛 ) constructs a diagonal matrix from a vector 𝒛 . Note that, by construction, the matrix 𝒎 ( 𝒛 ) is symmetric and, moreover,
The matrix 𝑺 is then constructed as the sum:
Due to ( 6 ), the tabu matrix 𝑺 introduces energetic penalties on the solutions { 𝒛 j } j = 1 , … , k in the spectrum of the Hamiltonian H I s i n g ( 𝚯 + 𝑺 ) .
Following the key idea of QALS, the TEHQO scheme is based on an iterative procedure of candidate solutions generation by reaching and measuring the ground state (by QA or AQC) of a parameter dependent problem Hamiltonian of the form
= H P ( α ) ( S ) + H ( α ) H I s i n g ( S ) ,
(8)
where H ( 𝜶 ) is a generic (arbitrary) Hamiltonian depending on the parameters 𝜶 which are updated along with the candidate solutions and H I s i n g is the Ising Hamiltonian used to enable the solution penalties by means of the tabu matrix 𝑺 . From the physical point of view, we can have a spin glass described by an Ising Hamiltonian on which we can act with controlled external fields in order to implement H ( 𝜶 ) . As a particular case, if
then we recover the QALS scheme and
In such a case, 𝜶 ≡ 𝚯 where 𝚯 is as given in ( 17 ).
Another example inspired by pastorello_learning_2021 is H ( 𝜶 ) realized by means of the transverse fields that presents the following form:
= H ( α ) + ∑ ∈ i V 1 α i σ ( i ) 1 ∑ ∈ ( i , j ) E 1 α i j σ ( i ) 1 σ ( j ) 1 ,
(10)
where σ 1 is the Pauli-X matrix
and the graph ( V 1 , E 1 ) can differ from the graph ( V , E ) of H I s i n g . Generally speaking, we do not require any specific constrain over the form of H ( 𝜶 ) that represents the class of Hamiltonians which can be physically implemented in a laboratory or can be efficiently simulated by suitable quantum circuits. As such, compared to QALS, the TEHQO scheme is not limited to QUBO problems, but it designed to solve arbitrary optimization problems considering a more general quantum architecture.
Within TEHQO scheme, the search is simultaneously performed among the candidate solutions 𝒛 (to find the optimum) and in the space of the parameters 𝜶 of the Hamiltonian H ( 𝜶 ) (to find the best representation of the problem in the space of parametrized Hamiltonians). The candidate solutions are obtained by means of the QC part, and suboptimal acceptance of the candidate solutions is allowed at the classical counterpart of the algorithm, so the classical part of the hybrid algorithm presents a SA-like structure. The rejected solutions are used to update the tabu matrix 𝑺 and new candidate solutions are generated, while the parameters 𝜶 of the Hamiltonian H ( 𝜶 ) are perturbed in temperature-dependent way, with decreasing temperature parameter. In this work we consider a randomized temperature-dependent function ξ T to modify the Hamiltonian parameters within the iterative structure of the proposed algorithm, which again is a generalization of the QALS scheme.
To finalize the comparison, we note that TEHQO provides a generalization of a specific AQCLS. In AQCLS the search within the family of available Hamiltonians is carried on randomly by Gaussian sampling of the parameters. Instead TEHQO considers a deformation function over the parameters which takes into the account the considered problem by the explicit dependence of ξ T on f . However, TEHQO presents a tabu Hamiltonian of Ising-type defined by means of the tabu matrix, instead AQCLS provides a general Hamiltonian defined by a tabu list.
The TEHQO scheme is presented in Algorithm 1 .
The QC procedure (say, QA or AQC) is run with parameters that are initialized by the randomized function ζ depending on the objective function f of the problem (lines 2, 3, 4), and the worst solution 𝒛 ′ is used to initialize the tabu matrix according to ( 7 ) (line 9). In the iterative structure, the temperature T is constant for a cycle of N iterations (line 13) and decreases according to the function h and the rate η at any N -th cycle (line 14). For instance, if h ( η , T ) = T − η then T decreases linearly, if h ( η , T ) = T − η T then T decreases exponentially. At each iteration (line 16) one of the two alternatives is taken, either (with probability q ) new parameters 𝜶 are generated perturbing 𝜶 ⋆ corresponding to the current best candidate solution using a temperature-dependent modification function ξ T which explicitly depends on f , or (with probability 1 − q ) 𝒛 ′ is sampled using a quantum random number generator, e.g. by measurement on the quantum superposed state. In the former case, the Hamiltonian H P ( 𝜶 ) ( 𝑺 ) is initialized and the QC procedure produces the new candidate solution 𝒛 ′ (line 16) that is tested (line 18-19). If 𝒛 ′ is better then it is accepted and the parameters are updated accordingly (line 20), else 𝒛 ′ is rejected or accepted as a suboptimal solution using SA-like scheme (line 23). Consequently, the tabu matrix is updated in either case (line 25). The Algorithm 1 terminates either if the maximum number i m a x of iterations is achieved, or the convergence to a solution of the optimization problem is stated (line 30).
Since the TEHQO is iteratively applied, the convergence of the procedure to the optimal solution 𝒛 ⋆ is usually proved by considering the convergence of the sequence of steady-state probabilities of non-homogeneous Markov chains modeling the sequences of candidate solutions obtained. However, due to ( 7 ), proving the Markovian nature of such a process is problematic, since the tabu matrix holds virtually unlimited memory of previous states. Thus, it is important to study the collisions in the tabu matrix 𝑺 . We address this issue in the next section.
3 Theoretical convergence
The convergence proof of the TEHQO scheme based on some properties of the SA-like structure implemented by the classical part of Algorithm 1 . In order to prove the algorithm convergence we consider the stochastic sequence of the candidate solutions obtained in the algorithm run. At the same time, we need to show finiteness of memory of the tabu matrix S .
In order to define the tabu matrices corresponding to the run of TEHQO algorithm, let us enumerate the state space. Let the n -dimensional column vector ∈ z ( i ) Z be i th element of the lexicographically ordered state space Z (this may be constructively defined as the n -digit binary representation of i in the binary alphabet { - 1 , 1 } ).
Consider now two independent runs of TEHQO algorithm. For each such a run encode the sequence of rejected solutions by a nonnegative integer sequence of length 2 n (irregardless of the order in which they appeared in the trajectory). For each such a sequence ∈ a Z + 2 n construct the matrix function S ( a ) using (7 ) and (5 ) in the following way:
= S ( a ) ∑ = i 1 2 n a i m ( z ( i ) ) .
(11)
The collision in the tabu matrix happens if = S ( a ) S ( b ) for a ≠ b ∈ Z + 2 n . Such collisions are solutions of a linear system
where O is the square zero matrix of dimension n and := x i - a i b i are the variables. Rewriting (12 ) in a vector-matrix form, obtain
where ∈ x Z 2 n is the (column) vector of componentwise differences of two trajectories and M is the × n ( + n 1 ) 2 2 n matrix containing columnwise the upper-triangular elements of matrices m ( z ( i ) ) , starting from the diagonal elements. As such, solution of the system (13 ) is a vector in the kernel of (11 ). In particular, if ∈ x Z + 2 n , then a sequence of states corresponding to x produces a zero tabu matrix after a non-zero number of iterations of the QA algorithmn, i.e. = S ( x ) O . Let us formally study the solutions of the system (13 ).
