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Quantum Computing (QC) offers outstanding potential for molecular characterization and drug discovery, particularly in solving complex properties like the Ground State Energy (GSE) of biomolecules. However, QC faces challenges due to…

Chemical Physics · Physics 2024-12-17 Laia Coronas Sala , Parfait Atchade-Adelemou

Quantum machine learning is one of the most promising applications of a full-scale quantum computer. Over the past few years, many quantum machine learning algorithms have been proposed that can potentially offer considerable speedups over…

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

Quantum machine learning has the potential to computationally outperform classical machine learning, but it is not yet clear whether it will actually be valuable for practical problems. While some artificial scenarios have shown that…

Quantum Physics · Physics 2025-08-22 Akimoto Nakayama , Kosuke Mitarai , Leonardo Placidi , Takanori Sugimoto , Keisuke Fujii

We consider the problem of distinguishing two vectors (visualized as images or barcodes) and learning if they are related to one another. For this, we develop a geometric quantum machine learning (GQML) approach with embedded symmetries…

Quantum Physics · Physics 2024-09-04 Chukwudubem Umeano , Stefano Scali , Oleksandr Kyriienko

Quantum kernel methods (QKMs) offer an appealing framework for machine learning on near-term quantum computers. However, QKMs generically suffer from exponential concentration, requiring an exponential number of measurements to resolve the…

Strongly Correlated Electrons · Physics 2025-08-15 Ayana Sarkar , Martin Schnee , Roya Radgohar , Mojde Fadaie , Victor Drouin-Touchette , Stefanos Kourtis

Mixed-quantum-classical molecular dynamics simulation implies an effective measurement on the electronic states owing to continuously tracking the atomic forces.Based on this insight, we propose a quantum trajectory mean-field approach for…

Chemical Physics · Physics 2014-08-08 Wei Feng , Luting Xu , Xin-Qi Li , Weihai Fang , YiJing Yan

The quantum Boltzmann machine (QBM) is a generative machine learning model for both classical data and quantum states. Training the QBM consists of minimizing the relative entropy from the model to the target state. This requires QBM…

Quantum Physics · Physics 2024-05-24 Onno Huijgen , Luuk Coopmans , Peyman Najafi , Marcello Benedetti , Hilbert J. Kappen

Quantum Phase Estimation is a crucial component of several front-running quantum algorithms. Improving the efficiency and accuracy of QPE is currently a very active field of research. In this work, we present a hybrid quantum-classical…

Quantum Physics · Physics 2024-09-25 S. M. Lim , C. E. Susa , R. Cohen

Quantum graphical models (QGMs) extend the classical framework for reasoning about uncertainty by incorporating the quantum mechanical view of probability. Prior work on QGMs has focused on hidden quantum Markov models (HQMMs), which can be…

Machine Learning · Computer Science 2019-03-13 Sandesh Adhikary , Siddarth Srinivasan , Byron Boots

Quantum Signal Processing (QSP) and Quantum Singular Value Transformation (QSVT) currently stand as the most efficient techniques for implementing functions of block encoded matrices, a central task that lies at the heart of most prominent…

Quantum Physics · Physics 2024-01-22 Danial Motlagh , Nathan Wiebe

The ground state search problem is central to quantum computing, with applications spanning quantum chemistry, condensed matter physics, and optimization. The Variational Quantum Eigensolver (VQE) has shown promise for small systems but…

Quantum Physics · Physics 2026-03-26 Alexander Holden , Moinul Hossain Rahat , Nii Osae Osae Dade

Generative quantum eigensolver (GQE) is a hybrid quantum-classical algorithm that iteratively trains a classical generative machine learning model such that the model can generate quantum circuits with desired properties such as…

Quantum Physics · Physics 2026-05-12 Junya Nakamura , Shinichiro Sanji

Mixed quantum-classical dynamics is a set of methods often used to understand systems too complex to treat fully quantum mechanically. Many techniques exist for full quantum mechanical evolution on quantum computers, but mixed…

Quantum Physics · Physics 2023-08-22 Daniel Bultrini , Oriol Vendrell

Machine learning is among the most widely anticipated use cases for near-term quantum computers, however there remain significant theoretical and implementation challenges impeding its scale up. In particular, there is an emerging body of…

Quantum Physics · Physics 2023-09-20 Maxwell T. West , Martin Sevior , Muhammad Usman

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

Quantum computing, with its potential to enhance various machine learning tasks, allows significant advancements in kernel calculation and model precision. Utilizing the one-class Support Vector Machine alongside a quantum kernel, known for…

Quantifying quantum entanglement is a pivotal challenge in quantum information science, particularly for high-dimensional systems, due to its computational complexity. This thesis extends the geometric measure of entanglement (GME) to…

Quantum Physics · Physics 2025-06-16 Xuanran Zhu

Neural networks are a promising tool for simulating quantum many body systems. Recently, it has been shown that neural network-based models describe quantum many body systems more accurately when they are constrained to have the correct…

Quantum Physics · Physics 2021-06-01 Christopher Roth , Allan H. MacDonald

Simulating complex spin systems, known for high frustration and entanglement, presents significant challenges due to their intricate energy landscapes. This study focuses on the $J_{1}-J_{2}$ Heisenberg model, renowned for its rich phase…

Quantum Physics · Physics 2024-07-02 Dylan Sheils , Trevor David Rhone

A new form of quasiclassical space-time dynamics for constrained systems reveals how quantum effects can be derived systematically from canonical quantization of gravitational systems. These quasiclassical methods lead to additional fields,…

General Relativity and Quantum Cosmology · Physics 2024-01-04 Kallan Berglund , Martin Bojowald , Manuel Diaz , Gianni Sims