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Accurate and efficient prediction of electronic wavefunctions is central to ab initio molecular dynamics (AIMD) and electronic structure theory. However, conventional ab initio methods require self-consistent optimization of electronic…

Chemical Physics · Physics 2025-11-12 Yanxian Tao , Lingyun Wan , Xiongzhi Zeng , Yingdi Jin , Jie Liu , Zhenyu Li , Jinlong Yang

Contemporary quantum computing platforms remain, in essence, programmable physical systems whose control is typically mediated through unitary gate abstractions. While such abstractions provide a uniform interface, they obscure important…

Many mechanical engineering applications call for multiscale computational modeling and simulation. However, solving for complex multiscale systems remains computationally onerous due to the high dimensionality of the solution space.…

Machine Learning · Computer Science 2023-03-23 Phong C. H. Nguyen , Joseph B. Choi , H. S. Udaykumar , Stephen Baek

Many Machine Learning (ML) models are referred to as black box models, providing no real insights into why a prediction is made. Feature importance and explainability are important for increasing transparency and trust in ML models,…

Machine Learning · Computer Science 2024-05-16 Luke Power , Krishnendu Guha

Quantum computers leverage the unique advantages of quantum mechanics to achieve acceleration over classical computers for certain problems. Currently, various quantum simulators provide powerful tools for researchers, but simulating…

Quantum Physics · Physics 2024-10-31 Shuangxiang Zhou , Ronghang Chen , Zheng An , Shi-Yao Hou

Quantum Machine Learning (QML) hasn't yet demonstrated extensively and clearly its advantages compared to the classical machine learning approach. So far, there are only specific cases where some quantum-inspired techniques have achieved…

Quantum Physics · Physics 2022-11-30 Javier Mancilla , Christophe Pere

Quantum Machine Learning (QML) has emerged as a promising framework for exploring how quantum dynamics may enhance data processing tasks. Here we investigate Quantum Extreme Learning Machines (QELMs), a quantum analogue of classical Extreme…

Quantum Physics · Physics 2026-04-27 A. De Lorenzis , M. P. Casado , N. Lo Gullo , T. Lux , F. Plastina , A. Riera

Distributed training across several quantum computers could significantly improve the training time and if we could share the learned model, not the data, it could potentially improve the data privacy as the training would happen where the…

Quantum Physics · Physics 2021-03-23 Samuel Yen-Chi Chen , Shinjae Yoo

Quantum Machine Learning has the potential to improve traditional machine learning methods and overcome some of the main limitations imposed by the classical computing paradigm. However, the practical advantages of using quantum resources…

Quantum Physics · Physics 2023-03-21 Antonio Macaluso , Matthias Klusch , Stefano Lodi , Claudio Sartori

The emerging paradigm of Quantum Machine Learning (QML) combines features of quantum computing and machine learning (ML). QML enables the generation and recognition of statistical data patterns that classical computers and classical ML…

Cryptography and Security · Computer Science 2025-04-30 Zihao Wang , Kar Wai Fok , Vrizlynn L. L. Thing

One of the key considerations in the development of Quantum Machine Learning (QML) protocols is the encoding of classical data onto a quantum device. In this chapter we introduce the Matrix Product State representation of quantum systems…

Quantum Physics · Physics 2026-01-15 Chris Nakhl , Maxwell West , Muhammad Usman

Quantum machine learning (QML) has emerged as a promising area of research for enhancing the performance of classical machine learning systems by leveraging quantum computational principles. However, practical deployment of QML remains…

Quantum Physics · Physics 2025-10-21 Amena Khatun , Muhammad Usman

The exotic nature of quantum mechanics makes machine learning (ML) be different in the quantum realm compared to classical applications. ML can be used for knowledge discovery using information continuously extracted from a quantum system…

Quantum Physics · Physics 2021-12-15 Yongcheng Ding , Xi Chen , Rafael Magdalena-Benedicto , José D. Martín-Guerrero

Quantum machine learning (QML) has emerged as an important area for Quantum applications, although useful QML applications would require many qubits. Therefore our paper is aimed at exploring the successful application of the Quantum…

Quantum Physics · Physics 2020-12-15 Jae-Eun Park , Brian Quanz , Steve Wood , Heather Higgins , Ray Harishankar

Security for machine learning has begun to become a serious issue for present day applications. An important question remaining is whether emerging quantum technologies will help or hinder the security of machine learning. Here we discuss a…

Quantum Physics · Physics 2017-11-20 Nathan Wiebe , Ram Shankar Siva Kumar

Quantum federated learning (QFL) is a novel framework that integrates the advantages of classical federated learning (FL) with the computational power of quantum technologies. This includes quantum computing and quantum machine learning…

Networking and Internet Architecture · Computer Science 2023-10-24 Mahdi Chehimi , Samuel Yen-Chi Chen , Walid Saad , Don Towsley , Mérouane Debbah

Accurate molecular force fields are of paramount importance for the efficient implementation of molecular dynamics techniques at large scales. In the last decade, machine learning methods have demonstrated impressive performances in…

Quantum Physics · Physics 2022-07-22 Oriel Kiss , Francesco Tacchino , Sofia Vallecorsa , Ivano Tavernelli

Quantum machine learning (QML) is a rapidly growing area of research at the intersection of classical machine learning and quantum information theory. One area of considerable interest is the use of QML to learn information contained within…

Quantum Physics · Physics 2022-10-06 Maiyuren Srikumar , Charles D. Hill , Lloyd C. L. Hollenberg

Quantum computing has been a fascinating research field in quantum physics. Recent progresses motivate us to study in depth the universal quantum computing models (UQCM), which lie at the foundation of quantum computing and have tight…

Quantum Physics · Physics 2021-12-07 D. -S. Wang

Quantum machine learning is considered one of the current research fields with immense potential. In recent years, Havl\'i\v{c}ek et al. [Nature 567, 209-212 (2019)] have proposed a quantum machine learning algorithm with quantum-enhanced…

Quantum Physics · Physics 2025-06-09 Chao Ding , Shi Wang , Yaonan Wang , Weibo Gao