Now we recursively define a sequence of matrices, which allows us to establish the desired algebraic properties. Define the following × 2 k 2 - k 1 matrices for any ≥ k 1 :
:= S ( k ) [ I 2 - k 1 J 2 - k 1 ] , := A ( k ) [ - I 2 - k 1 J 2 - k 1 ] ,
(14)
where I 2 - k 1 and J 2 - k 1 are the identity matrix and the exchange matrix (matrix with unit vector over antidiagonal) of order 2 - k 1 respectively (conventionally I 0 = J 0 = 1 ). Construct the class S A ( n ) of × 2 n 1 matrices having the following form
where F ( k ) can be either S ( k ) or A ( k ) . In the following proposition we establish group properties of S A ( n ) .
Proposition 1 .
The following properties of S A ( n ) are true for any ⩾ n 1 :
1.
With the exception of S ( n ) ⋯ S ( 1 ) , any element of S A ( n ) contains the same number of −1 and 1, equal to 2 - n 1 .
2.
S A ( n ) equipped with the Hadamard (componentwise) product ∘ is an abelian group with the neutral element S ( n ) ⋯ S ( 1 ) and any element being the inverse of itself.
3.
The elements of S A ( n ) are orthogonal w.r.t. the Euclidean scalar product.
Proof: In the proof, we use induction on n .
(1) For = n 1 the group S A ( 1 ) contains only S ( 1 ) and = A ( 1 ) [ - 1 1 ] . Let (1) hold good for S A ( j ) , ≤ j n . Denote
where ∈ F ( k ) { S ( k ) , A ( k ) } for ≤ k + n 1 . Then since
S ( + n 1 ) v = [ v J 2 n v ] and A ( + n 1 ) v = [ - v J 2 n v ] ,
the statement (1) follows for + n 1 and the induction step follows.
(2) For = n 1 , we have
∈ ∘ S ( 1 ) S ( 1 ) , ∘ S ( 1 ) A ( 1 ) , ∘ A ( 1 ) S ( 1 ) , ∘ A ( 1 ) A ( 1 ) S A ( 1 ) ,
by definition (14 ). Let (2) hold good for S A ( j ) , ≤ j n . Denote
= v F ( n ) F ( - n 1 ) ⋯ F ( 1 ) , = w E ( n ) E ( - n 1 ) ⋯ E ( 1 ) ,
where ∈ E ( k ) , F ( k ) { S ( k ) , A ( k ) } , ≤ k + n 1 . Similarly to the proof of statement (1),
= F ( + n 1 ) v [ ± v J 2 n v ] , = E ( + n 1 ) w [ ± w J 2 n w ] ,
(15)
and hence
F^(n+1)v∘E^(n+1)w=
[ ±v∘w J 2 n (v∘w) ] ∈SA(n+1) holds by definition of S A ( n + 1 ) , since
= [ ∘ v w J 2 n ( ∘ v w ) ] S ( + n 1 ) ( ∘ v w ) ,
= [ - ∘ v w J 2 n ( ∘ v w ) ] A ( + n 1 ) ( ∘ v w ) ,
and finally v ∘ w ∈ S A ( n ) , which completes the induction step. It remains to note that the neutral element is given by 𝕊 ( n ) ⋯ 𝕊 ( 1 ) , whose entries are identically 1 , as a direct consequence of the definition of Hadamard product, and hence each element of the group is inverse of itself.
(3) As a consequence of (1) and (2) we have that the Euclidean scalar product between two distinct elements v and w of S A ( n ) is nothing but the sum of the entries of v ∘ w that presents an equal number of − 1 s and 1 s.
Now we consider the matrix 𝑴 of the linear system ( 13 ) and prove the following statement.
Proposition 2 .
The rows of M are transposed elements of a subset ⊂ S A M S A ( n ) .
Proof: Construct a 2 n × n matrix 𝑩 by columns B i , i = 1 , … , n , using specific vectors from the S A ( n ) group as follows:
= B i F ( n ) … F ( 1 ) , = F ( i ) A ( i ) , = F ( j ) S ( j ) , ≠ j i .
This means that 𝑩 by column consists of the column vectors 𝔸 ( n ) 𝕊 ( n − 1 ) … 𝕊 ( 1 ) , 𝕊 ( n ) 𝔸 ( n − 1 ) … 𝕊 ( 1 ) and so on. However, this process can be done recursively starting from the last, n th column, as follows. We start with the column vector 𝔸 ( 1 ) = [ − 1 1 ] of two components. Then we left-multiply it with 𝕊 ( 2 ) which in fact produces a four-component vector containing the values of 𝔸 ( 1 ) mirrored, i.e. ( − 1 , 1 , 1 , − 1 ) T . Now we add from the left another column (which finally becomes the column n − 1 in the constructed matrix), which contains values 𝔸 ( 2 ) 𝕊 ( 1 ) = ( − 1 , − 1 , 1 , 1 ) T . This means that the original column 𝔸 ( 1 ) corresponds to the values − 1 of the column added from the left, whereas the mirrored column 𝔸 ( 1 ) corresponds to the values 1 in the left column. These two actions (mirroring, adding from the left a column vector of sequence of − 1 ’s followed by 1 ’s of equal length) is repeated until the constructed matrix 𝑩 has n columns.
It is easy to see that the resulting matrix 𝑩 contains classical Gray (binary reflected) codes in the binary alphabet { − 1 , 1 } , according to recursive Gray code generation procedure, see e.g. (knuthart, ) . It is well known that the Gray codes of length n enumerate all the possible values of 2 n strings in the binary alphabet. As such, there exists a permutation
such that p ( i ) is the row number in the matrix 𝑩 of the (classical) binary representation of the value i in the alphabet { − 1 , 1 } having length n . From this matrix, we construct an n ( n + 1 ) 2 × 2 n matrix 𝑨 from the transposed matrix 𝑩 T followed by pairwise Hadamard products of its rows,
Note that, by statement (2) of Proposition 1 , all rows of 𝑨 are transposed elements of S A ( n ) . We denote these elements as a subset
Recall now the construction of matrix 𝑴 . It contains by columns all the values of diagonal and upper triangular elements of matrices 𝒎 ( 𝒛 ( i ) ) using ( 5 ), where 𝒛 ( i ) is the length- n binary representation of i = 1 , … , 2 n in the alphabet { − 1 , 1 } . As such, i th column of the matrix 𝑴 corresponds to p ( i ) th column of matrix 𝑨 , which completes the proof.
An immediate consequence of Propositions 1 and 2 is the following Proposition.
Proposition 3 .
The space of solutions V M of the linear system (13 ) is spanned by the elements of ∖ S A ( n ) S A M and its dimension is:
dimV _M=2^n-
n(n+1) 2 . Intuitively this means that any solution 𝒙 of the system ( 13 ) is a linear combination of the vectors in S A ( n ) ∖ S A M which form a basis being orthogonal w.r.t. Euclidean scalar product, according to (3) of Proposition 1 . At the same time, if the solution vector is non-negative, 𝒙 ≥ 𝟎 , then the corresponding tabu matrix 𝑺 ( 𝒙 ) , constructed according to ( 11 ), will be a zero matrix. Below we use this result to prove the convergence of TEHQO algorithm.
In Section 2 , we described the candidate solution generation by Algorithm 1 . In what follows, we study the convergence of the TEHQO trajectory under two simplifying assumptions:
1.
the sequence of candidate solutions forms a non-homogeneous temperature-dependent stochastic sequence in a finite state space Z ;
2.
the sequence of tabu matrices evolves on a finite (multidimensional) state space S .
The latter assumption may be relaxed, however, it causes additional efforts to prove positive recurrence of the corresponding two-dimensional process describing the TEHQO algorithm evaluation.
