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Quantum mechanics/molecular mechanics (QM/MM) molecular dynamics (MD) simulations have been developed to simulate molecular systems, where an explicit description of changes in the electronic structure is necessary. However, QM/MM MD…

Chemical Physics · Physics 2021-04-15 Lennard Böselt , Moritz Thürlemann , Sereina Riniker

When a system undergoes a quantum phase transition, the ground-state wave-function shows a change of nature, which can be monitored using the fidelity concept. We introduce two Quantum Monte Carlo schemes that allow the computation of…

Strongly Correlated Electrons · Physics 2009-10-21 David Schwandt , Fabien Alet , Sylvain Capponi

Simulations of colloidal suspensions consisting of mesoscopic particles and smaller species such as ions or depletants are computationally challenging as different length and time scales are involved. Here, we introduce a machine learning…

Soft Condensed Matter · Physics 2021-12-01 Gerardo Campos-Villalobos , Emanuele Boattini , Laura Filion , Marjolein Dijkstra

Being the most classical generative model for serial data, state-space models (SSM) are fundamental in AI and statistical machine learning. In SSM, any form of parameter learning or latent state inference typically involves the computation…

Machine Learning · Statistics 2024-07-04 Alessandro Mastrototaro , Jimmy Olsson

Experimental quantum simulators have become large and complex enough that discovering new physics from the huge amount of measurement data can be quite challenging, especially when little theoretical understanding of the simulated model is…

Quantum Physics · Physics 2020-12-08 Alexander Lidiak , Zhexuan Gong

We use the Fortuin-Kasteleyn representation based improved estimator of the correlation configuration as an alternative to the ordinary correlation configuration in the machine-learning study of the phase classification of spin models. The…

Statistical Mechanics · Physics 2020-08-14 Yusuke Tomita , Kenta Shiina , Yutaka Okabe , Hwee Kuan Lee

Quantum machine learning (QML) is rapidly transitioning from theoretical promise to practical relevance across data-intensive scientific domains. In this Review, we provide a structured overview of recent advances that bridge foundational…

Quantum Physics · Physics 2026-02-25 Vinit Singh , Amandeep Singh Bhatia , Mandeep Kaur Saggi , Manas Sajjan , Sabre Kais

Data-driven techniques are increasingly used to replace electronic-structure calculations of matter. In this context, a relevant question is whether machine learning (ML) should be applied directly to predict the desired properties or be…

Reconstructing quantum states from measurement data represents a formidable challenge in quantum information science, especially as system sizes grow beyond the reach of traditional tomography methods. While recent studies have explored…

Quantum Physics · Physics 2026-04-06 Shabnam Jabeen , Dmytro Kurdydyk , Aadi Palnitkar , Mihir Talati , Jeffrey Yan , Jinghong Yang

Monte Carlo simulations are useful tools for modeling quantum systems, but in some cases they suffer from a sign problem, leading to an exponential slow down in their convergence to a value. While solving the sign problem is generically…

Quantum Physics · Physics 2022-12-21 T. C. Mooney , Jacob Bringewatt , Neill C. Warrington , Lucas T. Brady

The area of Machine learning (ML) has seen exceptional growth in recent years. Successful implementation of ML methods in various branches of physics has led to new insights. These methods have been shown to classify phases in condensed…

Statistical Mechanics · Physics 2021-05-25 Karthik Padavala , Avaneesh Singh , Joyjit Kundu

We introduces the Quantum-Train(QT) framework, a novel approach that integrates quantum computing with classical machine learning algorithms to address significant challenges in data encoding, model compression, and inference hardware…

Computing the ground-state properties of quantum many-body systems is a promising application of near-term quantum hardware with a potential impact in many fields. The conventional algorithm quantum phase estimation uses deep circuits and…

Quantum Physics · Physics 2023-02-14 Mingxia Huo , Ying Li

State space models (SSM) have been widely applied for the analysis and visualization of large sequential datasets. Sequential Monte Carlo (SMC) is a very popular particle-based method to sample latent states from intractable posteriors.…

Machine Learning · Computer Science 2019-01-07 Duo Xu

We put forward a Monte Carlo algorithm that samples the Euclidean time operator growth dynamics at infinite temperature. Crucially, our approach is free from the numerical sign problem for a broad family of quantum many-body spin systems,…

Strongly Correlated Electrons · Physics 2024-11-26 Ayush De , Umberto Borla , Xiangyu Cao , Snir Gazit

Machine learning (ML) can be used in various ways to improve multi-user multiple-input multiple-output (MU-MIMO) receive processing. Typical approaches either augment a single processing step, such as symbol detection, or replace multiple…

Information Theory · Computer Science 2021-07-01 Mathieu Goutay , Fayçal Ait Aoudia , Jakob Hoydis , Jean-Marie Gorce

We perform quantum simulation on classical and quantum computers and set up a machine learning framework in which we can map out phase diagrams of known and unknown quantum many-body systems in an unsupervised fashion. The classical…

Quantum Physics · Physics 2022-10-21 Korbinian Kottmann

Quantum many-body (QMB) systems are generally computationally hard: the computing resources necessary to simulate them exactly can often exceed the existing computation resources by orders of magnitude. For this reason, Richard Feynman…

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…

Other Condensed Matter · Physics 2010-08-16 Michal Bajdich , Lubos Mitas

Quantum machine learning (QML) offers a promising avenue for advancing representation learning in complex signal domains. In this study, we investigate the use of parameterised quantum circuits (PQCs) for speech emotion recognition (SER) a…

Machine Learning · Computer Science 2025-06-26 Thejan Rajapakshe , Rajib Rana , Farina Riaz , Sara Khalifa , Björn W. Schuller