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Simulations of quantum chemistry and quantum materials are believed to be among the most important potential applications of quantum information processors, but realizing practical quantum advantage for such problems is challenging. Here,…

We provide a quantum algorithm for simulating the dynamics of sparse Hamiltonians with complexity sublogarithmic in the inverse error, an exponential improvement over previous methods. Specifically, we show that a $d$-sparse Hamiltonian $H$…

Quantum Physics · Physics 2014-10-09 Dominic W. Berry , Andrew M. Childs , Richard Cleve , Robin Kothari , Rolando D. Somma

Quantum state tomography is an essential tool for the characterization and verification of quantum states. However, as it cannot be directly applied to systems with more than a few qubits, efficient tomography of larger states on mid-sized…

Quantum Physics · Physics 2023-02-01 Yotam Y. Lifshitz , Eyal Bairey , Eli Arbel , Gadi Aleksandrowicz , Haggai Landa , Itai Arad

We consider two related tasks: (a) estimating a parameterisation of a given Gibbs state and expectation values of Lipschitz observables on this state; and (b) learning the expectation values of local observables within a thermal or quantum…

Quantum Physics · Physics 2024-09-09 Emilio Onorati , Cambyse Rouzé , Daniel Stilck França , James D. Watson

Accurate simulation of nuclear quantum effects is essential for molecular modeling but expensive using path integral molecular dynamics (PIMD). We present GG-PI, a ring-polymer-based framework that combines generative modeling of the…

Chemical Physics · Physics 2026-01-29 Weizhou Wang , Xuanxi Zhang , Jonathan Weare , Aaron R. Dinner

A pivotal task for quantum computing is to speed up solving problems that are both classically intractable and practically valuable. Among these, combinatorial optimization problems have attracted tremendous attention due to their broad…

The particle Gibbs (PG) sampler is a Markov Chain Monte Carlo (MCMC) algorithm, which uses an interacting particle system to perform the Gibbs steps. Each Gibbs step consists of simulating a particle system conditioned on one particle path.…

Computation · Statistics 2018-06-19 Bernd Kuhlenschmidt , Sumeetpal S. Singh

We consider Ising models on the hypercube with a general interaction matrix $J$, and give a polynomial time sampling algorithm when all but $O(1)$ eigenvalues of $J$ lie in an interval of length one, a situation which occurs in many models…

Data Structures and Algorithms · Computer Science 2022-02-21 Frederic Koehler , Holden Lee , Andrej Risteski

We propose a novel blocked version of the continuous-time bouncy particle sampler of [Bouchard-C\^ot\'e et al., 2018] which is applicable to any differentiable probability density. This alternative implementation is motivated by blocked…

Computation · Statistics 2021-07-12 Jacob Vorstrup Goldman , Sumeetpal Sidhu Singh

Quantum systems typically reach thermal equilibrium rather quickly when coupled to a thermal environment. The usual way of bounding the speed of this process is by estimating the spectral gap of the dissipative generator. However the gap,…

Quantum Physics · Physics 2026-01-08 Jan Kochanowski , Alvaro M. Alhambra , Angela Capel , Cambyse Rouzé

We present a quantum algorithm for the dynamical simulation of time-dependent Hamiltonians. Our method involves expanding the interaction-picture Hamiltonian as a sum of generalized permutations, which leads to an integral-free Dyson series…

Quantum Physics · Physics 2021-09-15 Yi-Hsiang Chen , Amir Kalev , Itay Hen

The Hamiltonian Monte Carlo (HMC) algorithm is often lauded for its ability to effectively sample from high-dimensional distributions. In this paper we challenge the presumed domination of HMC for the Bayesian analysis of GLMs. By utilizing…

This paper is concerned with tuning friction and temperature in Langevin dynamics for fast sampling from the canonical ensemble. We show that near-optimal acceleration is achieved by choosing friction so that the local quadratic…

Computational Physics · Physics 2010-07-08 Molei Tao , Houman Owhadi , Jerrold E. Marsden

A popular method for sampling from high-dimensional distributions is the \emph{Gibbs sampler}, which iteratively resamples sites from the conditional distribution of the desired measure given the values of the other coordinates. It is…

Probability · Mathematics 2025-07-22 Jason Gaitonde , Elchanan Mossel

Markov jump processes (or continuous-time Markov chains) are a simple and important class of continuous-time dynamical systems. In this paper, we tackle the problem of simulating from the posterior distribution over paths in these models,…

Computation · Statistics 2013-10-21 Vinayak Rao , Yee Whye Teh

Gaussian process emulators of computationally expensive computer codes provide fast statistical approximations to model physical processes. The training of these surrogates depends on the set of design points chosen to run the simulator.…

Computation · Statistics 2016-08-16 A. Garbuno-Inigo , F. A. DiazDelaO , K. M. Zuev

We establish efficient algorithms for weakly-interacting quantum spin systems at arbitrary temperature. In particular, we obtain a fully polynomial-time approximation scheme for the partition function and an efficient approximate sampling…

Quantum Physics · Physics 2026-01-30 Ryan L. Mann , Gabriel Waite

We consider generalized quantum Ising models, including those which could describe disordered materials or quantum annealers, and we prove that for all temperatures above a system-size independent threshold the path integral Monte Carlo…

Quantum Physics · Physics 2025-07-16 Elizabeth Crosson , Samuel Slezak

We present a perfect sampling algorithm for Gibbs point processes, based on the partial rejection sampling of Guo et al. (2017). Our particular focus is on pairwise interaction processes, penetrable spheres mixture models and…

Probability · Mathematics 2019-01-18 Sarat B. Moka , Dirk P. Kroese

Many quantum algorithms can be seen as a transition from a well-defined initial quantum state of a complex quantum system, to an unknown target quantum state, corresponding to a certain eigenvalue either of the Hamiltonian or of a…

Quantum Physics · Physics 2022-07-19 Aikaterini Mandilara , Daniil Fedotov , Vladimir M. Akulin
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