We consider the two-dimensional discrete-time stochastic process
living in the state space 𝒵 × 𝒮 , where 𝒁 i ( T ) is the current candidate solution and 𝑺 i ( T ) the tabu matrix at i th step of the algorithm. We note that the dependence on the current temperature, T , is stressed in the notation, however, the sequence of temperatures is a non-random sequence { T j } j ≥ 1 which is selected in a non-random way. Now we show that the process ( 16 ) is regenerative.
Proof: Since the component 𝒁 i ( T ) of the process ( 16 ) lives in a finite state space 𝒵 , we can build a sequence of random times t 1 , t 2 , … such that 𝒁 i ( T ) visits a specific state, say, 𝒛 ^ ∈ 𝒵 . Due to the quantum nature of the computation, the probability of generating the candidate 𝒛 ^ given any current solution 𝒛 ′ ≠ 𝒛 ^ is uniformly bounded from below by the value ( 1 − q ) / 2 n , where 1 − q is the probability to obtain the state by quantum random number generator (line 16 of Algorithm 1 ), in this case the outcome is produced by a uniform sampling on 𝒵 . As such, since 𝒵 is finite, geometrical trial argument (see e.g. (asmussen_applied_2003, ) ) allows to conclude that the sequence { t j } j ≥ 1 is infinite and has finite mean inter-event times.
Using Proposition 3 we take a subsequence { t j k } k ≥ 1 such that 𝑺 t j k ( T ) = 𝑶 . The probability of obtaining such a matrix from any other matrix, say, S ′ , is bounded from below by positive value. Indeed, due to the fact that there are many solutions of the system ( 13 ), we select the closest non-negative solution 𝒙 ≥ 𝟎 such that 𝒙 ≥ 𝒚 , where 𝒚 is any trajectory that gives a tabu matrix S ′ . Due to assumption of finiteness of the state space 𝒮 , the maximal distance between the vectors 𝒙 and 𝒚 , that is, max k = 1 , … , 2 n | x k − y k | , is finite. Thus, the number of steps to reach 𝒙 from 𝒚 by adding the solutions to tabu matrix, is uniformly bounded from above. Finally, we conclude that the matrix 𝑺 t j k ( T ) regenerates at zero with positive probability, and using the geometrical trial argument, conclude that the subsequence { t j k } k ≥ 1 has finite mean. Thus, overall the process ( 16 ) is a positive recurrent regenerative process which guarantees the convergence of Algorithm 1 .
4 Numerical Illustration
In this section we numerically illustrate the theoretical results related to the convergence of TEHQO scheme. Namely, we use a simplified version of the QALS algorithm, which is a particular case of the TEHQO scheme, to study the collisions in the tabu matrix. We do so by solving a simple QUBO problem, firstly by performing simulation and secondly by running the minimization in hybrid regime on QA hardware. In both experiments, we watch the tabu matrix and observe the iteration at which the matrix first becomes zero.
The specific QUBO problem was the minimization of the quadratic function
= f ( x ) x Q x having the following matrix
= Q [ 0 - 0.2 0 0 0 1.0 - 0.5 1.0 0 0 - 0.9 0 0 0 0 0.7 ] .
This results in the following function to be minimized:
= f ( x ) + - + - + - 0.2 x 1 x 2 x 2 2 0.5 x 2 x 3 x 2 x 4 0.9 x 3 2 0.7 x 4 2 ,
where the variables ∈ x i { - 1 , 1 } , = i 1 , … , 4 . This function has minima at = x ( - 1 , - 1 , - 1 , 1 ) and, symmetrically, at - x , with the value of −0.9.
We use the following configuration of the parameters related to Algorithm 1:
= i m a x 200 , = N m a x 100 , = q 0.99 , = η 0.2 .
In the considered version of QALS (introduced in pastorello2019quantum ), the role of temperature parameter is played by a sequence of probabilities { p i } ≥ i 1 that decrease geometrically with i from = p 1 1 to the fixed value = p δ 0.01 , and the temperature parameter T is related to (a generic member of the sequence) p by the following relation
Since the recursive relation to obtain the sequence of probabilities { p i } ≥ i 1 in pastorello2019quantum was
the temperature modification function for the algorithm can be easily deduced from (17 ) as
Moreover, due to (17 ), the initial value T m a x is given as
Finally, the initialization ζ was a uniform (in [ 0 , 1 ] ) random number generator and the modification ξ T was the identity function.
In the simulation experiment we used 10000 repeated runs of the algorithm. Among these, in 457 trajectories there was at least one collision registered in which the matrix S was identically zero, and the histogram is built for the trajectory length (in terms of the number of iterations i ) until the first zero (after a zero appeared, iterations were cancelled). The corresponding empirical distribution is depicted on Figure 1 (top).
In the experiment on a hardware, we used 250 repeated runs of length 200 each, at Quantum hardware which was D-Wave computer (Advantage system 4.1, 5000+ cubits, Pegasus topology). Among these, 15 zeroes were obtained, which gives approximately the same rate as in simulation (6% compared to 4.57%, respectively). These results required approximately 4.383 minutes of computing time at QPU. The corresponding empirical distribution is depicted on Figure 1 (bottom).
The promising numerical results inspire us to suggest the following embarrassingly parallel modification of the Algorithm 1 . We note the fact that the applications are called embarrassingly parallel when a computational experiment can be decomposed into a huge number independent runs. This specifically fits the distributed computing systems such as being based on BOINC software (And19, ) . We follow the approach suggested in (glynn_topics_1994, ) , namely, construction of the stochastically equivalent process consisting of a “stitched” together independent regeneration periods. Consider we start a huge number of independent copies of TEHQO with the same required parameters. Then we run each trajectory of such a simulation independently until the zeroing of tabu matrix happens. The trajectories in which this zeroing doesn’t happen are rejected. Such a simulation is known as time-parallel (hutchison_tradeoff_2013, ) . After the simulation completion, necessary statistics are gathered using e.g. regenerative estimation (glynn_topics_1994, ) . This also allows to relax Assumption 2 on the TEHQO trajectory stated in Section 3 . However, we leave a detailed analysis of this possibility for future research.
Figure 1: The histogram of the number of steps before the first appearance of a zero tabu matrix starting from a zero matrix at the time origin.
5 Conclusion and Discussion
In this paper we presented an approach to the formal proof of convergence of the TEHQO scheme. The scheme generalizes already existing approaches that contain a tabu mastrix structure over an Ising model. The role of the matrix for the proof of asymptotic convergence is clarified in terms of regeneration of the Markov process describing the computation. Empirically, the existence of the regeneration phenomenon is verified in a specific case. However, the speed of convergence and ways to improve the efficiency of the algorithm are to be studied separately. Among the possible ways to continue this research one could consider the tabu matrix parametrization so as to balance the depth of dependency vs. the speed of convergence of the optimization algorithm. Moreover, it might be interesting to perform a comparison with other existing hybrid QC schemes.
The publication has been prepared with the support of Russian Science Foundation according to the research project No.21-71-10135 https://rscf.ru/en/project/21-71-10135/ . AR would like to acknowledge the support of the research visit which facilitated this research by the Italian CNR STM program.
This work was supported by Q@TN, the joint lab between University of Trento, FBK-Fondazione Bruno Kessler, INFN-National Institute for Nuclear Physics and CNR-National Research Council.
\bmhead
Data Availability Statement
The datasets generated during and/or analysed during the current study are available from the corresponding author on reasonable request.
