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Quantum annealing: A new method for minimizing multidimensional functions

A B Finnila, M A Gomez, C. Sebenik, C. Stenson, Jimmie D. Doll

Published Jun 18, 2007• 23 citations
Publisher

Abstract

Abstract Quantum Monte Carlo has found a new application far afield from the solution of the Schrodinger equation for many-body problems. In this paper the authors report a method for solving multidimensional optimization problems that is superior, in many cases, to other methods such as conjugate gradient methods, the simplex method, direction-set methods, genetic methods, and classical simulated annealing. The new approach, aptly titled “quantum annealing,” is closely related to classical annealing, in which a physical system such as a metal cluster is slowly cooled and finds its lowest-energy configuration as the temperature drops to zero. In classical annealing the system follows classical-mechanical dynamics as the temperature drops. In quantum annealing a collection of configurations evolves in the the same way as walkers undergoing diffusion and multiplication in diffusion QMC with the added feature of a slowly dropping value for Planck’s constant h. Classical annealing allows the escape from local minima with the aid of thermal fluctuations. Quantum annealing allows such escape by delocalization and tunneling. Since a QMC walker can multiply in number on entering a low-energy region, a single walker can populate an entire region.

DOI
10.1093/oso/9780195310108.003.0095

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Transactions of the Society of Instrument and Control Engineers•Jan 1, 2010•1 citation
Abstract Quantum Monte Carlo has found a new application far afield from the solution of the Schrodinger equation for many-body problems. In this paper the authors report a method for solving multidimensional optimization problems that is superior, in many cases, to other methods such as conjugate gradient methods, the simplex method, direction-set methods, genetic methods, and classical simulated annealing. The new approach, aptly titled “quantum annealing,” is closely related to classical annealing, in which a physical system such as a metal cluster is slowly cooled and finds its lowest-energy configuration as the temperature drops to zero. In classical annealing the system follows classical-mechanical dynamics as the temperature drops. In quantum annealing a collection of configurations evolves in the the same way as walkers undergoing diffusion and multiplication in diffusion QMC with the added feature of a slowly dropping value for Planck’s constant h. Classical annealing allows the escape from local minima with the aid of thermal fluctuations. Quantum annealing allows such escape by delocalization and tunneling. Since a QMC walker can multiply in number on entering a low-energy region, a single walker can populate an entire region.
We introduce quantum fluctuations into the simulated annealing process of optimization problems, aiming at faster convergence to the optimal state. The idea is tested by the two models, the transverse Ising model and the traveling salesman problem (TSP). Adding the transverse field to the Ising model is a simple way to introduce quantum fluctuations. The strength of the transverse field is controlled as a function of time similarly to the temperature in the conventional method. TSP can be described by the Ising spin, so that we also apply the same technique to TSP. We directory solve the time-dependent Schrödinger equation for small-size systems and perform the quantum Monte Carlo simulation for large-size systems. Comparison with the results of the corresponding classical (thermal) method reveals that the quantum method leads to the ground state with much larger probability in almost all cases if we use the same annealing schedule of the control parameters. We also find that the relaxation time is quite short for quantum systems by numerical simulations. We consider this is one of the reasons why the annealing in quantum systems have a better performance of finding the optimal state in comparison with classical systems.
The standard quantum annealing algorithm tries to approach the ground state of a classical system by slowly decreasing the hopping rates of a quantum random walk in the configuration space of the problem, where the on-site energies are provided by the classical energy function. In a quantum reinforcement algorithm, the annealing works instead by increasing gradually the strength of the on-site energies according to the probability of finding the walker on each site of the configuration space. Here, by using the path-integral Monte Carlo simulations of the quantum algorithms, we show that annealing via reinforcement can significantly enhance the success probability of the quantum walker. More precisely, we implement a local version of the quantum reinforcement algorithm, where the system wave function is replaced by an approximate wave function using the local expectation values of the system. We use this algorithm to find solutions to a prototypical constraint satisfaction problem (XORSAT) close to the satisfiability to unsatisfiability phase transition. The study is limited to small problem sizes (a few hundreds of variables), nevertheless, the numerical results suggest that quantum reinforcement may provide a useful strategy to deal with other computationally hard problems and larger problem sizes even as a classical optimization algorithm.
