Within the Equation of Motion Phonon Method (EMPM) framework, we address the computation of the ground-state eigenpair of nuclear Hamiltonians by reformulating the eigenvalue problem as a Quadratic Unconstrained Binary Optimization (QUBO). To this end, we adopt a QUBO-based iterative steepest-descent algorithm and validate its performance using Simulated Annealing, demonstrating its feasibility for nuclear many-body calculations. This work represents a first step toward implementations on quantum annealers and extensions to the full eigenspectrum.
Within the Equation of Motion Phonon Method (EMPM) framework, we address the computation of the ground-state eigenpair of nuclear Hamiltonians by reformulating the eigenvalue problem as a Quadratic Unconstrained Binary Optimization (QUBO). To this end, we adopt a QUBO-based iterative steepest-descent algorithm and validate its performance using Simulated Annealing, demonstrating its feasibility for nuclear many-body calculations. This work represents a first step toward implementations on quantum annealers and extensions to the full eigenspectrum.
Within the Equation of Motion Phonon Method (EMPM) framework, we address the computation of the ground-state eigenpair of nuclear Hamiltonians by reformulating the eigenvalue problem as a Quadratic Unconstrained Binary Optimization (QUBO). To this end, we adopt a QUBO-based iterative steepest-descent algorithm and validate its performance using Simulated Annealing, demonstrating its feasibility for nuclear many-body calculations. This work represents a first step toward implementations on quantum annealers and extensions to the full eigenspectrum.
The solution of large-scale eigenvalue problems is crucial in nuclear many-body theory, where Hamiltonian matrices often reach extremely large dimensions. Quantum computing opens new perspectives for addressing such demanding problems. Although the Quantum Phase Estimation algorithm offers, in principle, a systematic route to matrix diagonalization, its practical deployment demands levels of coherence and error correction that current quantum hardware cannot yet support. A viable near-term strategy is instead to exploit quantum annealing, which enables the recasting of eigenvalue problems into quadratic unconstrained binary optimization formulations that can be addressed by existing annealing-based processors. Here, we propose a hybrid quantum-classical algorithm that combines quantum annealing and classical deflation to iteratively extract the full eigenspectrum of both standard and generalized eigenvalue problems. We benchmark this method on eigenvalue problems arising from the Equation of Motion Phonon Method performing calculations on real quantum hardware. Our approach illustrates the capabilities and limitations of near-term quantum devices in addressing nuclear eigenvalue problems.
The quantum annealing devices, which encode the solution to a computational problem in the ground state of a quantum Hamiltonian, are implemented in D-Wave systems with more than 2,000 qubits. However, quantum annealing can solve only a classical combinatorial optimization problem such as an Ising model, or equivalently, a quadratic unconstrained binary optimization (QUBO) problem. In this paper, we formulate the QUBO model to solve elliptic problems with Dirichlet and Neumann boundary conditions using the finite element method. In this formulation, we develop the objective function of quadratic binary variables represented by qubits and the system finds the binary string combination minimizing the objective function globally. Based on the QUBO formulation, we introduce an iterative algorithm to solve the elliptic problems. We discuss the validation of the modeling on the D-Wave quantum annealing system.
Solving the eigenvalue problem is particularly important in almost all fields of science and engineering. With the development of quantum computers, multiple algorithms have been proposed for this purpose. However, such methods are usually only applicable to matrices of specific types, such as unitary or Hermitian matrices. The quantum annealer of the D-Wave, a quantum computer, returns the minimum value of the quadratic unconstrained binary optimization (QUBO) model. Thus, quantum annealers can be leveraged to solve arbitrary eigenvalue problems by formulating corresponding QUBO models. In this paper, we propose two higher-order unconstrained optimization (HUBO) formulations to solve eigenvalue problems involving n×n general matrices. In addition, we use a formula to reduce the order and convert the HUBO model into a QUBO model. Further, by using a quantum approximate optimization algorithm, this method can be extended to a gate-model quantum computer.
Density matrix electronic structure theory is used in many quantum chemistry methods to "alleviate" the computational cost that arises from directly using wave functions. Although density matrix based methods are computationally more efficient than wave functions based methods, yet significant computational effort is involved. Since the Schrödinger equation needs to be solved as an eigenvalue problem, the time-to-solution scales cubically with the system size, and is solved as many times in order to reach charge or field self-consistency. We hereby propose and study a method to compute the density matrix by using a quadratic unconstrained binary optimization (QUBO) solver. This method could be useful to solve the problem with quantum computers, and more specifically, quantum annealers. The method hereby proposed is based on a direct construction of the density matrix using a QUBO eigensolver. We explore the main parameters of the algorithm focusing on precision and efficiency. We show that, while direct construction of the density matrix using a QUBO formulation is possible, the efficiency and precision have room for improvement. Moreover, calculations performing Quantum Annealing with the D-Wave's new Advantage quantum processing units is compared with classical Simulated annealing, further highlighting some problems of the proposed method. We also show some alternative methods that could lead to a better performance of the density matrix construction.
Abstract Quantum computers have strict requirements for the problems that they can efficiently solve. One of the principal limiting factor for the performances of noisy intermediate-scale quantum (NISQ) devices is the number of qubits required by the running algorithm. Several combinatorial optimization problems can be solved with NISQ devices once that a corresponding quadratic unconstrained binary optimization (QUBO) form is derived. Numerous techniques have been proposed to achieve such reformulations and, depending on the method chosen, the number of binary variables required, and therefore of qubits, can vary considerably. The aim of this work is to drastically reduce the variables needed for these QUBO reformulations in order to unlock the possibility to efficiently obtain optimal solutions for a class of optimization problems with NISQ devices. This goal is achieved by introducing novel tools that allow an efficient use of slack variables, even for problems with non-linear constraints, without the need to approximate the starting problem. We divide our new techniques in two independent parts, called the iterative quadratic polynomial and the master-satellite methods. Hence, we show how to apply our techniques in case of an NP-hard optimization problem inspired by a real-world financial scenario called Max-Profit Balance Settlement . We follow by submitting several instances of this problem to two D-wave quantum annealers, comparing the performances of our novel approach with the standard methods used in these scenarios. Moreover, this study allows to appreciate several performance differences between the D-wave Advantage and next-generation Advantage2 quantum annealers. We show that the adoption of our techniques in this context allows to obtain QUBO formulations with significantly fewer slack variables, i.e. around 90% less, and D-wave annealers provide considerably higher correct solution rates, which moreover do not decrease with the input size as fast as when adopting standard techniques.