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\boldsymbol{\Theta}=\mbox{{}\rm\sf\leavevmode\hbox{}\hbox{}\/}\theta_{ij}\mbox{{}\rm\sf\leavevmode\hbox{}\hbox{}}_{(i,j)\in V\times V}:=\left\{
\begin{array}[]{ll}\theta_i,&i=j,\\
\theta_{ij},&(i,j)\in E,\\
0,&(i,j)\not\in E.\end{array}\right.
\end{equation}
These coefficients physically correspond to the coupling terms between the qubits, $\theta_{ij}$, and the so-called local fields, $\theta_{i}$, on the corresponding vertices.
\par The matrix $\sigma_{3}$ has two eigenvalues corresponding to the binary states of the qubit, $\{-1,1\}$, and thus, the system~{}\eqref{HP} has the spectrum of eigenvalues corresponding to all possible values of the cost function given by the energy of the well-known \emph{Ising model}:
\begin{equation*}\mathsf{E}(\boldsymbol{\Theta},\boldsymbol{z})=\sum_{i\in V}\theta_{i}z_{i}+\sum_{(i,j)\in E}\theta_{ij}z_{i}z_{j},\;\boldsymbol{z}=(z_{i})_{i\in V}\in\mathcal{Z}=\{-1,1\}^{n}.\end{equation*}
Thus, the annealing procedure takes the system to the ground state whose corresponding spin configuration is
\begin{equation}\boldsymbol{z}^{\star}=\arg\min_{\boldsymbol{z}\in\mathcal{Z}}\mathsf{E}(\boldsymbol{\Theta},\boldsymbol{z}),\end{equation}
where $\boldsymbol{z}^{\star}$ is the optimal solution of the optimization problem encoded into the parameters of the Hamiltonian $H_{Ising}(\boldsymbol{\Theta})$ defined in~{}\eqref{HP}.
\par Given a problem, the QA is initialized by a suitable choice of the weights $\boldsymbol{\Theta}$ and the binary variables $z_{i}\in\{-1,1\}$ are physically realized by the outcomes of measurements on the qubits located in the vertices $V$. Thus, since $\boldsymbol{\Theta}$ is symmetric, the optimization problem is specified by $n(n-1)/2$ real parameters satisfying some architectural constraints of a quantum machine,
$$\theta_{ij}\in[-\Delta,+\Delta],$$
for all $(i,j)\in E$ and some finite positive $\Delta$, say, 1. In order to solve a general optimization problem by QA, one needs to obtain the correct {encoding} of the objective function in terms of the cost function $\mathsf{E}(\boldsymbol{\Theta},\boldsymbol{z})$ which is hard in general.
\par Now we present the TEHQO scheme, a guided meta-heuristic approach designed specifically to solve optimization problems without the need of representing a problem into the quantum architecture a priori. This idea generalizes both the QALS approach to solve QUBO problems using QA, suggested in~{}\cite[citep]{(\@@bibref{AuthorsPhrase1Year}{pastorello2019quantum}{\@@citephrase{, }}{})}, and AQCLS approach applicable in AQC environment, described in~{}\cite[citep]{(\@@bibref{AuthorsPhrase1Year}{pastorello_learning_2021}{\@@citephrase{, }}{})}. Below we address this generalization by explaining the key idea in QALS and inspiration from AQCLS.
\par The key idea of the QALS is to enhance the QA by adding the so-called \emph{tabu matrix} $\boldsymbol{S}$ to the weight matrix $\boldsymbol{\Theta}$ of the coefficients of $H_{Ising}$ so as to penalize the solutions already visited and prevent a redundant search in the solution space. The matrix is constructed in additive way using the set of $k$ already visited (worst) solutions $\{\boldsymbol{z}_{j}\}_{j=1,...,k}$ with the help of a function
\begin{equation}\boldsymbol{m}(\boldsymbol{z})=\boldsymbol{z}\boldsymbol{z}^{T}-\boldsymbol{I}_{n}+\mathrm{diag}(\boldsymbol{z}),\quad\boldsymbol{z}\in\mathcal{Z},\end{equation}
where $\mathrm{diag}(\boldsymbol{z})$ constructs a diagonal matrix from a vector $\boldsymbol{z}$. Note that, by construction, the matrix $\boldsymbol{m}(\boldsymbol{z})$ is symmetric and, moreover,
\begin{equation}\mathsf{E}(\boldsymbol{m}(\boldsymbol{z}),\boldsymbol{z})>0,\quad\boldsymbol{z}\in\mathcal{Z}.\end{equation}
The matrix $\boldsymbol{S}$ is then constructed as the sum:
\begin{equation}\boldsymbol{S}=\sum_{j=1}^{k}\boldsymbol{m}(\boldsymbol{z}_{j}).\end{equation}
Due to~{}\eqref{penalty}, the tabu matrix $\boldsymbol{S}$ introduces \emph{energetic penalties} on the solutions $\{\boldsymbol{z}_{j}\}_{j=1,...,k}$ in the spectrum of the Hamiltonian $H_{Ising}(\boldsymbol{\Theta}+\boldsymbol{S})$.
\par Following the key idea of QALS, the TEHQO scheme is based on an iterative procedure of candidate solutions generation by reaching and measuring the ground state (by QA or AQC) of a parameter dependent problem Hamiltonian of the form
\begin{equation}H_{P}^{(\boldsymbol{\alpha})}(\boldsymbol{S})=H^{(\boldsymbol{\alpha})}+H_{Ising}(\boldsymbol{S}),\end{equation}
where $H^{(\boldsymbol{\alpha})}$ is a generic (arbitrary) Hamiltonian depending on the parameters $\boldsymbol{\alpha}$ which are updated along with the candidate solutions and $H_{Ising}$ is the Ising Hamiltonian used to enable the solution penalties by means of the tabu matrix $\boldsymbol{S}$. From the physical point of view, we can have a spin glass described by an Ising Hamiltonian on which we can act with controlled external fields in order to implement $H^{(\boldsymbol{\alpha})}$. As a particular case, if
\begin{equation}H^{(\boldsymbol{\alpha})}=H_{Ising}(\boldsymbol{\alpha}),\end{equation}
then we recover the QALS scheme and $$H_{P}^{(\boldsymbol{\alpha})}(\boldsymbol{S})=H_{Ising}(\boldsymbol{\alpha}+\boldsymbol{S}).$$
In such a case, $\boldsymbol{\alpha}\equiv\boldsymbol{\Theta}$ where $\boldsymbol{\Theta}$ is as given in~{}\eqref{w}.
\par Another example inspired by~{}\cite[cite]{\@@bibref{Authors Phrase1YearPhrase2}{pastorello_learning_2021}{\@@citephrase{(}}{\@@citephrase{)}}} is $H^{(\boldsymbol{\alpha})}$ realized by means of the transverse fields that presents the following form:
\begin{equation}H^{(\boldsymbol{\alpha})}=\sum_{i\in V_{1}}\alpha_{i}\sigma^{(i)}_{1}+\sum_{(i,j)\in E_{1}}\alpha_{ij}\sigma^{(i)}_{1}\sigma^{(j)}_{1},\end{equation}
where $\sigma_{1}$ is the Pauli-X matrix
$$\sigma_{1}=\begin{bmatrix}0&1\\
1&0\end{bmatrix},$$
and the graph $(V_{1},E_{1})$ can differ from the graph $(V,E)$ of $H_{Ising}$. Generally speaking, we do not require any specific constrain over the form of $H^{(\boldsymbol{\alpha})}$ that represents the class of Hamiltonians which can be physically implemented in a laboratory or can be efficiently simulated by suitable quantum circuits. As such, compared to QALS, the TEHQO scheme is not limited to QUBO problems, but it designed to solve arbitrary optimization problems considering a more general quantum architecture.
