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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

In this paper, we present a reproducible benchmarking framework that systematically compares QML models with architecture-matched classical counterparts across three financial tasks: (i) directional return prediction on U.S. and Turkish…

Machine Learning · Computer Science 2026-01-08 Rehan Ahmad , Muhammad Kashif , Nouhaila Innan , Muhammad Shafique

The quantum convolutional neural network (QCNN) is a promising quantum machine learning (QML) model that is expected to achieve quantum advantages in classically intractable problems. However, the QCNN requires a large number of…

Quantum Physics · Physics 2024-05-07 Koki Chinzei , Quoc Hoan Tran , Kazunori Maruyama , Hirotaka Oshima , Shintaro Sato

Quantum computing is a new computational paradigm that promises applications in several fields, including machine learning. In the last decade, deep learning, and in particular Convolutional neural networks (CNN), have become essential for…

Quantum Physics · Physics 2021-06-14 Iordanis Kerenidis , Jonas Landman , Anupam Prakash

As with classical neural networks, quantum machine learning (QML) models are vulnerable to small input perturbations that can significantly alter output predictions. Certifying the robustness of QML models, particularly on NISQ hardware, is…

Quantum Physics · Physics 2026-05-29 Ji Guan , Mingsheng Ying

We introduce an information theoretic criterion for Bayesian network structure learning which we call quotient normalized maximum likelihood (qNML). In contrast to the closely related factorized normalized maximum likelihood criterion, qNML…

Machine Learning · Computer Science 2024-08-28 Tomi Silander , Janne Leppä-aho , Elias Jääsaari , Teemu Roos

Classical machine learning (CML) has been extensively studied for malware classification. With the emergence of quantum computing, quantum machine learning (QML) presents a paradigm-shifting opportunity to improve malware detection, though…

Machine Learning · Computer Science 2025-08-28 Jesus Lopez , Saeefa Rubaiyet Nowmi , Viviana Cadena , Mohammad Saidur Rahman

A long-standing goal of science is to accurately solve the Schr\"odinger equation for large molecular systems. The poor scaling of current quantum chemistry algorithms on classical computers imposes an effective limit of about a few dozen…

Chemical Physics · Physics 2022-02-11 Joshua A. Rackers , Lucas Tecot , Mario Geiger , Tess E. Smidt

The field of Quantum Machine Learning (QML) has emerged recently in the hopes of finding new machine learning protocols or exponential speedups for classical ones. Apart from problems with vanishing gradients and efficient encoding methods,…

Machine Learning · Computer Science 2023-10-17 Hannah Helgesen , Michael Felsberg , Jan-Åke Larsson

The use of credit cards has recently increased, creating an essential need for credit card assessment methods to minimize potential risks. This study investigates the utilization of machine learning (ML) models for credit card default…

Machine Learning · Computer Science 2023-10-17 Anas Arram , Masri Ayob , Musatafa Abbas Abbood Albadr , Alaa Sulaiman , Dheeb Albashish

Quantum computers have the potential to revolutionize diverse fields, including quantum chemistry, materials science, and machine learning. However, contemporary quantum computers experience errors that often cause quantum programs run on…

Quantum Physics · Physics 2025-02-27 Daniel Hothem , Ashe Miller , Timothy Proctor

The development of quantum neural networks (QNNs) has attracted considerable attention due to their potential to surpass classical models in certain machine learning tasks. Nonetheless, it remains unclear under which conditions QNNs provide…

Quantum optimal control is a promising approach to improve the accuracy of quantum gates, but it relies on complex algorithms to determine the best control settings. CPU or GPU-based approaches often have delays that are too long to be…

The emerging field of Quantum Machine Learning (QML) has shown promising advantages in accelerating processing speed and effectively handling the high dimensionality associated with complex datasets. Quantum Computing (QC) enables more…

Quantum neural networks (QNNs) and quantum kernels stand as prominent figures in the realm of quantum machine learning, poised to leverage the nascent capabilities of near-term quantum computers to surmount classical machine learning…

Quantum Physics · Physics 2023-12-14 Yiming Huang , Huiyuan Wang , Yuxuan Du , Xiao Yuan

Computational chemistry has come a long way over the course of several decades, enabling subatomic level calculations particularly with the development of Density Functional Theory (DFT). Recently, machine-learned potentials (MLP) have…

Reinforcement learning with neural networks (RLNN) has recently demonstrated great promise for many problems, including some problems in quantum information theory. In this work, we apply RLNN to quantum hypothesis testing and determine the…

Quantum Physics · Physics 2022-01-26 Sarah Brandsen , Kevin D. Stubbs , Henry D. Pfister

Q-learning is a widely used reinforcement learning technique for solving path planning problems. It primarily involves the interaction between an agent and its environment, enabling the agent to learn an optimal strategy that maximizes…

Robotics · Computer Science 2024-12-18 Yiming Ji , Kaijie Yun , Yang Liu , Zongwu Xie , Hong Liu

The ongoing progress in quantum technologies has fueled a sustained exploration of their potential applications across various domains. One particularly promising field is quantitative finance, where a central challenge is the pricing of…

Quantum Physics · Physics 2025-10-23 Fernando Alonso , Álvaro Leitao , Carlos Vázquez

Quantum neural networks have emerged as promising quantum machine learning models, leveraging the properties of quantum systems and classical optimization to solve complex problems in physics and beyond. However, previous studies have…

Quantum Physics · Physics 2025-06-17 Mingrui Jing , Erdong Huang , Xiao Shi , Shengyu Zhang , Xin Wang