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Molecular docking (MD) is a crucial task in drug design, which predicts the position, orientation, and conformation of the ligand when bound to a target protein. It can be interpreted as a combinatorial optimization problem, where quantum…

Chemical Physics · Physics 2024-04-15 Yunting Li , Xiaopeng Cui , Zhaoping Xiong , Bowen Liu , Bi-Ying Wang , Runqiu Shu , Nan Qiao , Man-Hong Yung

We propose a sequential minimal optimization method for quantum-classical hybrid algorithms, which converges faster, is robust against statistical error, and is hyperparameter-free. Specifically, the optimization problem of the…

Quantum Physics · Physics 2020-11-04 Ken M. Nakanishi , Keisuke Fujii , Synge Todo

Combinatorial optimization is of general interest for both theoretical study and real-world applications. Fast-developing quantum algorithms provide a different perspective on solving combinatorial optimization problems. In this paper, we…

Data Structures and Algorithms · Computer Science 2022-09-07 Tianyi Hao , Xuxin Huang , Chunjing Jia , Cheng Peng

We explore the applicability of quantum annealing to the approximation task of curve fitting. To this end, we consider a function that shall approximate a given set of data points and is written as a finite linear combination of…

Optimization and Control · Mathematics 2026-02-27 Philipp Isserstedt , Daniel Jaroszewski , Wolfgang Mergenthaler , Felix Paul , Bastian Harrach

Quantum machine learning has the potential to provide powerful algorithms for artificial intelligence. The pursuit of quantum advantage in quantum machine learning is an active area of research. For current noisy, intermediate-scale quantum…

Quantum Physics · Physics 2023-05-11 Rui Yang , Samuel Bosch , Bobak Kiani , Seth Lloyd , Adrian Lupascu

Steric clashes pose a challenge when exploring dense protein systems using conventional explicit-chain methods. A minimal example is a single lattice protein confined on a minimal grid, with no free sites. Finding its minimum energy is a…

Quantum Physics · Physics 2025-10-03 Anders Irbäck , Lucas Knuthson , Sandipan Mohanty

We benchmark current annealing-based optimization workflows on a greenhouse-inspired quadratic unconstrained binary optimization problem for binary heater scheduling, where the horizon H denotes the number of hourly control decisions. For…

Quantum Physics · Physics 2026-05-28 Hamzeh Alavirad , Maryam Bahrami Zanjani

The study of optimal control of quantum annealing by modulating the pace of evolution and by introducing a counterdiabatic potential has gained significant attention in recent times. In this work, we present a numerical approach based on…

Realizing quantum speedup for practically relevant, computationally hard problems is a central challenge in quantum information science. Using Rydberg atom arrays with up to 289 qubits in two spatial dimensions, we experimentally…

Local quantum annealing (LQA), an iterative algorithm, is designed to solve combinatorial optimization problems. It draws inspiration from QA, which utilizes adiabatic time evolution to determine the global minimum of a given objective…

Quantum Physics · Physics 2025-01-07 Shunta Arai , Satoshi Takabe

In the rapidly advancing domain of quantum optimization, the confluence of quantum algorithms such as Quantum Annealing (QA) and the Quantum Approximate Optimization Algorithm (QAOA) with robust optimization methodologies presents a…

Quantum Physics · Physics 2024-05-14 Pascal Halffmann , Steve Lenk , Michael Trebing

Machine learning techniques have led to broad adoption of a statistical model of computing. The statistical distributions natively available on quantum processors are a superset of those available classically. Harnessing this attribute has…

Optimization or sampling of arbitrary pairwise Ising models, in a quantum annealing protocol of constrained interaction topology, can be enabled by a minor-embedding procedure. The logical problem of interest is transformed to a physical…

Quantum Physics · Physics 2021-05-20 Jack Raymond , Ndiamé Ndiaye , Gautam Rayaprolu , Andrew King

A hybrid quantum-classical algorithm is a computational scheme in which quantum circuits are used to extract information that is then processed by a classical routine to guide subsequent quantum operations. These algorithms are especially…

Quantum Physics · Physics 2025-09-03 Alon Levi , Ziv Ossi , Eliahu Cohen , Amit Te'eni

We study the problem of critical slowing-down for gauge-fixing algorithms (Landau gauge) in $SU(2)$ lattice gauge theory on $2$ and $4$ dimensional lattices, both numerically and analytically. We consider five such algorithms, and we…

High Energy Physics - Lattice · Physics 2009-10-28 Attilio Cucchieri , Tereza Mendes

Quantum annealers have been designed to propose near-optimal solutions to NP-hard optimization problems. However, the accuracy of current annealers such as the ones of D-Wave Systems, Inc., is limited by environmental noise and hardware…

Quantum Physics · Physics 2022-10-27 Aaron Barbosa , Elijah Pelofske , Georg Hahn , Hristo N. Djidjev

In a recent study (Ref. [1]), quantum annealing was reported to exhibit a scaling advantage for approximately solving Quadratic Unconstrained Binary Optimization (QUBO). However, this claim critically depends on the choice of classical…

Quantum Physics · Physics 2025-05-29 J. Pawlowski , P. Tarasiuk , J. Tuziemski , L. Pawela , B. Gardas

The presence of a bias field, encoding some information about the target state, can enhance the performance of quantum optimization methods. Here we investigate the effect of such a bias field on the outcome of quantum annealing sampling,…

Quantum Physics · Physics 2022-10-19 Tobias Graß

Constrained binary optimization aims to find an optimal assignment to minimize or maximize the objective meanwhile satisfying the constraints, which is a representative NP problem in various domains, including transportation, scheduling,…

Quantum Physics · Physics 2025-08-18 Debin Xiang , Qifan Jiang , Liqiang Lu , Siwei Tan , Jianwei Yin

This study proposes a novel method for simplifying inequality constraints in Higher-Order Binary Optimization (HOBO) formulations. The proposed method addresses challenges associated with Quadratic Unconstrained Binary Optimization (QUBO)…

Optimization and Control · Mathematics 2025-01-22 Yuichiro Minato