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Molecular docking is a critical process for drug discovery and challenging due to the complexity and size of biomolecular systems, where the optimal binding configuration of a drug to a target protein is determined. Hybrid classical-quantum…

Emerging Technologies · Computer Science 2025-03-07 Christos Papalitsas , Yanfei Guan , Shreyas Waghe , Athanasios Liakos , Ioannis Balatsos , Vassilios Pantazopoulos

This paper describes an application of the Quantum Approximate Optimisation Algorithm (QAOA) to efficiently find approximate solutions for computational problems contained in the polynomially bounded NP optimisation complexity class (NPO…

Quantum Physics · Physics 2021-07-28 Samuel Marsh , Jingbo Wang

Proton therapy is a modality in fast development. Characterized by a maximum dose deposition at the end of the proton trajectory followed by a sharp fall-off, proton beams can deliver a highly conformal dose to the tumor while sparing…

Medical Physics · Physics 2022-05-18 François Smekens , Nicolas Freud , Bruno Sixou , Guillaume Beslon , Jean M Létang

The Quadratic Unconstrained Binary Optimization (QUBO) model has gained prominence in recent years with the discovery that it unifies a rich variety of combinatorial optimization problems. By its association with the Ising problem in…

Data Structures and Algorithms · Computer Science 2019-11-06 Fred Glover , Gary Kochenberger , Yu Du

The Quantum Approximate Optimization Algorithm (QAOA) uses a quantum computer to implement a variational method with $2p$ layers of alternating unitary operators, optimized by a classical computer to minimize a cost function. While rigorous…

Quantum Physics · Physics 2024-11-19 Raimel A. Medina , Maksym Serbyn

Quantum Approximate Optimization Algorithm (QAOA) is a promising candidate for achieving quantum advantage in combinatorial optimization. However, its variational framework presents a long-standing challenge in selecting circuit parameters.…

Bayesian Optimization (BO) is a technique for sample-efficient black-box optimization that employs probabilistic models to identify promising input locations for evaluation. When dealing with composite-structured functions, such as f=g o h,…

Machine Learning · Computer Science 2024-07-11 Natalie Maus , Zhiyuan Jerry Lin , Maximilian Balandat , Eytan Bakshy

Portfolio optimization is one of the most studied optimization problems at the intersection of quantum computing and finance. In this work, we develop the first quantum formulation for a portfolio optimization problem with higher-order…

Quantum Physics · Physics 2026-01-28 Valter Uotila , Julia Ripatti , Bo Zhao

Quantum computing has demonstrated its potential to solve various optimization problems, including drone scheduling, which is important not only for drone delivery but also for logistics in general. However, one of the main obstacles is…

Quantum Physics · Physics 2026-05-15 Van-Quang-Huy Nguyen , Hoang-Quan Nguyen , Samee U. Khan , Ilya Safro , Khoa Luu

In machine learning, fewer features reduce model complexity. Carefully assessing the influence of each input feature on the model quality is therefore a crucial preprocessing step. We propose a novel feature selection algorithm based on a…

Quantum Physics · Physics 2023-02-22 Sascha Mücke , Raoul Heese , Sabine Müller , Moritz Wolter , Nico Piatkowski

Hybrid quantum-classical algorithms such as the quantum approximate optimization algorithm (QAOA) are considered one of the most promising approaches for leveraging near-term quantum computers for practical applications. Such algorithms are…

Quantum Physics · Physics 2022-06-16 Ruslan Shaydulin , Ilya Safro , Jeffrey Larson

Clinical trials are pivotal in the drug discovery process to determine the safety and efficacy of a drug candidate. The high failure rates of these trials are attributed to deficiencies in clinical model development and protocol design.…

The quantum approximate optimisation algorithm (QAOA) is at the core of many scenarios that aim to combine the power of quantum computers and classical high-performance computing appliances for combinatorial optimisation. Several obstacles…

Quantum Physics · Physics 2026-02-26 Simon Thelen , Hila Safi , Wolfgang Mauerer

The Quantum Approximate Optimization Algorithm (QAOA) has emerged as a promising variational quantum algorithm for addressing NP hard combinatorial optimization problems. However, a significant limitation lies in optimizing its classical…

Quantum Physics · Physics 2023-09-22 Peter Gleißner , Georg Kruse , Andreas Roßkopf

Satellite mission planning for Earth observation satellites is a combinatorial optimization problem that consists of selecting the optimal subset of imaging requests, subject to constraints, to be fulfilled during an orbit pass of a…

The Quantum Approximate Optimization Algorithm (QAOA) has enjoyed increasing attention in noisy intermediate-scale quantum computing due to its application to combinatorial optimization problems. Because combinatorial optimization problems…

Optimization and Control · Mathematics 2024-01-18 Yunsoo Ha , Sara Shashaani , Matt Menickelly

The quantum approximate optimization algorithm (QAOA) is known for its capability and universality in solving combinatorial optimization problems on near-term quantum devices. The results yielded by QAOA depend strongly on its initial…

Quantum Physics · Physics 2022-09-29 Xinwei Lee , Ningyi Xie , Yoshiyuki Saito , Dongsheng Cai , Nobuyoshi Asai

Quantum simulation of materials is a promising application area of quantum computers. To practically realize this promise, we must reduce quantum resources while maintaining accuracy. In electronic structure calculations on classical…

Quantum computing provides powerful algorithmic tools that have been shown to outperform established classical solvers in specific optimization tasks. A core step in solving optimization problems with known quantum algorithms such as the…

The Quantum Approximate Optimization Algorithm (QAOA) constitutes one of the often mentioned candidates expected to yield a quantum boost in the era of near-term quantum computing. In practice, quantum optimization will have to compete with…

Quantum Physics · Physics 2020-10-15 Charles Moussa , Henri Calandra , Vedran Dunjko
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