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A systematically improvable wave function is proposed for the numerical solution of strongly correlated systems. With a stochastic optimization method, based on the auxiliary field quantum Monte Carlo technique, an effective temperature…

Strongly Correlated Electrons · Physics 2022-03-22 Sandro Sorella

The heating of trapped ions due to the interaction with a {\it quantized environment} is studied {\it without performing the Born-Markov approximation}. A generalized master equation local in time is derived and a novel theoretical approach…

Quantum Physics · Physics 2009-11-07 F. Intravaia , S. Maniscalco , J. Piilo , A. Messina

Mean field-like approximations (including naive mean field, Bethe and Kikuchi and more general Cluster Variational Methods) are known to stabilize ordered phases at temperatures higher than the thermodynamical transition. For example, in…

Disordered Systems and Neural Networks · Physics 2015-06-22 A. Lage-Castellanos , R. Mulet , F. Ricci-Tersenghi

When one tries to simulate quantum spin systems by the Monte Carlo method, often the 'minus-sign problem' is encountered. In such a case, an application of probabilistic methods is not possible. In this paper the method has been proposed…

Statistical Mechanics · Physics 2009-11-11 Jacek Wojtkiewicz

Accounting for inaccuracies in Monte Carlo simulations is a crucial step in any high energy physics analysis. It becomes especially important when training machine learning models, which can amplify simulation inaccuracies and introduce…

High Energy Physics - Phenomenology · Physics 2023-09-29 Samuel Bright-Thonney , Philip Harris , Patrick McCormack , Simon Rothman

We propose a new sampler that integrates the protocol of parallel tempering with the Nos\'e-Hoover (NH) dynamics. The proposed method can efficiently draw representative samples from complex posterior distributions with multiple isolated…

Machine Learning · Statistics 2018-12-10 Rui Luo , Qiang Zhang , Yuanyuan Liu

The fermion sign problem appearing in the mean-field approximation is considered, and the systematic computational scheme of the free energy is devised by using the Lefschetz-thimble method. We show that the Lefschetz-thimble method…

High Energy Physics - Theory · Physics 2015-06-03 Yuya Tanizaki , Hiromichi Nishimura , Kouji Kashiwa

We develop a new numerical scheme which allows precise solution of coherent tunneling problems, i.e., problems with exponentially small transition amplitudes between quasidegenerate states. We explain how this method works for the…

Condensed Matter · Physics 2007-05-23 Nikolai Prokof'ev , Boris Svistunov , Igor Tupitsyn

Bayesian inference is useful to obtain a predictive distribution with a small generalization error. However, since posterior distributions are rarely evaluated analytically, we employ the variational Bayesian inference or sampling method to…

Machine Learning · Computer Science 2025-09-03 Yohei Saito , Shun Kimura , Koujin Takeda

We present an algorithm to sample stochastic differential equations conditioned on rather general constraints, including integral constraints, endpoint constraints, and stochastic integral constraints. The algorithm is a pathspace…

Machine Learning · Statistics 2025-06-23 Tobias Grafke

The Worldvolume Hybrid Monte Carlo (WV-HMC) method [arXiv:2012.08468] is an efficient algorithm for addressing the numerical sign problem at moderate computational cost. It mitigates the sign problem while avoiding the ergodicity issues…

Strongly Correlated Electrons · Physics 2026-05-15 Masafumi Fukuma , Yusuke Namekawa

The multilevel blocking algorithm recently proposed as a possible solution to the sign problem in path-integral Monte Carlo simulations has been extended to systems with long-ranged interactions along the Trotter direction. As an…

Chemical Physics · Physics 2009-11-06 R. Egger , L. Muehlbacher , C. H. Mak

Parallel tempering Monte Carlo has proven to be an efficient method in optimization and sampling applications. Having an optimized temperature set enhances the efficiency of the algorithm through more-frequent replica visits to the…

Computational Physics · Physics 2019-11-11 Ignacio Rozada , Maliheh Aramon , Jonathan Machta , Helmut G. Katzgraber

We present a quantum Monte Carlo method capable of sampling the full density matrix of a many-particle system at finite temperature. This allows arbitrary reduced density matrix elements and expectation values of complicated non-local…

Computational Physics · Physics 2015-06-15 N. S. Blunt , T. W. Rogers , J. S. Spencer , W. M. C. Foulkes

This paper describes an algorithm for selecting parameter values (e.g. temperature values) at which to measure equilibrium properties with Parallel Tempering Monte Carlo simulation. Simple approaches to choosing parameter values can lead to…

Other Condensed Matter · Physics 2015-05-18 Firas Hamze , Neil Dickson , Kamran Karimi

We consider the problem of inference in discrete probabilistic models, that is, distributions over subsets of a finite ground set. These encompass a range of well-known models in machine learning, such as determinantal point processes and…

Machine Learning · Computer Science 2018-07-10 Alkis Gotovos , Hamed Hassani , Andreas Krause , Stefanie Jegelka

Multimodal structures in the sampling density (e.g. two competing phases) can be a serious problem for traditional Markov Chain Monte Carlo (MCMC), because correct sampling of the different structures can only be guaranteed for infinite…

Data Analysis, Statistics and Probability · Physics 2009-11-11 M. Daghofer , M. Konegger , H. G. Evertz , W. von der Linden

This article proposes a Variational Quantum Algorithm to solve linear and nonlinear thermofluid dynamic transport equations. The hybrid classical-quantum framework is applied to problems governed by the heat, wave, and Burgers' equation in…

Quantum Physics · Physics 2025-11-06 Sergio Bengoechea , Paul Over , Dieter Jaksch , Thomas Rung

In this paper, we suggest a novel sampling method for Monte Carlo molecular simulations. In order to perform efficient sampling of molecular systems, it is advantageous to avoid extremely high energy configurations while also retaining the…

Computational Physics · Physics 2019-07-18 Katsuhiro Endo , Daisuke Yuhara , Kenji Yasuoka

I discuss optimized data analysis and Monte Carlo methods. Reweighting methods are discussed through examples, like Lee-Yang zeroes in the Ising model and the absence of deconfinement in QCD. I discuss reweighted data analysis and…

Disordered Systems and Neural Networks · Physics 2008-02-03 Enzo Marinari