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Critical decision-making issues in science, engineering, and industry are based on combinatorial optimization; however, its application is inherently limited by the NP-hard nature of the problem. A specialized paradigm of analogue quantum…

Quantum Physics · Physics 2026-02-04 Rudraksh Sharma , Ravi Katukam , Arjun Nagulapally

Classification is at the core of data-driven prediction and decision-making, representing a fundamental task in supervised machine learning. Recently, several quantum machine learning algorithms that use quantum kernels as a measure of…

Quantum Physics · Physics 2024-08-12 Jungyun Lee , Daniel K. Park

We determine the resource scaling of machine learning-based quantum state reconstruction methods, in terms of inference and training, for systems of up to four qubits when constrained to pure states. Further, we examine system performance…

Quantum Physics · Physics 2022-01-25 Sanjaya Lohani , Thomas A. Searles , Brian T. Kirby , Ryan T. Glasser

Simulating electronic structure on a quantum computer requires encoding of fermionic systems onto qubits. Common encoding methods transform a fermionic system of $N$ spin-orbitals into an $N$-qubit system, but many of the fermionic…

Quantum Physics · Physics 2022-06-07 Yu Shee , Pei-Kai Tsai , Cheng-Lin Hong , Hao-Chung Cheng , Hsi-Sheng Goan

In structure-based virtual screening, it is often necessary to evaluate the binding free energy of protein-ligand complexes by considering not only molecular conformations but also how these structures shift and rotate in space. The number…

Quantum Physics · Physics 2025-07-25 Pei-Kun Yang

Quantum technology has the potential to revolutionize how we acquire and process experimental data to learn about the physical world. An experimental setup that transduces data from a physical system to a stable quantum memory, and…

Quantum circuits that generate coherent superpositions of stochastic processes are key to many downstream quantum-accelerated tasks, such as risk analysis, importance sampling, and DNA sequencing. However, traditional methods for designing…

Quantum Physics · Physics 2026-03-26 Ximing Wang , Chengran Yang , Chidambaram Aditya Somasundaram , Jayne Thompson , Mile Gu

Quantum machine learning models generally lack principled design guidelines, often requiring full resource-intensive training across numerous choices of encodings, quantum circuit designs and initialization strategies to find effective…

In this thesis, we investigate whether quantum algorithms can be used in the field of machine learning for both long and near term quantum computers. We will first recall the fundamentals of machine learning and quantum computing and then…

Quantum Physics · Physics 2021-11-08 Jonas Landman

Quantum machine learning algorithms, the extensions of machine learning to quantum regimes, are believed to be more powerful as they leverage the power of quantum properties. Quantum machine learning methods have been employed to solve…

Computational Physics · Physics 2021-06-01 Shree Hari Sureshbabu , Manas Sajjan , Sangchul Oh , Sabre Kais

Quantum computers have the potential to advance material design and drug discovery by performing costly electronic structure calculations. A critical aspect of this application requires optimizing the limited resources of the quantum…

Artificial intelligence and machine learning paves the way to achieve greater technical feats. In this endeavor to hone these techniques, quantum machine learning is budding to serve as an important tool. Using the techniques of deep…

Data compression is a ubiquitous aspect of modern information technology, and the advent of quantum information raises the question of what types of compression are feasible for quantum data, where it is especially relevant given the…

Quantum Physics · Physics 2014-12-17 Lee A. Rozema , Dylan H. Mahler , Alex Hayat , Peter S. Turner , Aephraim M. Steinberg

With the digitization of health data, the growth of electronic health and medical records lowers barriers for using algorithmic techniques for data analysis. While classical machine learning techniques for health data approach…

Quantum Physics · Physics 2025-05-09 Riddhi S. Gupta , Carolyn E. Wood , Teyl Engstrom , Jason D. Pole , Sally Shrapnel

Characterizing quantum processes is essential for unlocking the potential of quantum devices. However, standard quantum process tomography is resource-intensive and becomes infeasible on large-scale systems. Despite alternative approaches…

Quantum Physics · Physics 2026-02-24 Hao Zhan , Zongbo Bao , Zekun Ye , Qianyi Wang , Minghao Mi , Penghui Yao , Lijian Zhang

We propose an effective approach to rapid estimation of the energy spectrum of quantum systems with the use of machine learning (ML) algorithm. In the ML approach (back propagation), the wavefunction data known from experiments is…

Computational Physics · Physics 2020-01-29 Gennadiy Burlak

Quantum computers promise to enhance machine learning for practical applications. Quantum machine learning for real-world data has to handle extensive amounts of high-dimensional data. However, conventional methods for measuring quantum…

Quantum Physics · Physics 2023-02-10 Tobias Haug , Chris N. Self , M. S. Kim

Hybrid quantum-classical algorithms have begun to leverage quantum devices to efficiently represent many-electron wavefunctions, enabling early demonstrations of molecular simulations on real hardware. A key prerequisite for scalable…

Quantum Physics · Physics 2026-04-28 Noah Garrett , Michael Rose , David A. Mazziotti

Binding energy is a fundamental thermodynamic property that governs molecular interactions, playing a crucial role in fields such as healthcare and the natural sciences. It is particularly relevant in drug development, vaccine design, and…

Quantum Physics · Physics 2025-08-06 Erico Souza Teixeira , Lucas Barros Fernandes , Yara Rodrigues Inácio

Quantum machine learning (QML) has emerged as a promising domain to leverage the computational capabilities of quantum systems to solve complex classification tasks. In this work, we present the first comprehensive QML study by benchmarking…

Quantum Physics · Physics 2025-03-21 Gurinder Singh , Hongni Jin , Kenneth M. Merz