\par Within TEHQO scheme, the search is simultaneously performed among the candidate solutions $\boldsymbol{z}$ (to find the optimum) and in the space of the parameters $\boldsymbol{\alpha}$ of the Hamiltonian $H^{(\boldsymbol{\alpha})}$ (to find the best representation of the problem in the space of parametrized Hamiltonians). The candidate solutions are obtained by means of the QC part, and suboptimal acceptance of the candidate solutions is allowed at the classical counterpart of the algorithm, so the classical part of the hybrid algorithm presents a SA-like structure. The rejected solutions are used to update the tabu matrix $\boldsymbol{S}$ and new candidate solutions are generated, while the parameters $\boldsymbol{\alpha}$ of the Hamiltonian $H^{(\boldsymbol{\alpha})}$ are perturbed in temperature-dependent way, with decreasing temperature parameter. In this work we consider a randomized temperature-dependent function $\xi_{T}$ to modify the Hamiltonian parameters within the iterative structure of the proposed algorithm, which again is a generalization of the QALS scheme.
\par To finalize the comparison, we note that TEHQO provides a generalization of a specific AQCLS. In AQCLS the search within the family of available Hamiltonians is carried on randomly by Gaussian sampling of the parameters. Instead TEHQO considers a deformation function over the parameters which takes into the account the considered problem by the explicit dependence of $\xi_{T}$ on $f$. However, TEHQO presents a tabu Hamiltonian of Ising-type defined by means of the tabu matrix, instead AQCLS provides a general Hamiltonian defined by a tabu list.
\par The TEHQO scheme is presented in Algorithm~{}\ref{Schema}.
The QC procedure (say, QA or AQC) is run with parameters that are initialized by the randomized function $\zeta$ depending on the objective function $f$ of the problem (lines 2, 3, 4), and the worst solution $\boldsymbol{z}^{\prime}$ is used to initialize the tabu matrix according to~{}\eqref{matrix} (line 9). In the iterative structure, the temperature $T$ is constant for a cycle of $N$ iterations (line 13) and decreases according to the function $h$ and the rate $\eta$ at any $N$-th cycle (line 14). For instance, if $h(\eta,T)=T-\eta$ then $T$ decreases linearly, if $h(\eta,T)=T-\eta T$ then $T$ decreases exponentially. At each iteration (line 16) one of the two alternatives is taken, either (with probability $q$) new parameters $\boldsymbol{\alpha}$ are generated perturbing $\boldsymbol{\alpha}^{\star}$ corresponding to the current best candidate solution using a temperature-dependent modification function $\xi_{T}$ which explicitly depends on $f$, or (with probability $1-q$) $\boldsymbol{z}^{\prime}$ is sampled using a quantum random number generator, e.g. by measurement on the quantum superposed state. In the former case, the Hamiltonian $H_{P}^{(\boldsymbol{\alpha})}(\boldsymbol{S})$ is initialized and the QC procedure produces the new candidate solution $\boldsymbol{z}^{\prime}$ (line 16) that is tested (line 18-19). If $\boldsymbol{z}^{\prime}$ is better then it is accepted and the parameters are updated accordingly (line 20), else $\boldsymbol{z}^{\prime}$ is rejected or accepted as a suboptimal solution using SA-like scheme (line 23). Consequently, the tabu matrix is updated in either case (line 25). The Algorithm~{}\ref{Schema} terminates either if the maximum number $i_{max}$ of iterations is achieved, or the convergence to a solution of the optimization problem is stated (line 30).
\par Since the TEHQO is iteratively applied, the convergence of the procedure to the optimal solution $\boldsymbol{z}^{\star}$ is usually proved by considering the convergence of the sequence of steady-state probabilities of non-homogeneous Markov chains modeling the sequences of candidate solutions obtained. However, due to~{}\eqref{matrix}, proving the Markovian nature of such a process is problematic, since the tabu matrix holds virtually unlimited memory of previous states. Thus, it is important to study the collisions in the tabu matrix $\boldsymbol{S}$. We address this issue in the next section.
\par\par\@@numbered@section{section}{toc}{Theoretical convergence}
\par The convergence proof of the TEHQO scheme based on some properties of the SA-like structure implemented by the classical part of Algorithm~{}\ref{Schema}. In order to prove the algorithm convergence we consider the stochastic sequence of the candidate solutions obtained in the algorithm run. At the same time, we need to show finiteness of memory of the tabu matrix $\boldsymbol{S}$.
\par In order to define the tabu matrices corresponding to the run of TEHQO algorithm, let us enumerate the state space. Let the $n$-dimensional column vector $\boldsymbol{z}^{(i)}\in\mathcal{Z}$ be $i$th element of the lexicographically ordered state space $\mathcal{Z}$ (this may be constructively defined as the $n$-digit binary representation of $i$ in the binary alphabet $\{-1,1\}$).
\par Consider now two independent runs of TEHQO algorithm. For each such a run encode the sequence of rejected solutions by a nonnegative integer sequence of length $2^{n}$ (irregardless of the order in which they appeared in the trajectory). For each such a sequence $\boldsymbol{a}\in\mathbb{Z}_{+}^{2^{n}}$ construct the matrix function $\boldsymbol{S}(\boldsymbol{a})$ using~{}\eqref{matrix} and~{}\eqref{constructtabu} in the following way:
\begin{equation}\boldsymbol{S}(\boldsymbol{a})=\sum_{i=1}^{2^{n}}a_{i}\;\boldsymbol{m}\left(\boldsymbol{z}^{(i)}\right).\end{equation}
The {collision} in the tabu matrix happens if $\boldsymbol{S}(\boldsymbol{a})=\boldsymbol{S}(\boldsymbol{b})$ for $\boldsymbol{a}\neq\boldsymbol{b}\in\mathbb{Z}_{+}^{2^{n}}$. Such collisions are solutions of a linear system
\begin{equation}\sum_{i=1}^{2^{n}}x_{i}\;\boldsymbol{m}\left(\boldsymbol{z}^{(i)}\right)=\boldsymbol{O},\end{equation}
where $\boldsymbol{O}$ is the square zero matrix of dimension $n$ and $x_{i}:=a_{i}-b_{i}$ are the variables. Rewriting~{}\eqref{whattodo2} in a vector-matrix form, obtain
\begin{equation}\boldsymbol{M}\boldsymbol{x}=\boldsymbol{0},\end{equation}
where $\boldsymbol{x}\in\mathbb{Z}^{2^{n}}$ is the (column) vector of componentwise differences of two trajectories and $\boldsymbol{M}$ is the $\frac{n(n+1)}{2}\times 2^{n}$ matrix containing columnwise the upper-triangular elements of matrices $\boldsymbol{m}(\boldsymbol{z}^{(i)})$, starting from the diagonal elements. As such, solution of the system~{}\eqref{whattodo} is a vector in the kernel of~{}\eqref{smatrix}. In particular, if $\boldsymbol{x}\in\mathbb{Z}_{+}^{2^{n}}$, then a sequence of states corresponding to $\boldsymbol{x}$ produces a zero tabu matrix after a non-zero number of iterations of the QA algorithmn, i.e. $\boldsymbol{S}(\boldsymbol{x})=\boldsymbol{O}$. Let us formally study the solutions of the system~{}\eqref{whattodo}.
