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This paper presents a method of reconstruction a primary structure of a protein that folds into a given geometrical shape. This method predicts the primary structure of a protein and restores its linear sequence of amino acids in the…

Quantitative Methods · Quantitative Biology 2017-01-04 Andrii Riazanov , Mikhail Karasikov , Sergei Grudinin

In the field of quantum information, classical optimizers play an important role. From experimentalists optimizing their physical devices to theorists exploring variational quantum algorithms, many aspects of quantum information require the…

Quantum Physics · Physics 2023-10-17 Lucas Tecot , Cho-Jui Hsieh

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

Background: Understanding electronic interactions in protein active sites is fundamental to drug discovery and enzyme engineering, but remains computationally challenging due to exponential scaling of quantum mechanical calculations.…

Quantitative Methods · Quantitative Biology 2026-01-05 Biraja Ghoshal

During recent years, quantum computers have received increasing attention, primarily due to their ability to significantly increase computational performance for specific problems. Computational performance could be improved for…

Quantum Physics · Physics 2024-11-12 Ludger Leenders , Martin Sollich , Christiane Reinert , André Bardow

Quantum machine learning has the potential for broad industrial applications, and the development of quantum algorithms for improving the performance of neural networks is of particular interest given the central role they play in machine…

Quantum Physics · Physics 2019-09-09 Jonathan Allcock , Chang-Yu Hsieh , Iordanis Kerenidis , Shengyu Zhang

Optimization problems associated with the interaction of linked particles are at the heart of polymer science, protein folding and other important problems in the physical sciences. In this review we explain how to recast these problems as…

Quantum annealing is a promising approach for obtaining good approximate solutions to difficult optimization problems. Folding a protein sequence into its minimum-energy structure represents such a problem. For testing new algorithms and…

Quantum Physics · Physics 2022-10-13 Anders Irbäck , Lucas Knuthson , Sandipan Mohanty , Carsten Peterson

Comparative analyses of protein-protein interaction networks play important roles in the understanding of biological processes. However, the growing enormity of available data on the networks becomes a computational challenge for the…

Computational Engineering, Finance, and Science · Computer Science 2016-04-15 Anmer Daskin

Efficient quantum circuit optimization schemes are central to quantum simulation of strongly interacting quantum many body systems. Here, we present an optimization algorithm which combines machine learning techniques and tensor network…

Quantum Physics · Physics 2024-08-23 David Rogerson , Ananda Roy

The emergence of huge-scale, data-intensive linear optimization (LO) problems in applications such as machine learning has driven the need for more computationally efficient interior point methods (IPMs). While conventional IPMs are…

Recent advances in quantum architectures and computing have motivated the development of new optimizing compilers for quantum programs or circuits. Even though steady progress has been made, existing quantum optimization techniques remain…

Programming Languages · Computer Science 2025-02-28 Jatin Arora , Mingkuan Xu , Sam Westrick , Pengyu Liu , Dantong Li , Yongshan Ding , Umut A. Acar

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

We propose a hybrid quantum-classical approximate optimization algorithm for photonic quantum computing, specifically tailored for addressing continuous-variable optimization problems. Inspired by counterdiabatic protocols, our algorithm…

Quantum Physics · Physics 2024-10-03 Pranav Chandarana , Koushik Paul , Mikel Garcia-de-Andoin , Yue Ban , Mikel Sanz , Xi Chen

Quantum optimization has emerged as a promising frontier of quantum computing, providing novel numerical approaches to mathematical optimization problems. The main goal of this paper is to facilitate interdisciplinary research between the…

Optimization and Control · Mathematics 2025-09-05 Alexey Bochkarev , Raoul Heese , Sven Jäger , Philine Schiewe , Anita Schöbel

Among the genetic algorithms generally used for optimization problems in the recent decades, quantum-inspired variants are known for fast and high-fitness convergence and small resource requirement. Here the application to the patient…

Neural and Evolutionary Computing · Computer Science 2025-06-06 Akira SaiToh , Arezoo Modiri , Amit Sawant , Robabeh Rahimi

Combining quantum computers with classical compute power has become a standard means for developing algorithms that are eventually supposed to beat any purely classical alternatives. While in-principle advantages for solution quality or…

Quantum Physics · Physics 2026-01-23 Simon Thelen , Wolfgang Mauerer

Recently, several researchers proposed portfolio optimization as a potential use case for quantum optimization. However, the literature is lacking an extensive benchmark quantifying the potential of quantum computers for portfolio…

Quantum Physics · Physics 2025-09-23 Eric Stopfer , Friedrich Wagner

Quantum computers leverage the principles of quantum mechanics to do computation with a potential advantage over classical computers. While a single classical computer transforms one particular binary input into an output after applying one…

Emerging Technologies · Computer Science 2025-03-17 Francisco Chicano , Gabiel Luque , Zakaria Abdelmoiz Dahi , Rodrigo Gil-Merino

The Quantum Approximate Optimisation Algorithm is a $p$ layer, time-variable split operator method executed on a quantum processor and driven to convergence by classical outer loop optimisation. The classical co-processor varies individual…

Quantum Physics · Physics 2022-07-28 D. Rabinovich , R. Sengupta , E. Campos , V. Akshay , J. Biamonte