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Variational quantum algorithms (VQAs) represent a promising approach to utilizing current quantum computing infrastructures. VQAs are based on a parameterized quantum circuit optimized in a closed loop via a classical algorithm. This hybrid…

Quantum Physics · Physics 2024-04-10 David Fitzek , Robert S. Jonsson , Werner Dobrautz , Christian Schäfer

Leveraging quantum computers for optimization problems holds promise across various application domains. Nevertheless, utilizing respective quantum computing solvers requires describing the optimization problem according to the Quadratic…

Quantum Physics · Physics 2025-10-15 Deborah Volpe , Nils Quetschlich , Mariagrazia Graziano , Giovanna Turvani , Robert Wille

Molecular representation learning aims to learn vector embeddings that capture molecular structure and geometry, thereby enabling property prediction and downstream scientific applications. In many AI for science tasks, labeled data are…

Biomolecules · Quantitative Biology 2026-01-28 Kun Li , Longtao Hu , Yida Xiong , Jiajun Yu , Hongzhi Zhang , Jiameng Chen , Xiantao Cai , Jia Wu , Wenbin Hu

Variational quantum eigensolver~(VQE) typically optimizes variational parameters in a quantum circuit to prepare eigenstates for a quantum system. Its applications to many problems may involve a group of Hamiltonians, e.g., Hamiltonian of a…

Quantum Physics · Physics 2021-01-19 Zhan-Hao Yuan , Tao Yin , Dan-Bo Zhang

The variational quantum eigensolver (VQE) is an algorithm for finding the ground states of a given Hamiltonian. Its application to binary-formulated combinatorial optimization (CO) has been widely studied in recent years. However, typical…

Quantum Physics · Physics 2025-08-08 Ningyi Xie , Xinwei Lee , Tiejin Chen , Yoshiyuki Saito , Nobuyoshi Asai , Dongsheng Cai

The Quantum Approximate Optimization Algorithm (QAOA) is a highly promising variational quantum algorithm that aims to solve combinatorial optimization problems that are classically intractable. This comprehensive review offers an overview…

Quantum computing offers significant potential for solving NP-hard combinatorial (optimization) problems that are beyond the reach of classical computers. One way to tap into this potential is by reformulating combinatorial problems as a…

Combinatorial optimization is considered a promising class of problems in which quantum computers can show significant advantages. However, problems of practical relevance typically have more variables than current or foreseeable quantum…

Quantum Physics · Physics 2025-12-23 Mathias Schmid , Naeimeh Mohseni , Michael J. Hartmann

Quantum computing is developing fast. Real world applications are within reach in the coming years. One of the most promising areas is combinatorial optimisation, where the Quadratic Unconstrained Binary Optimisation (QUBO) problem…

Quantum Physics · Physics 2020-07-06 Frank Phillipson , Irina Chiscop

Machine learning has been increasingly utilized in the field of biomedical research to accelerate the drug discovery process. In recent years, the emergence of quantum computing has been followed by extensive exploration of quantum machine…

We study the costs and benefits of different quantum approaches to finding approximate solutions of constrained combinatorial optimization problems with a focus on Maximum Independent Set. In the Lagrange multiplier approach we analyze the…

Quantum Physics · Physics 2024-08-13 Zain H. Saleem , Teague Tomesh , Bilal Tariq , Martin Suchara

Variational quantum algorithms (VQAs) have the potential of utilizing near-term quantum machines to gain certain computational advantages over classical methods. Nevertheless, modern VQAs suffer from cumbersome computational overhead,…

Quantum Physics · Physics 2021-06-25 Yuxuan Du , Yang Qian , Dacheng Tao

This paper introduces the use of tailored variational forms for variational quantum eigensolver that have properties of representing certain constraints on the search domain of a linear constrained quadratic binary optimization problem…

Quantum Physics · Physics 2020-11-30 Miguel Paredes Quinones , Catarina Junqueira

Quantum harmonic oscillators, or qumodes, provide a promising and versatile framework for quantum computing. Unlike qubits, which are limited to two discrete levels, qumodes have an infinite-dimensional Hilbert space, making them…

Quantum chemistry is among the most promising applications of quantum computing, offering the potential to solve complex electronic structure problems more efficiently than classical approaches. A critical component of any quantum algorithm…

Quantum Physics · Physics 2025-06-02 Smik Patel , Praveen Jayakumar , Tzu-Ching Yen , Artur F. Izmaylov

Parameterized quantum circuits are attractive candidates for potential quantum advantage in the near term and beyond. At the same time, as quantum computing hardware not only continues to improve but also begins to incorporate new features…

Quantum Physics · Physics 2024-03-19 Tobias Stollenwerk , Stuart Hadfield

The quantum Drude oscillator (QDO) is an efficient yet accurate coarse-grained approach that has been widely used to model electronic and optical response properties of atoms and molecules, as well as polarization and dispersion…

A powerful way to improve performance in machine learning is to construct an ensemble that combines the predictions of multiple models. Ensemble methods are often much more accurate and lower variance than the individual classifiers that…

Machine Learning · Computer Science 2024-12-03 Antonio Macaluso , Luca Clissa , Stefano Lodi , Claudio Sartori

To solve nonlinear partial differential equations (PDEs) is one of the most common but important tasks in not only basic sciences but also many practical industries. We here propose a quantum variational (QuVa) PDE solver with the aid of…

Quantum Physics · Physics 2021-09-21 Jaewoo Joo , Hyungil Moon

Many problems in linear algebra -- such as those arising from non-Hermitian physics and differential equations -- can be solved on a quantum computer by processing eigenvalues of the non-normal input matrices. However, the existing Quantum…

Quantum Physics · Physics 2026-03-27 Guang Hao Low , Yuan Su