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Calculating the energy spectrum of a quantum system is an important task, for example to analyse reaction rates in drug discovery and catalysis. There has been significant progress in developing algorithms to calculate the ground state…

Quantum Physics · Physics 2019-06-12 Suguru Endo , Tyson Jones , Sam McArdle , Xiao Yuan , Simon Benjamin

We consider the estimation of an i.i.d. (possibly non-Gaussian) vector $\xbf \in \R^n$ from measurements $\ybf \in \R^m$ obtained by a general cascade model consisting of a known linear transform followed by a probabilistic componentwise…

Information Theory · Computer Science 2012-12-04 Ulugbek S. Kamilov , Sundeep Rangan , Alyson K. Fletcher , Michael Unser

Engineering long-range interactions in experimental platforms has been achieved with great success in a large variety of quantum systems in recent years. Inspired by this progress, we propose a generalization of the classical Hamiltonian…

Statistical Mechanics · Physics 2022-09-15 Harald Schmid , Johannes Dieplinger , Andrea Solfanelli , Sauro Succi , Stefano Ruffo

We consider a class of random quantum circuits where at each step a gate from a universal set is applied to a random pair of qubits, and determine how quickly averages of arbitrary finite-degree polynomials in the matrix elements of the…

Quantum Physics · Physics 2015-05-14 Winton G. Brown , Lorenza Viola

Neural networks are emerging as a powerful tool for determining the quantum states of interacting many-body fermionic systems. The standard approach trains a neural-network ansatz by minimizing the mean local energy estimated from Monte…

Superconductivity · Physics 2026-04-02 Dezhe Z. Jin

We propose an extended version of the symmetry-adapted variational-quantum-eigensolver (VQE) and apply it to a two-component Fermi-Hubbard model on a bipartite lattice. In the extended symmetry-adapted VQE method, the Rayleigh quotient for…

Quantum Physics · Physics 2022-03-11 Kazuhiro Seki , Seiji Yunoki

The efficient computation of observables beyond the total energy is a key challenge and opportunity for fault-tolerant quantum computing approaches in quantum chemistry. Here we consider the symmetry-adapted perturbation theory (SAPT)…

We present a general method for approximately contracting tensor networks with an arbitrary connectivity. This enables us to release the computational power of tensor networks to wide use in inference and learning problems defined on…

Computational Physics · Physics 2020-08-12 Feng Pan , Pengfei Zhou , Sujie Li , Pan Zhang

We construct a quantum Monte Carlo algorithm for interacting fermions using the two-body density as the fundamental quantity. The central idea is mapping the interacting fermionic system onto an auxiliary system of interacting bosons. The…

Statistical Mechanics · Physics 2008-07-30 Balazs Hetenyi , L. Brualla , S. Fantoni

The Bethe approximation, discovered in statistical physics, gives an efficient algorithm called belief propagation (BP) for approximating a partition function. BP empirically gives an accurate approximation for many problems, e.g.,…

Information Theory · Computer Science 2012-10-11 Ryuhei Mori , Toshiyuki Tanaka

The physics of quantum mechanics is the inspiration for, and underlies, quantum computation. As such, one expects physical intuition to be highly influential in the understanding and design of many quantum algorithms, particularly…

Quantum Physics · Physics 2017-01-06 Guang Hao Low , Isaac L. Chuang

Simulating the Hubbard model is of great interest to a wide range of applications within condensed matter physics, however its solution on classical computers remains challenging in dimensions larger than one. The relative simplicity of…

Quantum Physics · Physics 2025-05-21 Antonios M. Alvertis , Abid Khan , Thomas Iadecola , Peter P. Orth , Norm Tubman

We present a classical simulation method for fermionic quantum systems which, without loss of generality, can be represented by parity-preserving circuits made of two-qubit gates in a brick-wall structure. We map such circuits to a…

Quantum Physics · Physics 2025-04-29 Carolin Wille , Sergii Strelchuk

A parameter method is introduced in order to estimate the relationship among the various variables of a system in equilibrium, where the potential energy functions are incompletely known or the quantum mechanical calculations very…

General Physics · Physics 2011-05-12 Walton R. Gutierrez

The expectation value of the Hamiltonian using a model wave function is widely used to estimate the eigenvalues of electronic Hamiltonians. We explore here a modified formula for models based on long-range interaction. It scales differently…

Chemical Physics · Physics 2024-06-13 Anthony Scemama , Andreas Savin

A broad spectrum of physical systems in condensed-matter and high-energy physics, vibrational spectroscopy, and circuit and cavity QED necessitates the incorporation of bosonic degrees of freedom, such as phonons, photons, and gluons, into…

Quantum Physics · Physics 2025-02-28 Bo Peng , Yuan Su , Daniel Claudino , Karol Kowalski , Guang Hao Low , Martin Roetteler

The discretization approximation method commonly used to simulate the dynamics of quantum system coupled to the environment in continuum often suffers from the periodically partial recovery of initial state because of the effect of finite…

Quantum Physics · Physics 2025-05-07 H. T. Cui , Y. A. Yan , M. Qin , X. X. Yi

We show how the notion of message passing can be used to streamline the algebra and computer coding for fast approximate inference in large Bayesian semiparametric regression models. In particular, this approach is amenable to handling…

Methodology · Statistics 2016-04-07 M. P. Wand

We present a wave function representation for the canonical ensemble thermal density matrix by projecting the thermofield double state against the desired number of particles. The resulting canonical thermal state obeys an imaginary…

Chemical Physics · Physics 2020-10-28 Gaurav Harsha , Thomas M. Henderson , Gustavo E. Scuseria

The sparse Beyesian learning (also referred to as Bayesian compressed sensing) algorithm is one of the most popular approaches for sparse signal recovery, and has demonstrated superior performance in a series of experiments. Nevertheless,…

Information Theory · Computer Science 2015-01-21 Fuwei Li , Jun Fang , Huiping Duan , Zhi Chen , Hongbin Li
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