\par Now we recursively define a sequence of matrices, which allows us to establish the desired algebraic properties. Define the following $2^{k}\times 2^{k-1}$ matrices for any $k\geq 1$:
\begin{equation}\mathbb{S}^{(k)}:=\begin{bmatrix}\mathbb{I}_{2^{k-1}}\\
\mathbb{J}_{2^{k-1}}\end{bmatrix},\qquad\mathbb{A}^{(k)}:=\begin{bmatrix}-\mathbb{I}_{2^{k-1}}\\
\mathbb{J}_{2^{k-1}}\end{bmatrix},\end{equation}
where $\mathbb{I}_{2^{k-1}}$ and $\mathbb{J}_{2^{k-1}}$ are the identity matrix and the exchange matrix (matrix with unit vector over antidiagonal) of order $2^{k-1}$ respectively (conventionally $\mathbb{I}_{0}=\mathbb{J}_{0}=1$). Construct the class $SA(n)$ of $2^{n}\times 1$ matrices having the following form
$$F^{(n)}F^{(n-1)}\cdots F^{(1)}\in SA(n),$$
where $F^{(k)}$ can be either $\mathbb{S}^{(k)}$ or $\mathbb{A}^{(k)}$. In the following proposition we establish group properties of $SA(n)$.
\begin{proposition}{}
The following properties of $SA(n)$ are true for any $n\geqslant 1$:
\begin{enumerate}
\par\enumerate@item@With the exception of $\mathbb{S}^{(n)}\cdots\mathbb{S}^{(1)}$, any element of $SA(n)$ contains the same number of $-1$ and $1$, equal to $2^{n-1}$.
\par\enumerate@item@$SA(n)$ equipped with the Hadamard (componentwise) product $\circ$ is an abelian group with the neutral element $\mathbb{S}^{(n)}\cdots\mathbb{S}^{(1)}$ and any element being the inverse of itself.
\par\enumerate@item@The elements of $SA(n)$ are orthogonal w.r.t. the Euclidean scalar product.
\par\end{enumerate}
\end{proposition}
\par\rm{\par\addvspace{\medskipamount}\noindent{\bf Proof: }}\ignorespaces{} In the proof, we use induction on $n$.
\par(1) For $n=1$ the group $SA(1)$ contains only $\mathbb{S}^{(1)}$ and $\mathbb{A}^{(1)}=\begin{bmatrix}-1\\
1\end{bmatrix}$. Let (1) hold good for $SA(j)$, $j\leq n$. Denote
$$v=F^{(n)}F^{(n-1)}\cdots F^{(1)},$$
where $F^{(k)}\in\{\mathbb{S}^{(k)},\mathbb{A}^{(k)}\}$ for $k\leq n+1$. Then since
$$\mathbb{S}^{(n+1)}v=\begin{bmatrix}v\\
\mathbb{J}_{2^{n}}v\end{bmatrix}\mbox{ and }\mathbb{A}^{(n+1)}v=\begin{bmatrix}-v\\
\mathbb{J}_{2^{n}}v\end{bmatrix},$$
the statement (1) follows for $n+1$ and the induction step follows.
\par(2) For $n=1$, we have
$$\mathbb{S}^{(1)}\circ\mathbb{S}^{(1)},\mathbb{S}^{(1)}\circ\mathbb{A}^{(1)},\mathbb{A}^{(1)}\circ\mathbb{S}^{(1)},\mathbb{A}^{(1)}\circ\mathbb{A}^{(1)}\in SA(1),$$
by definition~{}\eqref{defSA}. Let (2) hold good for $SA(j)$, $j\leq n$. Denote
$$v=F^{(n)}F^{(n-1)}\cdots F^{(1)},\;w=E^{(n)}E^{(n-1)}\cdots E^{(1)},$$
where $E^{(k)},F^{(k)}\in\{\mathbb{S}^{(k)},\mathbb{A}^{(k)}\}$, $k\leq n+1$. Similarly to the proof of statement (1),
\begin{equation}F^{(n+1)}v=\begin{bmatrix}\pm v\\
\mathbb{J}_{2^{n}}v\end{bmatrix},\qquad E^{(n+1)}w=\begin{bmatrix}\pm w\\
\mathbb{J}_{2^{n}}w\end{bmatrix},\end{equation}
and hence
$$ F^{(n+1)}v\circ E^{(n+1)}w=\begin{bmatrix}\pm v\circ w\\
\mathbb{J}_{2^{n}} (v\circ w)
\end{bmatrix} \in SA(n+1)$$ holds by definition of $SA(n+1)$, since
$$\begin{bmatrix}v\circ w\\
\mathbb{J}_{2^{n}}(v\circ w)\end{bmatrix}=\mathbb{S}^{(n+1)}(v\circ w),$$
$$\begin{bmatrix}-v\circ w\\
\mathbb{J}_{2^{n}}(v\circ w)\end{bmatrix}=\mathbb{A}^{(n+1)}(v\circ w),$$
and finally $v\circ w\in SA(n)$, which completes the induction step. It remains to note that the neutral element is given by $\mathbb{S}^{(n)}\cdots\mathbb{S}^{(1)}$, whose entries are identically $1$, as a direct consequence of the definition of Hadamard product, and hence each element of the group is inverse of itself.
\par(3) As a consequence of (1) and (2) we have that the Euclidean scalar product between two distinct elements $v$ and $w$ of $SA(n)$ is nothing but the sum of the entries of $v\circ w$ that presents an equal number of $-1$s and $1$s.
\end@proof
\vskip 6.0pt plus 2.0pt minus 2.0pt\par Now we consider the matrix $\boldsymbol{M}$ of the linear system~{}\eqref{whattodo} and prove the following statement.
\par\begin{proposition}{}
The rows of $\boldsymbol{M}$ are transposed elements of a subset $SA_{M}\subset SA(n)$.
\end{proposition}
\rm{\par\addvspace{\medskipamount}\noindent{\bf Proof: }}\ignorespaces{}
Construct a $2^{n}\times n$ matrix $\boldsymbol{B}$ by columns $B_{i}$, $i=1,\dots,n$, using specific vectors from the $SA(n)$ group as follows:
$$B_{i}=F^{(n)}\dots F^{(1)},\quad F^{(i)}=\mathbb{A}^{(i)},F^{(j)}=\mathbb{S}^{(j)},j\neq i.$$
This means that $\boldsymbol{B}$ by column consists of the column vectors $\mathbb{A}^{(n)}\mathbb{S}^{(n-1)}\dots\mathbb{S}^{(1)}$, $\mathbb{S}^{(n)}\mathbb{A}^{(n-1)}\dots\mathbb{S}^{(1)}$ and so on. However, this process can be done recursively starting from the last, $n$th column, as follows. We start with the column vector $\mathbb{A}^{(1)}=\begin{bmatrix}-1\\
1\end{bmatrix}$ of two components. Then we left-multiply it with $\mathbb{S}^{(2)}$ which in fact produces a four-component vector containing the values of $\mathbb{A}^{(1)}$ mirrored, i.e. $(-1,1,1,-1)^{T}$. Now we add from the left another column (which finally becomes the column $n-1$ in the constructed matrix), which contains values $\mathbb{A}^{(2)}\mathbb{S}^{(1)}=(-1,-1,1,1)^{T}$. This means that the original column $\mathbb{A}^{(1)}$ corresponds to the values $-1$ of the column added from the left, whereas the mirrored column $\mathbb{A}^{(1)}$ corresponds to the values $1$ in the left column. These two actions (mirroring, adding from the left a column vector of sequence of $-1$'s followed by $1$'s of equal length) is repeated until the constructed matrix $\boldsymbol{B}$ has $n$ columns.
