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Quantum machine learning (QML) has great potential for the analysis of chemical datasets. However, conventional quantum data-encoding schemes, such as fingerprint encoding, are generally unfeasible for the accurate representation of…

Quantum Physics · Physics 2025-11-18 Choy Boy , Edoardo Altamura , Dilhan Manawadu , Ivano Tavernelli , Stefano Mensa , David J. Wales

Quantum processors may enhance machine learning by mapping high-dimensional data onto quantum systems for processing. Conventional feature maps, for encoding data onto a quantum circuit are currently impractical, as the number of entangling…

Quantum Physics · Physics 2026-03-27 Utkarsh Singh , Jean-Frédéric Laprade , Aaron Z. Goldberg , Khabat Heshami

Understanding the capacity of quantum circuits through the lens of approximation theory is essential for evaluating the complexity of quantum circuits required to solve various problems in scientific computation. We design quantum circuits…

Quantum Physics · Physics 2025-09-03 Junaid Aftab , Haizhao Yang

A central aspect for operating future quantum computers is quantum circuit optimization, i.e., the search for efficient realizations of quantum algorithms given the device capabilities. In recent years, powerful approaches have been…

Quantum Physics · Physics 2021-03-16 Thomas Fösel , Murphy Yuezhen Niu , Florian Marquardt , Li Li

Owing to the computational complexity of electronic structure algorithms running on classical digital computers, the range of molecular systems amenable to simulation remains tightly circumscribed even after many decades of work. Quantum…

Quantum Physics · Physics 2022-05-18 Alexis Ralli , Michael I. Williams , Peter V. Coveney

Driven by potential exponential speedups in business, security, and scientific scenarios, interest in quantum computing is surging. This interest feeds the development of quantum computing hardware, but several challenges arise in…

Quantum Physics · Physics 2024-09-11 Junghoon Chae , Chad A. Steed , Travis S. Humble

In the current noisy intermediate-scale quantum (NISQ) era, quantum machine learning is emerging as a dominant paradigm to program gate-based quantum computers. In quantum machine learning, the gates of a quantum circuit are parametrized,…

Quantum Physics · Physics 2022-06-15 Osvaldo Simeone

The quantum circuit model is the most widely used model of quantum computation. It provides both a framework for formulating quantum algorithms and an architecture for the physical construction of quantum computers. However, several other…

Quantum Physics · Physics 2008-09-16 Stephen P. Jordan

Quantum computations are typically compiled into a circuit of basic quantum gates. Just like for classical circuits, a quantum compiler should optimize the quantum circuit, e.g. by minimizing the number of required gates. Optimizing quantum…

Quantum Physics · Physics 2023-03-31 Raban Iten , Romain Moyard , Tony Metger , David Sutter , Stefan Woerner

Representations of quantum computations are almost always based on a tensor product $\otimes$-structure. This coincides with what we are able to execute in our experiments, as well as what we observe in Nature, but it makes certain familiar…

Quantum Physics · Physics 2021-11-05 Luca Mondada

Hybrid quantum-classical systems make it possible to utilize existing quantum computers to their fullest extent. Within this framework, parameterized quantum circuits can be regarded as machine learning models with remarkable expressive…

Quantum Physics · Physics 2019-11-15 Marcello Benedetti , Erika Lloyd , Stefan Sack , Mattia Fiorentini

Quantum algorithms, represented as quantum circuits, can be used as benchmarks for assessing the performance of quantum systems. Existing datasets, widely utilized in the field, suffer from limitations in size and versatility, leading…

Quantum Physics · Physics 2024-02-26 Boran Apak , Medina Bandic , Aritra Sarkar , Sebastian Feld

Biomarkers play a central role in medicine's gradual progress towards proactive, personalized precision diagnostics and interventions. However, finding biomarkers that provide very early indicators of a change in health status, for example…

Quantum computers are designed to outperform standard computers by running quantum algorithms. Areas in which quantum algorithms can be applied include cryptography, search and optimisation, simulation of quantum systems, and solving large…

Quantum Physics · Physics 2016-02-24 Ashley Montanaro

In recent decades, the field of quantum computing has experienced remarkable progress. This progress is marked by the superior performance of many quantum algorithms compared to their classical counterparts, with Shor's algorithm serving as…

Quantum Physics · Physics 2024-06-07 Siyi Wang , Xiufan Li , Wei Jie Bryan Lee , Suman Deb , Eugene Lim , Anupam Chattopadhyay

Molecular science is governed by the dynamics of electrons, atomic nuclei, and their interaction with electromagnetic fields. A reliable physicochemical understanding of these processes is crucial for the design and synthesis of chemicals…

Quantum Physics · Physics 2022-03-21 Hongbin Liu , Guang Hao Low , Damian S. Steiger , Thomas Häner , Markus Reiher , Matthias Troyer

Geometric quantum machine learning uses the symmetries inherent in data to design tailored machine learning tasks with reduced search space dimension. The field has been well-studied recently in an effort to avoid barren plateau issues…

Quantum Physics · Physics 2025-07-14 Zachary P. Bradshaw , Ethan N. Evans , Matthew Cook , Margarite L. LaBorde

Quantum mechanics fundamentally forbids deterministic discrimination of quantum states and processes. However, the ability to optimally distinguish various classes of quantum data is an important primitive in quantum information science. In…

Quantum Physics · Physics 2021-03-10 Hongxiang Chen , Leonard Wossnig , Simone Severini , Hartmut Neven , Masoud Mohseni

The exact evaluation of the molecular ground state in quantum chemistry requires an exponentially increasing computational cost. Quantum computation is a promising way to overcome the exponential problem using polynomial-time quantum…

Quantum Physics · Physics 2023-05-30 Changsu Cao , Jiaqi Hu , Wengang Zhang , Xusheng Xu , Dechin Chen , Fan Yu , Jun Li , Hanshi Hu , Dingshun Lv , Man-Hong Yung

Quantum computing promises to revolutionize various fields, yet the execution of quantum programs necessitates an effective compilation process. This involves strategically mapping quantum circuits onto the physical qubits of a quantum…

Quantum Physics · Physics 2024-12-19 Tian Li , Xiao-Yue Xu , Chen Ding , Tian-Ci Tian , Wei-You Liao , Shuo Zhang , He-Liang Huang