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We propose a new method for Hybrid Monte Carlo (HMC) simulations with odd numbers of dynamical fermions on the lattice. It employs a different approach from polynomial or rational HMC. In this method, gamma-five hermiticity of the lattice…

High Energy Physics - Lattice · Physics 2015-05-27 Kenji Ogawa

We propose sequential Monte Carlo (SMC) methods for sampling the posterior distribution of state-space models under highly informative observation regimes, a situation in which standard SMC methods can perform poorly. A special case is…

Computation · Statistics 2015-07-10 Pierre Del Moral , Lawrence M. Murray

Auxiliary Field Quantum Monte Carlo (AFQMC) has emerged as a powerful framework for treating strongly correlated electronic systems, offering a favorable balance between computational cost and accuracy. In this paper, we present a novel…

Chemical Physics · Physics 2026-04-03 Maxine Luo , Victor Chen , Yu Wang , Christian B. Mendl

For optimal accuracy, auxiliary-field quantum Monte Carlo (AFQMC) requires trial states consisting of multiple Slater determinants. We develop an efficient algorithm to select the determinants from an AFQMC random walk eliminating the need…

Chemical Physics · Physics 2025-07-08 Zoran Sukurma , Martin Schlipf , Georg Kresse

The so-called phaseless quantum Monte-Carlo method currently offers one of the best performing theoretical framework to investigate interacting Fermi systems. It allows to extract an approximate ground-state wavefunction by averaging…

Strongly Correlated Electrons · Physics 2017-03-31 Olivier Juillet , Alexandre Leprévost , Jérémy Bonnard , Raymond Frésard

In the context of Monte Carlo sampling for lattice models, the complexity of the energy landscape often leads to Markov chains being trapped in local optima, thereby increasing the correlation between samples and reducing sampling…

Statistical Mechanics · Physics 2024-10-29 Jiewei Ding , Jiahao Su , Ho-Kin Tang , Wing Chi Yu

We present a universal quantum Monte Carlo algorithm for simulating arbitrary high-spin (spin greater than 1/2) Hamiltonians, based on the recently developed permutation matrix representation (PMR) framework. Our approach extends a…

Computational Physics · Physics 2026-01-27 Arman Babakhani , Lev Barash , Itay Hen

We introduce a Quantum Monte Carlo (QMC) method which efficiently simulates in a sign-problem-free way a broad class of frustrated $S=1/2$ models with competing antiferromagnetic interactions. Our scheme uses the basis of total spin…

Strongly Correlated Electrons · Physics 2016-11-09 Fabien Alet , Kedar Damle , Sumiran Pujari

The self-learning Metropolis-Hastings algorithm is a powerful Monte Carlo method that, with the help of machine learning, adaptively generates an easy-to-sample probability distribution for approximating a given hard-to-sample distribution.…

Quantum Physics · Physics 2021-01-04 Katsuhiro Endo , Taichi Nakamura , Keisuke Fujii , Naoki Yamamoto

Simulating models for quantum correlated matter unveils the inherent limitations of deterministic classical computations. In particular, in the case of quantum Monte Carlo methods, this is manifested by the emergence of negative weight…

Strongly Correlated Electrons · Physics 2022-11-23 Tian-Cheng Yi , Richard T. Scalettar , Rubem Mondaini

We introduce a Hamiltonian Monte Carlo (HMC) methodology based on a randomized selection of integration times, referred to as eHMC, where "e" stands for empirical. The approach relies on an offline calibration phase that leverages…

Computation · Statistics 2026-05-25 Changye Wu , Pierre Pudlo , Christian P. Robert , Julien Stoehr

These lecture notes introduce quantum spin systems and several computational methods for studying their ground-state and finite-temperature properties. Symmetry-breaking and critical phenomena are first discussed in the simpler setting of…

Strongly Correlated Electrons · Physics 2015-03-17 Anders W. Sandvik

The principle and the efficiency of the Monte Carlo transfer-matrix algorithm are discussed. Enhancements of this algorithm are illustrated by applications to several phase transitions in lattice spin models. We demonstrate how the…

Condensed Matter · Physics 2009-10-28 M. P. Nightingale , H. W. J. Bloete

Artificial Neural Networks were recently shown to be an efficient representation of highly-entangled many-body quantum states. In practical applications, neural-network states inherit numerical schemes used in Variational Monte Carlo, most…

Disordered Systems and Neural Networks · Physics 2020-01-22 Or Sharir , Yoav Levine , Noam Wies , Giuseppe Carleo , Amnon Shashua

We study the XY model on a spherical surface inspired by recently realized spherically confined atomic gases. Instead of a traditional latitude-longitude lattice, we introduce a much more homogeneous spherical lattice, the Fibonacci…

Quantum Gases · Physics 2024-10-11 Chen-Hui Song , Qu-Cheng Gao , Xu-Yang Hou , Xin Wang , Zheng Zhou , Yan He , Hao Guo , Chih-Chun Chien

We propose a modification of the Hybrid-Monte-Carlo algorithm that allows for a larger step-size of the integration scheme at constant acceptance rate. The key ingredient is the splitting of the pseudo-fermion action into two parts. We test…

High Energy Physics - Lattice · Physics 2015-06-25 M. Hasenbusch , K. Jansen

Stochastic gradient Markov chain Monte Carlo (SG-MCMC) has become increasingly popular for simulating posterior samples in large-scale Bayesian modeling. However, existing SG-MCMC schemes are not tailored to any specific probabilistic…

Machine Learning · Statistics 2018-06-13 Wenbo Gong , Yingzhen Li , José Miguel Hernández-Lobato

Employing the self-learning quantum Monte Carlo algorithm, we investigate the frustrated transverse-field triangle-lattice Ising model coupled to a Fermi surface. Without fermions, the spin degrees of freedom undergoes a second-order…

Strongly Correlated Electrons · Physics 2018-07-17 Zi Hong Liu , Xiao Yan Xu , Yang Qi , Kai Sun , Zi Yang Meng

We found that Bidirectional LSTM and Transformer can classify different phases of condensed matter models and determine the phase transition points by learning features in the Monte Carlo raw data before equilibrium. Our method can…

Strongly Correlated Electrons · Physics 2022-09-15 Jiewei Ding , Ho-Kin Tang , Wing Chi Yu

Quantum computing has long promised transformative advances in data analysis, yet practical quantum machine learning has remained elusive due to fundamental obstacles such as a steep quantum cost for the loading of classical data and poor…

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