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Hamiltonian Monte Carlo (HMC) algorithms which combine numerical approximation of Hamiltonian dynamics on finite intervals with stochastic refreshment and Metropolis correction are popular sampling schemes, but it is known that they may…

Computation · Statistics 2022-08-16 Peter A. Whalley , Daniel Paulin , Benedict Leimkuhler

We present a hybrid classical-quantum algorithm to solve optimization problems in current quantum computers, whose basic idea is to assist variational quantum eigensolvers (VQE) with adiabatic change of the Hamiltonian. The rational for…

Quantum Physics · Physics 2018-06-07 A. Garcia-Saez , J. I. Latorre

Diffusion Monte Carlo (DMC) calculations typically yield highly accurate results in solid-state and quantum-chemical calculations. However, operators that do not commute with the Hamiltonian are at best sampled correctly up to second order…

Other Condensed Matter · Physics 2009-11-13 R. Gaudoin , J. M. Pitarke

Quantum computing promises significant improvements of computation capabilities in various fields such as machine learning and complex optimization problems. Recent technological advancements suggest that the adiabatic quantum computing…

Quantum Physics · Physics 2021-05-06 Veit Stooß , Martin Ulmke , Felix Govaers

The Path Integral Monte Carlo simulated Quantum Annealing algorithm is applied to the optimization of a large hard instance of the Random 3-SAT Problem (N=10000). The dynamical behavior of the quantum and the classical annealing are…

Disordered Systems and Neural Networks · Physics 2009-11-11 Demian Battaglia , Giuseppe Santoro , Erio Tosatti

Hamiltonian Monte Carlo has proven a remarkable empirical success, but only recently have we begun to develop a rigorous understanding of why it performs so well on difficult problems and how it is best applied in practice. Unfortunately,…

Methodology · Statistics 2018-07-17 Michael Betancourt

Generative diffusion models have recently emerged as a powerful strategy to perform stochastic sampling in Bayesian inverse problems, delivering remarkably accurate solutions for a wide range of challenging applications. However, diffusion…

Computation · Statistics 2025-05-15 Abdul-Lateef Haji-Ali , Marcelo Pereyra , Luke Shaw , Konstantinos Zygalakis

If a stochastic system during some periods of its evolution can be divided into non-interacting parts, the kinetics of each part can be simulated independently. We show that this can be used in the development of efficient Monte Carlo…

Materials Science · Physics 2009-11-13 V. I. Tokar , H. Dreyssé

We introduce a Monte Carlo algorithm to efficiently compute transport properties of chaotic dynamical systems. Our method exploits the importance sampling technique that favors trajectories in the tail of the distribution of displacements,…

Statistical Mechanics · Physics 2018-05-25 Diego Tapias , David P. Sanders , Eduardo G. Altmann

Adiabatic evolution is a powerful technique in quantum information and computation. However, its performance is limited by the adiabatic theorem of quantum mechanics. In this scenario, shortcuts to adiabaticity, such as provided by the…

Quantum Physics · Physics 2016-03-17 Alan C. Santos

This paper develops and analyzes an efficient numerical method for solving elliptic partial differential equations, where the diffusion coefficients are random perturbations of deterministic diffusion coefficients. The method is based upon…

Numerical Analysis · Mathematics 2016-03-30 X. Feng , J. Lin. , C. Lorton

We develop a resource efficient method by which the ground-state of an arbitrary k-local, optimization Hamiltonian can be encoded as the ground-state of a (k-1)-local optimization Hamiltonian. This result is important because adiabatic…

Quantum Physics · Physics 2014-10-16 Ryan Babbush , Bryan O'Gorman , Alán Aspuru-Guzik

We describe a general methodology for enhancing the efficiency of adiabatic quantum computations (AQC). It consists of homotopically deforming the original "Hamiltonian surface" in a way that the redistribution of the Gaussian curvature…

Quantum Physics · Physics 2019-03-06 Raouf Dridi , Hedayat Alghassi , Sridhar Tayur

In this work we present a quantum algorithm for multiobjective combinatorial optimization. We show how to map a convex combination of objective functions onto a Hamiltonian and then use that Hamiltonian to prove that the quantum adiabatic…

Data Structures and Algorithms · Computer Science 2020-03-25 Benjamin Baran , Marcos Villagra

The basic problem in equilibrium statistical mechanics is to compute phase space average, in which Monte Carlo method plays a very important role. We begin with a review of nonlocal algorithms for Markov chain Monte Carlo simulation in…

Statistical Mechanics · Physics 2007-05-23 Jian-Sheng Wang

We present a novel approach to solve the advection-diffusion equation under arbitrary transporting fields using a quantum-inspired 'Schrodingerisation' technique for Hamiltonian simulation. Although numerous methods exist for solving…

Quantum Physics · Physics 2025-08-26 Niladri Gomes , Gautam Sharma , Jay Pathak

Adiabatic quantum optimization offers a new method for solving hard optimization problems. In this paper we calculate median adiabatic times (in seconds) determined by the minimum gap during the adiabatic quantum optimization for an NP-hard…

Combinatorial optimization problems that arise in science and industry typically have constraints. Yet the presence of constraints makes them challenging to tackle using both classical and quantum optimization algorithms. We propose a new…

The many-body dynamics of a quantum computer can be reduced to the time evolution of non-interacting quantum bits in auxiliary fields by use of the Hubbard-Stratonovich representation of two-bit quantum gates in terms of one-bit gates. This…

Quantum Physics · Physics 2007-05-23 N. J. Cerf , S. E. Koonin

We present a new method for realizing the adiabatic connection approach in density functional theory, which is based on combining accurate variational quantum Monte Carlo calculations with a constrained optimization of the ground state…

Materials Science · Physics 2015-06-25 Maziar Nekovee , W. M. C. Foulkes , A. J. Williamson , G. Rajagopal , R. J. Needs