Recent theoretical and experimental studies have suggested that quantum Monte Carlo (QMC) simulation can behave similarly to quantum annealing (QA). The theoretical analysis was based on calculating transition rates between local minima, in the large spin limit using WentzelKramers-Brillouin (WKB) approximation, for highly symmetric systems of ferromagnetically coupled qubits. The rate of transition was observed to scale the same in QMC and incoherent quantum tunneling, implying that there might be no quantum advantage of QA compared to QMC other than a prefactor. Quantum annealing is believed to provide quantum advantage through large scale superposition and entanglement and not just incoherent tunneling. Even for incoherent tunneling, the scaling similarity with QMC observed above does not hold in general. Here, we compare incoherent tunneling and QMC escape using perturbation theory, which has much wider validity than WKB approximation. We show that the two do not scale the same way when there are multiple homotopy-inequivalent paths for tunneling. We demonstrate through examples that frustration can generate an exponential number of tunneling paths, which under certain conditions can lead to an exponential advantage for incoherent tunneling over classical QMC escape. We provide analytical and numerical evidence for such an advantage and show that it holds beyond perturbation theory.
Multivariable optimization problems belong to an interdisciplinary field of research connecting diverse fields like computer science, information theory and statistical physics. It involves finding an optimal solution out of the many available states or configurations, possibly satisfying a set of constraints. For physicists, the problem can be visualized as finding the global minima of the energy landscape of a given complex Hamiltonian, which is quite difficult to obtain by the obvious method of examining the energy of each state. This is due to the huge number of available states which grows exponentially with the system size (for N Ising spins, the configuration space grows as 2 N ). The search for such a global minimum becomes all the more complex when the landscape consists of several local minima separated by macroscopic barriers ( O ( N )) arising from frustrating constraints in the systems. To solve such an optimization problem in a stochastic case, the concept of simulated annealing (SA) was put forward by Kirkpatrick et al . [437]. In this method, a tunable noise is artificially induced (thermal-like fluctuations equivalent to that of a metallurgical annealing) which helps the system to escape from the local minima by hopping above the energy barriers, and staying longer in minimum energy valley(s) as the noise variable is slowly reduced to zero starting from a high value. At the same time, it is also known that in complex systems, due to many closely spaced low lying states, the annealing needs to be performed infinitely slowly to reach the true ground state; this is indeed a major drawback. We shall elaborate on this point later when we discuss the effect of system size on the minimum gap between the ground state and the first excited state of the quantum many body system under consideration. The numerical methods used in such studies are variants of Monte Carlo methods.
Convergence conditions for quantum annealing are derived for optimization problems represented by the Ising model of a general form. Quantum fluctuations are introduced as a transverse field and/or transverse ferromagnetic interactions, and the time evolution follows the real-time Schrodinger equation. It is shown that the system stays arbitrarily close to the instantaneous ground state, finally reaching the target optimal state, if the strength of quantum fluctuations decreases sufficiently slowly, in particular inversely proportionally to the power of time in the asymptotic region. This is the same condition as the other implementations of quantum annealing, quantum Monte Carlo and Green's function Monte Carlo simulations, in spite of the essential difference in the type of dynamics. The method of analysis is an application of the adiabatic theorem in conjunction with an estimate of a lower bound of the energy gap based on the recently proposed idea of Somma et. al. for the analysis of classical simulated annealing using a classical-quantum correspondence.
Quantum tunneling that helps particles escape from local minima has been applied in “quantum annealing” method to global optimization of nonlinear functions. To control size of kinetic energy of quantum particles, we form a “quantum tunneling parameter” QT≡m/HR2, where HR corresponds to a physical constant h, Planck's constant divided by 2π, that determines the lowest eigenvalue of quantum particles with mass m. Assumptions on profiles of the function V(x) around its minimum point x0, harmonic oscillator type and square well type, make us possible to write down analytical formulae of the kinetic energy K in terms of QT. The formulae tell that we can make quantum expectation value of particle coordinates x approximate to the minimum point x0 in QT→∞. For systems where we have almost degenerate eigenvalues, examination working with our QT, that x→x0 in QT→∞, is analytically shown also efficient. Similar results that x→x0 under QT→∞ are also obtained when we utilize random-walk quantum Monte Carlo method to represent tunneling phenomena according to conventional quantum annealing.