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We propose an end-to-end integrated strategy to produce highly accurate quantum chemistry (QC) synthetic datasets (energies and forces) aimed at deriving Foundation Machine Learning models for molecular simulation. Starting from Density…

Quantum computers have attracted much attention in recent years. This is because the development of the actual quantum machine is accelerating. Research on how to use quantum computers is active in the fields such as quantum chemistry and…

Quantum Physics · Physics 2024-12-02 Kazumasa Ueno , Hiroaki Miura

Quantum machine learning (QML) is a promising early use case for quantum computing. There has been progress in the last five years from theoretical studies and numerical simulations to proof of concepts. Use cases demonstrated on…

Quantum Physics · Physics 2024-04-30 Daniel Goldsmith , M M Hassan Mahmud

Quantum machine learning with parametrised quantum circuits has attracted significant attention over the past years as an early application for the era of noisy quantum processors. However, the possibility of achieving concrete advantages…

One of the key obstacles in traditional deep learning is the reduction in model transparency caused by increasingly intricate model functions, which can lead to problems such as overfitting and excessive confidence in predictions. With the…

Machine Learning · Computer Science 2025-07-22 Maximilian Wendlinger , Kilian Tscharke , Pascal Debus

Machine learning (ML) is transforming all areas of science. The complex and time-consuming calculations in molecular simulations are particularly suitable for a machine learning revolution and have already been profoundly impacted by the…

Chemical Physics · Physics 2019-11-11 Frank Noé , Alexandre Tkatchenko , Klaus-Robert Müller , Cecilia Clementi

We propose quantum algorithms, purely quantum in nature, for calculating the determinant and inverse of an $(N-1)\times (N-1)$ matrix (depth is $O(N^2\log N)$) which is a simple modification of the algorithm for calculating the determinant…

Quantum Physics · Physics 2025-06-02 Alexander I. Zenchuk , Georgii A. Bochkin , Wentao Qi , Asutosh Kumar , Junde Wu

Machine learning and specifically deep-learning methods have outperformed human capabilities in many pattern recognition and data processing problems, in game playing, and now also play an increasingly important role in scientific…

This article gives an overview and a perspective of recent theoretical proposals and their experimental implementations in the field of quantum machine learning. Without an aim to being exhaustive, the article reviews specific high-impact…

Quantum Physics · Physics 2023-05-03 Lucas Lamata

A framework for simulating the real-time dynamics of composite particles in a simple model of dense matter that is amenable to quantum computers is developed. As a demonstration, we perform classical simulations of heavy-hadrons propagating…

Quantum Physics · Physics 2025-01-22 Roland C. Farrell , Marc Illa , Martin J. Savage

Nuclear physics, whose underling theory is described by quantum gauge field coupled with matter, is fundamentally important and yet is formidably challenge for simulation with classical computers. Quantum computing provides a perhaps…

Quantum Physics · Physics 2021-02-08 Dan-Bo Zhang , Hongxi Xing , Hui Yan , Enke Wang , Shi-Liang Zhu

We consider matrix quantum mechanics with multiple bosonic matrices, including those obtained from dimensional reduction of Yang-Mills theories. Using the matrix bootstrap, we study simple observables like $\langle \mathop{tr} X^2 \rangle$…

High Energy Physics - Theory · Physics 2025-09-22 Henry W. Lin , Zechuan Zheng

Quantum machine learning is an approach that aims to improve the performance of machine learning methods by leveraging the properties of quantum computers. In quantum circuit learning (QCL), a supervised learning method that can be…

We present the first empirical study of machine unlearning (MU) in hybrid quantum-classical neural networks. While MU has been extensively explored in classical deep learning, its behavior within variational quantum circuits (VQCs) and…

Machine Learning · Computer Science 2026-04-10 Carla Crivoi , Radu Tudor Ionescu

Data encoding plays a fundamental and distinctive role in Quantum Machine Learning (QML). While classical approaches process data directly as vectors, QML may require transforming classical data into quantum states through encoding…

Quantum Physics · Physics 2025-12-11 Orlane Zang , Grégoire Barrué , Tony Quertier

Efficiently characterising quantum systems, verifying operations of quantum devices and validating underpinning physical models, are central challenges for the development of quantum technologies and for our continued understanding of…

As the most central and computationally intensive component of deep neural networks, the execution efficiency of matrix multiplication directly determines the training and inference performance of models. Harnessing the parallel processing…

Quantum Physics · Physics 2026-05-25 Jiaqi Yao , Tianjian Huang , Zipeng Cai , Ding Liu

Representing signals with sparse vectors has a wide range of applications that range from image and video coding to shape representation and health monitoring. In many applications with real-time requirements, or that deal with…

Quantum Physics · Physics 2022-08-09 Armando Bellante , Stefano Zanero

Large $N$ matrix quantum mechanics is central to holographic duality but not solvable in the most interesting cases. We show that the spectrum and simple expectation values in these theories can be obtained numerically via a `bootstrap'…

High Energy Physics - Theory · Physics 2020-07-29 Xizhi Han , Sean A. Hartnoll , Jorrit Kruthoff

This chapter is devoted to the computation of equilibrium (thermodynamic) properties of quantum systems. In particular, we will be interested in the situation where the interaction between particles is so strong that it cannot be treated as…

Mesoscale and Nanoscale Physics · Physics 2016-02-03 Alexei Filinov , Jens Böning , Michael Bonitz