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We introduce a unitary matrix-product operator (UMPO) based variational method that approximately finds all the eigenstates of fully many-body localized (fMBL) one-dimensional Hamiltonians. The computational cost of the variational…

Strongly Correlated Electrons · Physics 2016-08-03 Frank Pollmann , Vedika Khemani , J. Ignacio Cirac , S. L. Sondhi

We consider the task of approximating the ground state energy of two-local quantum Hamiltonians on bounded-degree graphs. Most existing algorithms optimize the energy over the set of product states. Here we describe a family of shallow…

Quantum Physics · Physics 2022-01-05 Anurag Anshu , David Gosset , Karen J. Morenz Korol , Mehdi Soleimanifar

Hamiltonian Monte Carlo is a prominent Markov Chain Monte Carlo algorithm, which employs symplectic integrators to sample from high dimensional target distributions in many applications, such as statistical mechanics, Bayesian statistics…

Numerical Analysis · Mathematics 2025-02-13 Geoffrey McGregor , Andy T. S. Wan

The characteristic polynomial of the effective Hamiltonian for a general model has been discussed. It is found that, compared with the associated energy eigenvalues, this characteristic polynomial generally has better analytical properties…

Strongly Correlated Electrons · Physics 2022-06-08 Yong Zheng

With our recently proposed effective Hamiltonian via Monte Carlo, we are able to compute low energy physics of quantum systems. The advantage is that we can obtain not only the spectrum of ground and excited states, but also wave functions.…

High Energy Physics - Lattice · Physics 2015-06-25 Xiang-Qian Luo , C. Q. Huang , J. Q. Jiang , H. Jirari , H. Kroeger , K. Moriarty

One of the most used approaches in simulating materials is the tight-binding approximation. When using this method in a material simulation, it is necessary to compute the eigenvalues and eigenvectors of the Hamiltonian describing the…

Numerical Analysis · Computer Science 2009-10-29 Matthias Petschow , Edoardo Di Napoli , Paolo Bientinesi

We develop an efficient and robust approach to Hamiltonian identification for multipartite quantum systems based on the method of compressed sensing. This work demonstrates that with only O(s log(d)) experimental configurations, consisting…

Quantum Physics · Physics 2015-03-13 A. Shabani , M. Mohseni , S. Lloyd , R. L. Kosut , H. Rabitz

Quantum process characterization is a fundamental task in quantum information processing, yet conventional methods, such as quantum process tomography, require prohibitive resources and lack scalability. Here, we introduce an efficient…

Quantum Physics · Physics 2025-04-11 Yusen Wu , Yukun Zhang , Chuan Wang , Xiao Yuan

Variational algorithms for strongly correlated chemical and materials systems are one of the most promising applications of near-term quantum computers. We present an extension to the variational quantum eigensolver that approximates the…

Quantum Physics · Physics 2020-08-26 William J. Huggins , Joonho Lee , Unpil Baek , Bryan O'Gorman , K. Birgitta Whaley

With the fast development of quantum technology, the sizes of both digital and analog quantum systems increase drastically. In order to have better control and understanding of the quantum hardware, an important task is to characterize the…

Quantum Physics · Physics 2023-07-05 Wenjun Yu , Jinzhao Sun , Zeyao Han , Xiao Yuan

A new procedure to diagonalize quadratic Hamiltonians is introduced. We show that one can find a unitary transformation such that the transformed quadratic Hamiltonian is diagonal but still written in terms of the original position and…

Quantum Physics · Physics 2022-01-05 Ville J. Härkönen , Ivan A. Gonoskov

Subspace diagonalisation methods have appeared recently as promising means to access the ground state and some excited states of molecular Hamiltonians by classically diagonalising small matrices, whose elements can be efficiently obtained…

Quantum Physics · Physics 2024-03-13 Maria-Andreea Filip , David Muñoz Ramo , Nathan Fitzpatrick

This paper presents a randomized algorithm for computing the near-optimal low-rank dynamic mode decomposition (DMD). Randomized algorithms are emerging techniques to compute low-rank matrix approximations at a fraction of the cost of…

Numerical Analysis · Mathematics 2019-11-28 N. Benjamin Erichson , Lionel Mathelin , Steven L. Brunton , J. Nathan Kutz

Sparse polynomial approximation has become indispensable for approximating smooth, high- or infinite-dimensional functions from limited samples. This is a key task in computational science and engineering, e.g., surrogate modelling in…

Numerical Analysis · Mathematics 2023-11-08 Ben Adcock , Simone Brugiapaglia , Nick Dexter , Sebastian Moraga

In order to perform quantum Hamiltonian dynamics minimizing localization effects, we introduce a quasi-one dimensional tight-binding model whose mean free path is smaller than the size of the sample. This one, in turn, is smaller than the…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 F. M. Cucchietti , H. M. Pastawski

For compact self-adjoint operators in Hilbert spaces, two algorithms are proposed to provide fully computable a posteriori error estimate for eigenfunction approximation. Both algorithms apply well to the case of tight clusters and multiple…

Numerical Analysis · Mathematics 2022-07-19 Xuefeng Liu , Tomáš Vejchodský

Computing the volume of a polytope in high dimensions is computationally challenging but has wide applications. Current state-of-the-art algorithms to compute such volumes rely on efficient sampling of a Gaussian distribution restricted to…

Computation · Statistics 2022-02-22 Augustin Chevallier , Frédéric Cazals , Paul Fearnhead

In our work we construct a Hamiltonian, whose eigenstates approximate the solutions of the self-consistent Hartree-Fock equations for nonrelativistic atoms and ions. Its eigenvalues are given by completely algebraic expressions and the…

Quantum Physics · Physics 2025-06-18 N. Q. San , O. D. Skoromnik , V. V. Triguk , I. D. Feranchuk

Leveraging the coherent exploration of Hamiltonian flow, Hamiltonian Monte Carlo produces computationally efficient Monte Carlo estimators, even with respect to complex and high-dimensional target distributions. When confronted with…

Methodology · Statistics 2015-02-06 M. J. Betancourt

Quantum optimization algorithms hold the promise of solving classically hard, discrete optimization problems in practice. The requirement of encoding such problems in a Hamiltonian realized with a finite -- and currently small -- number of…

Quantum Physics · Physics 2023-07-10 Yifeng Rocky Zhu , David Joseph , Cong Ling , Florian Mintert