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The problem of learning the structure of a high dimensional graphical model from data has received considerable attention in recent years. In many applications such as sensor networks and proteomics it is often expensive to obtain samples…

Machine Learning · Statistics 2016-04-08 Gautam Dasarathy , Aarti Singh , Maria-Florina Balcan , Jong Hyuk Park

Most non-relativistic interacting quantum many-body systems, such as atomic and molecular ensembles or materials, are naturally described in terms of continuous-space Hamiltonians. The simulation of their ground-state properties on digital…

Quantum Physics · Physics 2024-09-11 Friederike Metz , Gabriel Pescia , Giuseppe Carleo

We develop Monte Carlo methods for sampling random states and corresponding bit strings in qubit systems. To this end, we derive exact probability density functions that yield the Porter-Thomas distribution in the limit of large systems. We…

Quantum Physics · Physics 2025-09-05 Andreas Raab

An isolated system of interacting quantum particles is described by a Hamiltonian operator. Hamiltonian models underpin the study and analysis of physical and chemical processes throughout science and industry, so it is crucial they are…

The development of numerical methods capable of simulating realistic materials with strongly correlated electrons, with controllable errors, is a central challenge in quantum many-body physics. Here we describe how a hybrid between…

Strongly Correlated Electrons · Physics 2015-04-23 Alexei A. Kananenka , Emanuel Gull , Dominika Zgid

Hamiltonian dynamics describe a wide range of physical systems. As such, data-driven simulations of Hamiltonian systems are important for many scientific and engineering problems. In this work, we propose kernel-based methods for…

Numerical Analysis · Mathematics 2025-09-23 Yasamin Jalalian , Mostafa Samir , Boumediene Hamzi , Peyman Tavallali , Houman Owhadi

Quantum many-body systems realise many different phases of matter characterised by their exotic emergent phenomena. While some simple versions of these properties can occur in systems of free fermions, their occurrence generally implies…

Strongly Correlated Electrons · Physics 2019-10-04 Samuel Spillard , Christopher J. Turner , Konstantinos Meichanetzidis

Proposed here is a dynamic Monte-Carlo algorithm that is efficient in simulating dense systems of long flexible chain molecules. It expands on the configurational-bias Monte-Carlo method through the simultaneous generation of a large set of…

Statistical Mechanics · Physics 2018-08-29 Niels Boon

Recently, generative machine-learning models have gained popularity in physics, driven by the goal of improving the efficiency of Markov chain Monte Carlo techniques and of exploring their potential in capturing experimental data…

Statistical Mechanics · Physics 2021-09-03 Japneet Singh , Vipul Arora , Vinay Gupta , Mathias S. Scheurer

A simple technique is proposed for numerically determining equilibrium ion distribution functions belonging to free energies of the Poisson-Boltzmann type. The central idea is to perform a conventional Monte-Carlo simulation using the free…

Soft Condensed Matter · Physics 2009-10-31 Markus Deserno

This study explores the use of neural network-based analytic continuation to extract spectra from Monte Carlo data. We apply this technique to both synthetic and Monte Carlo-generated data. The training sets for neural networks are…

Disordered Systems and Neural Networks · Physics 2023-07-18 Kai-Wei Sun , Fa Wang

Monte Carlo simulations have boosted the numerical study of several different physical systems and in particular, the canonical ensemble has been especially useful because of the existence of easy and efficient relaxation algorithms…

Statistical Mechanics · Physics 2019-10-29 G. Palma , A. Riveros

Bridging the 'reality gap' that separates simulated robotics from experiments on hardware could accelerate robotic research through improved data availability. This paper explores domain randomization, a simple technique for training models…

Robotics · Computer Science 2017-03-22 Josh Tobin , Rachel Fong , Alex Ray , Jonas Schneider , Wojciech Zaremba , Pieter Abbeel

We design generative neural networks that generate Monte Carlo configurations with complete absence of autocorrelation from which only short Markov chains are needed before making measurements for physical observables, irrespective of the…

Strongly Correlated Electrons · Physics 2022-05-25 Hongyu Lu , Chuhao Li , Bin-Bin Chen , Wei Li , Yang Qi , Zi Yang Meng

When applying quantum computing to machine learning tasks, one of the first considerations is the design of the quantum machine learning model itself. Conventionally, the design of quantum machine learning algorithms relies on the…

Quantum Physics · Physics 2024-08-02 Peiyong Wang , Casey R. Myers , Lloyd C. L. Hollenberg , Udaya Parampalli

The dual-fermion approach provides a formally exact prescription for calculating properties of a correlated electron system in terms of a diagrammatic expansion around dynamical mean-field theory (DMFT). Most practical implementations,…

Strongly Correlated Electrons · Physics 2017-08-02 Jan Gukelberger , Evgeny Kozik , Hartmut Hafermann

The effective spin Hamiltonian method is widely adopted to simulate and understand the behavior of magnetism. However, the magnetic interactions of some systems, such as itinerant magnets, are too complex to be described by any explicit…

Materials Science · Physics 2022-05-20 Hongyu Yu , Changsong Xu , Feng Lou , L. Bellaiche , Zhenpeng Hu , Xingao Gong , Hongjun Xiang

The observation and description of collective excitations in solids is a fundamental issue when seeking to understand the physics of a many-body system. Analysis of these excitations is usually carried out by measuring the dynamical…

The dynamics of physical systems is often constrained to lower dimensional sub-spaces due to the presence of conserved quantities. Here we propose a method to learn and exploit such symmetry constraints building upon Hamiltonian Neural…

Machine Learning · Computer Science 2021-04-30 Marc Syvaeri , Sven Krippendorf

In this note, variational Monte Carlo method based on neural quantum states for spin systems is reviewed. Using a neural network as the wave function allows for a more generalized expression of various types of interactions, including…

Strongly Correlated Electrons · Physics 2024-06-04 Yuntai Song
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