\par It is easy to see that the resulting matrix $\boldsymbol{B}$ contains classical Gray (binary reflected) codes in the binary alphabet $\{-1,1\}$, according to recursive Gray code generation procedure, see e.g.~{}\cite[citep]{(\@@bibref{AuthorsPhrase1Year}{knuthart}{\@@citephrase{, }}{})}. It is well known that the Gray codes of length $n$ enumerate all the possible values of $2^{n}$ strings in the binary alphabet. As such, there exists a permutation
$$p:\{1,\dots,2^{n}\}\mapsto\{1,\dots,2^{n}\},$$
such that $p(i)$ is the row number in the matrix $\boldsymbol{B}$ of the (classical) binary representation of the value $i$ in the alphabet $\{-1,1\}$ having length $n$. From this matrix, we construct an $\frac{n(n+1)}{2}\times 2^{n}$ matrix $\boldsymbol{A}$ from the transposed matrix $\boldsymbol{B}^{T}$ followed by pairwise Hadamard products of its rows,
$$B_{i}\circ B_{j},i<j,i,j\in\{1,\dots,n\}.$$
Note that, by statement (2) of Proposition~{}\ref{ortho}, all rows of $\boldsymbol{A}$ are transposed elements of $SA(n)$. We denote these elements as a subset
$$SA_{M}\subset SA(n).$$
\par Recall now the construction of matrix $\boldsymbol{M}$. It contains by columns all the values of diagonal and upper triangular elements of matrices $\boldsymbol{m}(\boldsymbol{z}^{(i)})$ using~{}\eqref{constructtabu}, where $\boldsymbol{z}^{(i)}$ is the length-$n$ binary representation of $i=1,\dots,2^{n}$ in the alphabet $\{-1,1\}$. As such, $i$th column of the matrix $\boldsymbol{M}$ corresponds to $p(i)$th column of matrix $\boldsymbol{A}$, which completes the proof.
\end@proof
\vskip 6.0pt plus 2.0pt minus 2.0pt\par An immediate consequence of Propositions~{}\ref{ortho} and~{}\ref{Mrows} is the following Proposition.
\begin{proposition}{}
The space of solutions $\mathcal{V}_{M}$ of the linear system~{}\eqref{whattodo} is spanned by the elements of $SA(n)\setminus SA_{M}$ and its dimension is:
$$\dim\mathcal{V}_M=2^n-\frac{n(n+1)}{2}.$$
\end{proposition}
Intuitively this means that any solution $\boldsymbol{x}$ of the system~{}\eqref{whattodo} is a linear combination of the vectors in $SA(n)\setminus SA_{M}$ which form a basis being orthogonal w.r.t. Euclidean scalar product, according to (3) of Proposition~{}\ref{ortho}. At the same time, if the solution vector is non-negative, $\boldsymbol{x}\geq\boldsymbol{0}$, then the corresponding tabu matrix $\boldsymbol{S}(\boldsymbol{x})$, constructed according to~{}\eqref{smatrix}, will be a zero matrix. Below we use this result to prove the convergence of TEHQO algorithm.
\par In Section~{}\ref{sec1}, we described the candidate solution generation by Algorithm~{}\ref{Schema}. In what follows, we study the convergence of the TEHQO trajectory under two simplifying assumptions:
\begin{enumerate}
\par\enumerate@item@the sequence of candidate solutions forms a non-homogeneous temperature-dependent stochastic sequence in a finite state space $\mathcal{Z}$;
\par\enumerate@item@the sequence of tabu matrices evolves on a finite (multidimensional) state space $\mathcal{S}$.
\par\end{enumerate}
The latter assumption may be relaxed, however, it causes additional efforts to prove positive recurrence of the corresponding two-dimensional process describing the TEHQO algorithm evaluation.
\par We consider the two-dimensional discrete-time stochastic process \begin{equation}\{\boldsymbol{Z}_{i}^{(T)},\boldsymbol{S}_{i}^{(T)}\}_{i\geq 1}\end{equation} living in the state space $\mathcal{Z}\times\mathcal{S}$, where $\boldsymbol{Z}_{i}^{(T)}$ is the current candidate solution and $\boldsymbol{S}_{i}^{(T)}$ the tabu matrix at $i$th step of the algorithm. We note that the dependence on the current temperature, $T$, is stressed in the notation, however, the sequence of temperatures is a non-random sequence $\{T_{j}\}_{j\geq 1}$ which is selected in a non-random way. Now we show that the process~{}\eqref{twodimprocess} is regenerative.
\par\par\par\par\par\par\begin{proposition}{}
Algorithm~{}\ref{Schema} converges.
\end{proposition}
\par\rm{\par\addvspace{\medskipamount}\noindent{\bf Proof: }}\ignorespaces{}
Since the component $\boldsymbol{Z}_{i}^{(T)}$ of the process~{}\eqref{twodimprocess} lives in a finite state space $\mathcal{Z}$, we can build a sequence of random times $t_{1},t_{2},\dots$ such that $\boldsymbol{Z}_{i}^{(T)}$ visits a specific state, say, $\hat{\boldsymbol{z}}\in\mathcal{Z}$. Due to the quantum nature of the computation, the probability of generating the candidate $\hat{\boldsymbol{z}}$ given any current solution $\boldsymbol{z}^{\prime}\neq\hat{\boldsymbol{z}}$ is uniformly bounded from below by the value ${(1-q)}/{2^{n}}$, where $1-q$ is the probability to obtain the state by quantum random number generator (line 16 of Algorithm~{}\ref{Schema}), in this case the outcome is produced by a uniform sampling on $\mathcal{Z}$. As such, since $\mathcal{Z}$ is finite, geometrical trial argument (see e.g.~{}\cite[citep]{(\@@bibref{AuthorsPhrase1Year}{asmussen_applied_2003}{\@@citephrase{, }}{})}) allows to conclude that the sequence $\{t_{j}\}_{j\geq 1}$ is infinite and has finite mean inter-event times.
\par Using Proposition~{}\ref{main} we take a subsequence $\{t_{j_{k}}\}_{k\geq 1}$ such that $\boldsymbol{S}^{(T)}_{t_{j_{k}}}=\boldsymbol{O}$. The probability of obtaining such a matrix from any other matrix, say, $S^{\prime}$, is bounded from below by positive value. Indeed, due to the fact that there are many solutions of the system~{}\eqref{whattodo}, we select the closest non-negative solution $\boldsymbol{x}\geq\boldsymbol{0}$ such that $\boldsymbol{x}\geq\boldsymbol{y}$, where $\boldsymbol{y}$ is any trajectory that gives a tabu matrix $S^{\prime}$. Due to assumption of finiteness of the state space $\mathcal{S}$, the maximal distance between the vectors $\boldsymbol{x}$ and $\boldsymbol{y}$, that is, $\max_{k=1,\dots,2^{n}}\lvert x_{k}-y_{k}\rvert$, is finite. Thus, the number of steps to reach $\boldsymbol{x}$ from $\boldsymbol{y}$ by adding the solutions to tabu matrix, is uniformly bounded from above. Finally, we conclude that the matrix $\boldsymbol{S}^{(T)}_{t_{j_{k}}}$ regenerates at zero with positive probability, and using the geometrical trial argument, conclude that the subsequence $\{t_{j_{k}}\}_{k\geq 1}$ has finite mean. Thus, overall the process~{}\eqref{twodimprocess} is a positive recurrent regenerative process which guarantees the convergence of Algorithm~{}\ref{Schema}.
