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Hidden Quantum Markov Models (HQMMs) can be thought of as quantum probabilistic graphical models that can model sequential data. We extend previous work on HQMMs with three contributions: (1) we show how classical hidden Markov models…

Machine Learning · Statistics 2017-10-26 Siddarth Srinivasan , Geoff Gordon , Byron Boots

The development of tailored materials for specific applications is an active field of research in chemistry, material science and drug discovery. The number of possible molecules that can be obtained from a set of atomic species grow…

Quantum machine learning (QML) is a discipline that seeks to transfer the advantages of quantum computing to data-driven tasks. However, many studies rely on toy datasets or heavy feature reduction, raising concerns about their scalability.…

Quantum Physics · Physics 2025-04-16 Federico Tiblias , Anna Schroeder , Yue Zhang , Mariami Gachechiladze , Iryna Gurevych

Quantum computing could impact various industries, with the automotive industry with many computational challenges, from optimizing supply chains and manufacturing to vehicle engineering, being particularly promising. This chapter…

Quantum computing leverages quantum effects to build algorithms that are faster then their classical variants. In machine learning, for a given model architecture, the speed of training the model is typically determined by the size of the…

Machine Learning · Computer Science 2022-04-25 Seyran Saeedi , Aliakbar Panahi , Tom Arodz

Machine learning advances chemistry and materials science by enabling large-scale exploration of chemical space based on quantum chemical calculations. While these models supply fast and accurate predictions of atomistic chemical…

Chemical Physics · Physics 2019-06-25 K. T. Schütt , M. Gastegger , A. Tkatchenko , K. -R. Müller , R. J. Maurer

This paper investigates the efficacy of quantum computing in two distinct machine learning tasks: feature selection for credit risk assessment and image classification for handwritten digit recognition. For the first task, we address the…

Quantum Physics · Physics 2025-11-05 JiaNing Long , Xuechen Liang

Stress can increase the possibility of cognitive impairment and decrease the quality of life in older adults. Smart healthcare can deploy quantum machine learning to enable preventive and diagnostic support. This work introduces a unique…

Quantum Physics · Physics 2025-01-10 Md Saif Hassan Onim , Travis S. Humble , Himanshu Thapliyal

This PhD thesis explores the potential of quantum computing to address computational challenges in high-energy physics (HEP). As the Standard Model (SM) leaves key questions unanswered and no signs of new physics have emerged since the…

Quantum Physics · Physics 2025-12-02 Jorge J. Martínez de Lejarza

One of the most promising areas of research to obtain practical advantage is Quantum Machine Learning which was born as a result of cross-fertilisation of ideas between Quantum Computing and Classical Machine Learning. In this paper, we…

Quantum Physics · Physics 2021-11-08 N. Schetakis , D. Aghamalyan , M. Boguslavsky , P. Griffin

Quantum computing (QC) and machine learning (ML), taken individually or combined into quantum-assisted ML (QML), are ascending computing paradigms whose calculations come with huge potential for speedup, increase in precision, and resource…

With quantum computing technologies nearing the era of commercialization and quantum supremacy, machine learning (ML) appears as one of the promising "killer" applications. Despite significant effort, there has been a disconnect between…

Quantum Physics · Physics 2018-06-27 Alejandro Perdomo-Ortiz , Marcello Benedetti , John Realpe-Gómez , Rupak Biswas

Recently, increased computational power and data availability, as well as algorithmic advances, have led machine learning techniques to impressive results in regression, classification, data-generation and reinforcement learning tasks.…

Quantum machine learning techniques have been proposed as a way to potentially enhance performance in machine learning applications. In this paper, we introduce two new quantum methods for neural networks. The first one is a quantum…

Quantum computers hold promise to improve the efficiency of quantum simulations of materials and to enable the investigation of systems and properties more complex than tractable at present on classical architectures. Here, we discuss…

Quantum Physics · Physics 2022-05-03 Christian Vorwerk , Nan Sheng , Marco Govoni , Benchen Huang , Giulia Galli

In recent years, quantum computing has drawn significant interest within the field of high-energy physics. We explore the potential of quantum algorithms to resolve the combinatorial problems in particle physics experiments. As a concrete…

High Energy Physics - Phenomenology · Physics 2024-11-12 Jacob L. Scott , Zhongtian Dong , Taejoon Kim , Kyoungchul Kong , Myeonghun Park

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

Recent advancements in quantum computing (QC) and machine learning (ML) have fueled significant research efforts aimed at integrating these two transformative technologies. Quantum machine learning (QML), an emerging interdisciplinary…

Quantum Physics · Physics 2025-04-24 Samuel Yen-Chi Chen , Zhiding Liang

In this article we demonstrate the applications of classical and quantum machine learning in quantum transport and spintronics. With the help of a two-terminal device with magnetic impurity we show how machine learning algorithms can…

Mesoscale and Nanoscale Physics · Physics 2023-03-28 Kumar Ghosh , Sumit Ghosh

Developing high-performance materials is critical for diverse energy applications to increase efficiency, improve sustainability and reduce costs. Classical computational methods have enabled important breakthroughs in energy materials…

Quantum Physics · Physics 2026-01-26 Seongmin Kim , In-Saeng Suh , Travis S. Humble , Thomas Beck , Eungkyu Lee , Tengfei Luo
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