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Generative quantum eigensolver (GQE) is a hybrid quantum-classical algorithm that iteratively trains a classical generative machine learning model such that the model can generate quantum circuits with desired properties such as…

Quantum Physics · Physics 2026-05-12 Junya Nakamura , Shinichiro Sanji

Accurate numerical solutions for the Schr\"odinger equation are of utmost importance in quantum chemistry. However, the computational cost of current high-accuracy methods scales poorly with the number of interacting particles. Combining…

Computational Physics · Physics 2021-12-21 Michael Scherbela , Rafael Reisenhofer , Leon Gerard , Philipp Marquetand , Philipp Grohs

The adaptive derivative-assembled problem-tailored variational quantum eigensolver (ADAPT-VQE) is one of the most widely used algorithms for electronic structure calculations in quantum computers. It adaptively selects operators based on…

Chemical Physics · Physics 2025-08-29 Nonia Vaquero-Sabater , Abel Carreras , David Casanova

As a signal recovery algorithm, compressed sensing is particularly useful when the data has low-complexity and samples are rare, which matches perfectly with the task of quantum phase estimation (QPE). In this work we present a new…

Quantum Physics · Physics 2025-01-01 Changhao Yi , Cunlu Zhou , Jun Takahashi

Finding accurate ground state energy of a many-body system has been a major challenge in quantum chemistry. The integration of classic and quantum computers has shed new light on resolving this outstanding problem. Here we propose…

Variational quantum eigensolvers (VQEs) are one of the most important and effective applications of quantum computing, especially in the current noisy intermediate-scale quantum (NISQ) era. There are mainly two ways for VQEs:…

Quantum Physics · Physics 2024-11-19 Xin Wang , Bo Qi , Yabo Wang , Daoyi Dong

The VQE algorithm has turned out to be quite expensive to run given the way we currently access quantum processors (i.e. over the cloud). In order to alleviate this issue, we introduce Quantum Sampling Regression (QSR), an alternative…

Quantum Physics · Physics 2020-12-07 Pedro Rivero , Ian C. Cloët , Zack Sullivan

Quantum annealing is getting increasing attention in combinatorial optimization. The quantum processing unit by D-Wave is constructed to approximately solve Ising models on so-called Chimera graphs. Ising models are equivalent to quadratic…

Data Structures and Algorithms · Computer Science 2019-04-30 Michael Juenger , Elisabeth Lobe , Petra Mutzel , Gerhard Reinelt , Franz Rendl , Giovanni Rinaldi , Tobias Stollenwerk

The study and prediction of chemical reactivity is one of the most important application areas of molecular quantum chemistry. Large-scale, fully error-tolerant quantum computers could provide exact or near-exact solutions to the underlying…

Quantum Physics · Physics 2019-09-12 Michael Kühn , Sebastian Zanker , Peter Deglmann , Michael Marthaler , Horst Weiß

Adaptive variational quantum eigensolvers (ADAPT-VQEs) are promising candidates for simulations of strongly correlated systems on near-term quantum hardware. To further improve the noise resilience of these algorithms, recent efforts have…

In this study, we propose a new method for constrained combinatorial optimization using variational quantum circuits. Quantum computers are considered to have the potential to solve large combinatorial optimization problems faster than…

Quantum Physics · Physics 2025-07-15 Hyakka Nakada , Kotaro Tanahashi , Shu Tanaka

Quantum simulation of quantum chemistry is one of the most compelling applications of quantum computing. It is of particular importance in areas ranging from materials science, biochemistry and condensed matter physics. Here, we propose a…

Quantum Physics · Physics 2020-02-25 Shijie Wei , Hang Li , GuiLu Long

This paper introduces a non-variational quantum algorithm designed to solve a wide range of combinatorial optimisation problems, including constrained and non-binary problems. The algorithm leverages an engineered interference process…

Quantum Physics · Physics 2024-08-02 Tavis Bennett , Lyle Noakes , Jingbo Wang

Quantum approximate optimization algorithm (QAOA) is one of the popular quantum algorithms that are used to solve combinatorial optimization problems via approximations. QAOA is able to be evaluated on both physical and virtual quantum…

Quantum Physics · Physics 2023-12-07 Yu-Cheng Lin , Chuan-Chi Wang , Chia-Heng Tu , Shih-Hao Hung

Quantum annealing is a heuristic algorithm that solves combinatorial optimization problems, and D-Wave Systems Inc. has developed hardware implementation of this algorithm. However, in general, we cannot embed all the logical variables of a…

Quantum Physics · Physics 2019-04-01 Shuntaro Okada , Masayuki Ohzeki , Masayoshi Terabe , Shinichiro Taguchi

The optimization of Variational Quantum Eigensolver is severely challenged by finite-shot sampling noise, which distorts the cost landscape, creates false variational minima, and induces statistical bias called winner's curse. We…

Quantum Physics · Physics 2025-11-12 Vojtěch Novák , Silvie Illésová , Tomáš Bezděk , Ivan Zelinka , Martin Beseda

The electron pair approximation offers a resource efficient variational quantum eigensolver (VQE) approach for quantum chemistry simulations on quantum computers. With the number of entangling gates scaling quadratically with system size…

This thesis investigates sampling-based quantum algorithms for electronic ground state energy estimation, focusing on Quantum-Selected Configuration Interaction (QSCI) and Sample-Based Quantum Diagonalization (SQD) as near-term alternatives…

Quantum Physics · Physics 2025-09-29 Abdelmouheymen Rabah Khamadja , Mohamed Taha Rouabah

We propose a quantum error mitigation strategy for the variational quantum eigensolver (VQE) algorithm. We find, via numerical simulation, that very small amounts of coherent noise in VQE can cause substantially large errors that are…

Determining the ground state of a many-body Hamiltonian is a central problem across physics, chemistry, and combinatorial optimization, yet it is often classically intractable due to the exponential growth of Hilbert space with system size.…

Quantum Physics · Physics 2026-02-24 Jungyun Lee , Daniel K. Park