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Quantum Monte Carlo (QMC) is an advanced simulation methodology for studies of manybody quantum systems. In this review, we focus on the electronic structure QMC, i.e., methods relevant for systems described by the electron-ion…
In statistical analysis, Monte Carlo (MC) stands as a classical numerical integration method. When encountering challenging sample problem, Markov chain Monte Carlo (MCMC) is a commonly employed method. However, the MCMC estimator is biased…
We extend the newly proposed probability-changing cluster (PCC) Monte Carlo algorithm to the study of systems with the vector order parameter. Wolff's idea of the embedded cluster formalism is used for assigning clusters. The…
The auxiliary field quantum Monte Carlo (AFQMC) method has been a workhorse in the field of strongly correlated electrons for a long time and has found its most recent implementation in the ALF package (https://alf.physik.uni-wuerzburg.de).…
Markov chain Monte Carlo (MCMC) is one of the main workhorses of probabilistic inference, but it is notoriously hard to measure the quality of approximate posterior samples. This challenge is particularly salient in black box inference…
We show how simple kinks and jumps of otherwise smooth integrands over $\mathbb{R}^d$ can be dealt with by a preliminary integration with respect to a single well chosen variable. It is assumed that this preintegration, or conditional…
Quantum Monte Carlo (QMC) techniques are widely used in a variety of scientific problems and much work has been dedicated to developing optimized algorithms that can accelerate QMC on standard processors (CPU). With the advent of various…
We establish the geometric ergodicity of the preconditioned Hamiltonian Monte Carlo (HMC) algorithm defined on an infinite-dimensional Hilbert space, as developed in [Beskos et al., Stochastic Process. Appl., 2011]. This algorithm can be…
We study multivariate integration and approximation for functions belonging to a weighted reproducing kernel Hilbert space based on half-period cosine functions in the worst-case setting. The weights in the norm of the function space depend…
A finite set of integers $A$ tiles the integers by translations if $\mathbb{Z}$ can be covered by pairwise disjoint translated copies of $A$. Restricting attention to one tiling period, we have $A\oplus B=\mathbb{Z}_M$ for some…
Quantum lattice models with large local Hilbert spaces emerge across various fields in quantum many-body physics. Problems such as the interplay between fermions and phonons, the BCS-BEC crossover of interacting bosons, or decoherence in…
We consider the application of a quasi-Monte Carlo cubature rule to Bayesian shape inversion subject to the Poisson equation under Gevrey regular parameterizations of domain uncertainty. We analyze the parametric regularity of the…
Matrix approximations are a key element in large-scale algebraic machine learning approaches. The recently proposed method MEKA (Si et al., 2014) effectively employs two common assumptions in Hilbert spaces: the low-rank property of an…
Solving partial differential equations in high dimensions by deep neural network has brought significant attentions in recent years. In many scenarios, the loss function is defined as an integral over a high-dimensional domain. Monte-Carlo…
We have reformulated the quantum Monte Carlo (QMC) technique so that a large part of the calculation scales linearly with the number of atoms. The reformulation is related to a recent alternative proposal for achieving linear-scaling QMC,…
Finite-temperature phase transitions in quasi-one-dimensional quarter-filled systems are investigated by the extended Hubbard model with electron-lattice coupling. Using a quantum Monte Carlo method combined with the inter-chain mean-field…
We derive two families of EA-QC quantum LDPC (EA-QC-QLDPC) codes by tiling permutation matrices of prime and composite orders. The unassisted portion of the Tanner graphs corresponding to these codes, constructed from two distinct classical…
Monte Carlo methods play a central role in particle physics, where they are indispensable for simulating scattering processes, modeling detector responses, and performing multi-dimensional integrals. However, traditional Monte Carlo methods…
We use the stochastic series expansion quantum Monte Carlo method to study the Heisenberg models on the square lattice with strong and weak couplings in the form of three different plaquette arrangements known as checkerboard models…
We propose the quasi-Monte Carlo method for linear combination of unitaries via classical post-processing (LCU-CPP) on quantum applications. The LCU-CPP framework has been proposed as an approach to reduce hardware resources, expressing a…