\end@proof
\par\par\par\par\par\par\par\par\par\par\par\par\par\par\par\par\par\par\@@numbered@section{section}{toc}{Numerical Illustration}
\par In this section we numerically illustrate the theoretical results related to the convergence of TEHQO scheme. Namely, we use a simplified version of the QALS algorithm, which is a particular case of the TEHQO scheme, to study the collisions in the tabu matrix. We do so by solving a simple QUBO problem, firstly by performing simulation and secondly by running the minimization in hybrid regime on QA hardware. In both experiments, we watch the tabu matrix and observe the iteration at which the matrix first becomes zero.
\par The specific QUBO problem was the minimization of the quadratic function
$f(\boldsymbol{x})=\boldsymbol{x}\boldsymbol{Q}\boldsymbol{x}$ having the following matrix
$$\boldsymbol{Q}=\begin{bmatrix}0&-0.2&0&0\\
0&1.0&-0.5&1.0\\
0&0&-0.9&0\\
0&0&0&0.7\\
\end{bmatrix}.$$
This results in the following function to be minimized:
$$f(\boldsymbol{x})=-0.2x_{1}x_{2}+x_{2}^{2}-0.5x_{2}x_{3}+x_{2}x_{4}-0.9x_{3}^{2}+0.7x_{4}^{2},$$
where the variables $x_{i}\in\{-1,1\},i=1,\dots,4$. This function has minima at $\boldsymbol{x}=(-1,-1,-1,1)$ and, symmetrically, at $-\boldsymbol{x}$, with the value of $-0.9$.
\par We use the following configuration of the parameters related to Algorithm 1:
$$i_{max}=200,\;N_{max}=100,\;q=0.99,\;\eta=0.2.$$
In the considered version of QALS (introduced in~{}\cite[cite]{\@@bibref{Authors Phrase1YearPhrase2}{pastorello2019quantum}{\@@citephrase{(}}{\@@citephrase{)}}}), the role of temperature parameter is played by a sequence of probabilities $\{p_{i}\}_{i\geq 1}$ that decrease geometrically with $i$ from $p_{1}=1$ to the fixed value $p_{\delta}=0.01$, and the temperature parameter $T$ is related to (a generic member of the sequence) $p$ by the following relation
\begin{equation}p-p_{\delta}=e^{-\frac{1}{T}}.\end{equation}
Since the recursive relation to obtain the sequence of probabilities $\{p_{i}\}_{i\geq 1}$ in~{}\cite[cite]{\@@bibref{Authors Phrase1YearPhrase2}{pastorello2019quantum}{\@@citephrase{(}}{\@@citephrase{)}}} was
$$p_{i+1}=p_{i}-(p_{i}-p_{\delta})\eta,\quad,i\geq 1,$$
the temperature modification function for the algorithm can be easily deduced from~{}\eqref{relationshippdelta} as
$$h(\eta,T)=\frac{T}{1-T\log(1-\eta)}.$$
Moreover, due to~{}\eqref{relationshippdelta}, the initial value $T_{max}$ is given as
$$T_{max}=-\left(\log(0.99)\right)^{-1}.$$
Finally, the initialization $\zeta$ was a uniform (in $[0,1]$) random number generator and the modification $\xi_{T}$ was the identity function.
\par In the simulation experiment we used 10000 repeated runs of the algorithm. Among these, in 457 trajectories there was at least one collision registered in which the matrix $\boldsymbol{S}$ was identically zero, and the histogram is built for the trajectory length (in terms of the number of iterations $i$) until the first zero (after a zero appeared, iterations were cancelled). The corresponding empirical distribution is depicted on Figure~{}\ref{fig1} (top).
\par In the experiment on a hardware, we used 250 repeated runs of length 200 each, at Quantum hardware which was D-Wave computer (Advantage system 4.1, 5000+ cubits, Pegasus topology). Among these, 15 zeroes were obtained, which gives approximately the same rate as in simulation (6\% compared to 4.57\%, respectively). These results required approximately 4.383 minutes of computing time at QPU. The corresponding empirical distribution is depicted on Figure~{}\ref{fig1} (bottom).
\par The promising numerical results inspire us to suggest the following {embarrassingly parallel} modification of the Algorithm~{}\ref{Schema}. We note the fact that the applications are called embarrassingly parallel when a computational experiment can be decomposed into a huge number independent runs. This specifically fits the distributed computing systems such as being based on BOINC software~{}\cite[citep]{(\@@bibref{AuthorsPhrase1Year}{And19}{\@@citephrase{, }}{})}. We follow the approach suggested in~{}\cite[citep]{(\@@bibref{AuthorsPhrase1Year}{glynn_topics_1994}{\@@citephrase{, }}{})}, namely, construction of the stochastically equivalent process consisting of a ``stitched'' together independent regeneration periods. Consider we start a huge number of independent copies of TEHQO with the same required parameters. Then we run each trajectory of such a simulation independently until the zeroing of tabu matrix happens. The trajectories in which this zeroing doesn't happen are rejected. Such a simulation is known as time-parallel~{}\cite[citep]{(\@@bibref{AuthorsPhrase1Year}{hutchison_tradeoff_2013}{\@@citephrase{, }}{})}. After the simulation completion, necessary statistics are gathered using e.g. regenerative estimation~{}\cite[citep]{(\@@bibref{AuthorsPhrase1Year}{glynn_topics_1994}{\@@citephrase{, }}{})}. This also allows to relax Assumption 2 on the TEHQO trajectory stated in Section~{}\ref{sec3}. However, we leave a detailed analysis of this possibility for future research.
\par\begin{figure}[!b]
\centering\includegraphics[width=390.25534pt]{numsteps_twin.pdf}
\@@toccaption{{\lx@tag[ ]{{1}}{The histogram of the number of steps before the first appearance of a zero tabu matrix starting from a zero matrix at the time origin.}}}\@@caption{{\lx@tag[: ]{{Figure 1}}{The histogram of the number of steps before the first appearance of a zero tabu matrix starting from a zero matrix at the time origin.}}}
\@add@centering\end{figure}
\par\par\@@numbered@section{section}{toc}{Conclusion and Discussion}
In this paper we presented an approach to the formal proof of convergence of the TEHQO scheme. The scheme generalizes already existing approaches that contain a tabu mastrix structure over an Ising model. The role of the matrix for the proof of asymptotic convergence is clarified in terms of regeneration of the Markov process describing the computation. Empirically, the existence of the regeneration phenomenon is verified in a specific case. However, the speed of convergence and ways to improve the efficiency of the algorithm are to be studied separately. Among the possible ways to continue this research one could consider the tabu matrix parametrization so as to balance the depth of dependency vs. the speed of convergence of the optimization algorithm. Moreover, it might be interesting to perform a comparison with other existing hybrid QC schemes.
\par\bmhead{Acknowledgments}
\par The publication has been prepared with the support of Russian Science Foundation according to the research project No.{21-71-10135} \url{https://rscf.ru/en/project/21-71-10135/}. AR would like to acknowledge the support of the research visit which facilitated this research by the Italian CNR STM program.\\
This work was supported by Q@TN, the joint lab between University of Trento, FBK-Fondazione Bruno Kessler, INFN-National Institute for Nuclear Physics and CNR-National Research Council.
\par\bmhead{Data Availability Statement}
The datasets generated during and/or ana\-lysed during the current study are available from the corresponding author on reasonable request.
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