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In the search for accurate approximate solutions of the many-body Schr\"odinger equation, reduced density matrices play an important role, as they allow to formulate approximate methods with polynomial scaling in the number of particles.…

Quantum Physics · Physics 2024-12-19 Elias Pescoller , Marie Eder , Iva Březinová

The Quadratic Unconstrained Binary Optimization (QUBO) model has gained prominence in recent years with the discovery that it unifies a rich variety of combinatorial optimization problems. By its association with the Ising problem in…

Data Structures and Algorithms · Computer Science 2019-11-06 Fred Glover , Gary Kochenberger , Yu Du

We extend the family of problems that may be implemented on an adiabatic quantum optimizer (AQO). When a quadratic optimization problem has at least one set of discrete controls and the constraints are linear, we call this a quadratic…

Quantum Physics · Physics 2014-07-16 Rishabh Chandra , N. Tobias Jacobson , Jonathan E. Moussa , Steven H. Frankel , Sabre Kais

We solve a multi-period portfolio optimization problem using D-Wave Systems' quantum annealer. We derive a formulation of the problem, discuss several possible integer encoding schemes, and present numerical examples that show high success…

Computational Finance · Quantitative Finance 2016-09-29 Gili Rosenberg , Poya Haghnegahdar , Phil Goddard , Peter Carr , Kesheng Wu , Marcos López de Prado

Quantum annealing has emerged as a powerful tool for solving combinatorial optimization problems efficiently, making use of the principles of quantum mechanics. Companies are increasingly investing in the market of quantum computers,…

Quantum Physics · Physics 2025-09-29 Lorenzo Mazzei , Giada Beccari , Mirko Laruina , Marco Cococcioni

A new method of solution to the local spin density approximation to the electronic Schr\"{o}dinger equation is presented. The method is based on an efficient, parallel, adaptive multigrid eigenvalue solver. It is shown that adaptivity is…

mtrl-th · Physics 2009-09-25 E. Bylaska , S. Khon , S. Baden , A. Edelman , R. Kawai , M. E. G. Ong , J. H. Weare

Gaussian Processes are used in many applications to model spatial phenomena. Within this context, a key issue is to decide the set of locations where to take measurements so as to obtain a better approximation of the underlying function.…

Emerging Technologies · Computer Science 2019-01-31 Lorenzo Bottarelli , Alessandro Farinelli

Digital quantum computers provide a computational framework for solving the Schr\"{o}dinger equation for a variety of many-particle systems. Quantum computing algorithms for the quantum simulation of these systems have recently witnessed…

Quantum Physics · Physics 2022-03-21 Mario Motta , Julia Rice

In solving optimization problems, objective functions generally need to be minimized or maximized. However, objective functions cannot always be formulated explicitly in a mathematical form for complicated problem settings. Although several…

Statistical Mechanics · Physics 2021-07-20 Ami S. Koshikawa , Masayuki Ohzeki , Tadashi Kadowaki , Kazuyuki Tanaka

The Quadratic Unconstrained Binary Optimization (QUBO) modeling and solution framework is a requirement for quantum and digital annealers. However optimality for QUBO problems of any practical size is extremely difficult to achieve. In…

Artificial Intelligence · Computer Science 2021-05-13 Amit Verma , Mark Lewis

In this work, we propose a machine learning-based approach to address a specific aspect of the Quantum Marginal Problem: reconstructing a global density matrix compatible with a given set of quantum marginals. Our method integrates a…

Quantum Physics · Physics 2025-10-03 Daniel Uzcategui-Contreras , Antonio Guerra , Sebastian Niklitschek , Aldo Delgado

The stationary Schr\"odinger equation can be cast in the form $H \rho = E \rho$, where $H$ is the system's Hamiltonian and $\rho$ is the system's density matrix. We explore the merits of this form of the stationary Schr\"odinger equation,…

Quantum Physics · Physics 2020-02-18 E. Shpagina , F. Uskov , N. Il'in , O. Lychkovskiy

Algorithms and hardware for solving quadratic unconstrained binary optimization (QUBO) problems have made significant recent progress. This advancement has focused attention on formulating combinatorial optimization problems as quadratic…

Machine Learning · Computer Science 2025-08-26 Yuta Shikuri

Quantum computation has the potential to revolutionize quantum chemistry through major speedups to computation times and exponential reduction of computational resources. Here, we combine the symmetry-adapted Jordan-Wigner encoding based on…

Chemical Physics · Physics 2025-08-21 Joseph Desroches , Sijia S. Dong

The evolution of multiple-input, multiple-output (MIMO) systems requires the efficient detection algorithms to overcome the exponential computational complexity of optimal maximum likelihood detection. Reformulating MIMO detection as a…

Information Theory · Computer Science 2026-05-13 Seyedkhashayar Hashemi , Elisabetta Valiante , Ignacio Rozada , Moslem Noori

The broad applicability of Quadratic Unconstrained Binary Optimization (QUBO) constitutes a general-purpose modeling framework for combinatorial optimization problems and are a required format for gate array and quantum annealing computers.…

Artificial Intelligence · Computer Science 2021-04-06 Amit Verma , Mark Lewis

Quadratic unconstrained binary optimization (QUBO) is a field of operations research that is attracting growing interest due to the recent availability of quantum hardware targeted at solving QUBO problems. However, practical adoption is…

Software Engineering · Computer Science 2026-01-22 Lodovica Marchesi , Amal Nasharti , Michele Marchesi

We report on a case study in programming an early quantum annealer to attack optimization problems related to operational planning. While a number of studies have looked at the performance of quantum annealers on problems native to their…

To run an algorithm on a quantum computer, one must choose an assignment from logical qubits in a circuit to physical qubits on quantum hardware. This task of initial qubit placement, or qubit allocation, is especially important on…

Quantum Physics · Physics 2020-12-01 Bryan Dury , Olivia Di Matteo

To solve an optimization problem using a commercial quantum annealer, one has to represent the problem of interest as an Ising or a quadratic unconstrained binary optimization (QUBO) problem and submit its coefficients to the annealer,…

Quantum Physics · Physics 2023-06-13 Elijah Pelofske , Georg Hahn , Hristo Djidjev