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Quantum variational algorithms are one of the most promising applications of near-term quantum computers; however, recent studies have demonstrated that unless the variational quantum circuits are configured in a problem-specific manner,…

This work introduces a formulation of quantum state engineering termed expectation-value targeting: the task of preparing a pure state whose expectation values with respect to a prescribed set of observables attain specified targets. This…

Quantum Physics · Physics 2026-05-05 Anjali Mahapatra , Gururaj Kadiri

We present the variational separability verifier (VSV), which is a novel variational quantum algorithm (VQA) that determines the closest separable state (CSS) of an arbitrary quantum state with respect to the Hilbert-Schmidt distance (HSD).…

Quantum Physics · Physics 2022-12-20 Mirko Consiglio , Tony John George Apollaro , Marcin Wieśniak

Calculations of highly excited and delocalized molecular vibrational states are computationally challenging tasks, which strongly depends on the choice of coordinates for describing vibrational motions. We introduce a new method that…

The computation of excited states in strongly interacting quantum many-body systems is of fundamental importance. Yet, it is notoriously challenging due to the exponential scaling of the Hilbert space dimension with the system size. Here,…

Quantum Physics · Physics 2025-06-11 Yixuan Ma , Chang Liu , Weikang Li , Shun-Yao Zhang , L. -M. Duan , Yukai Wu , Dong-Ling Deng

Reliable preparation of many-body ground states is an essential task in quantum computing, with applications spanning areas from chemistry and materials modeling to quantum optimization and benchmarking. A variety of approaches have been…

Quantum Physics · Physics 2026-02-09 Ricard Puig , Berta Casas , Alba Cervera-Lierta , Zoë Holmes , Adrián Pérez-Salinas

In a non supervised Bayesian estimation approach for inverse problems in imaging systems, one tries to estimate jointly the unknown image pixels $\fb$ and the hyperparameters $\thetab$. This is, in general, done through the joint posterior…

Data Analysis, Statistics and Probability · Physics 2007-06-14 Ali Mohammad-Djafari

Preparing the ground state of a Hamiltonian is a problem of great significance in physics with deep implications in the field of combinatorial optimization. The adiabatic algorithm is known to return the ground state for sufficiently long…

Quantum Physics · Physics 2023-08-02 Benjamin F. Schiffer , Jordi Tura , J. Ignacio Cirac

We demonstrate that, rather than resorting to high-cost dynamic correlation methods, qualitative failures in excited-state potential energy surface predictions can often be remedied at no additional cost by ensuring that optimal molecular…

Chemical Physics · Physics 2020-06-18 Lan Nguyen Tran , Eric Neuscamman

We propose a variational quantum algorithm for estimating microcanonical expectation values in models obeying the eigenstate thermalization hypothesis. Using a relaxed criterion for convergence of the variational optimization loop, the…

Quantum Physics · Physics 2023-10-16 Klée Pollock , Peter P. Orth , Thomas Iadecola

We consider the problem of estimating the energy of a quantum state preparation for a given Hamiltonian in Pauli decomposition. For various quantum algorithms, in particular in the context of quantum chemistry, it is crucial to have energy…

Quantum Physics · Physics 2025-08-20 Alexander Gresch , Uğur Tepe , Martin Kliesch

Variational methods have proven to be excellent tools to approximate ground states of complex many body Hamiltonians. Generic tools like neural networks are extremely powerful, but their parameters are not necessarily physically motivated.…

Strongly Correlated Electrons · Physics 2022-03-04 Agnes Valenti , Eliska Greplova , Netanel H. Lindner , Sebastian D. Huber

We propose a scheme to restore spatial symmetry of Hamiltonian in the variational-quantum-eigensolver (VQE) algorithm for which the quantum circuit structures used usually break the Hamiltonian symmetry. The symmetry-adapted VQE scheme…

Quantum Physics · Physics 2020-06-01 Kazuhiro Seki , Tomonori Shirakawa , Seiji Yunoki

Proposed hybrid algorithms encode a combinatorial cost function into a problem Hamiltonian and optimize its energy by varying over a set of states with low circuit complexity. Classical processing is typically only used for the choice of…

Quantum Physics · Physics 2022-08-25 Libor Caha , Alexander Kliesch , Robert Koenig

We present a physically motivated variational wave function for the ground state of the asymmetric quantum Rabi model (AQRM). The wave function is a weighted superposition of squeezed coherent states entangled with non-orthogonal qubit…

Quantum Physics · Physics 2021-01-15 Zi-Min Li , Devid Ferri , Murray T. Batchelor

In this semi-tutorial paper, we first review the information-theoretic approach to account for the computational costs incurred during the search for optimal actions in a sequential decision-making problem. The traditional (MDP) framework…

Artificial Intelligence · Computer Science 2021-02-23 Daniel T. Larsson , Daniel Braun , Panagiotis Tsiotras

In this note we propose a new variant of the hybrid variance-reduced proximal gradient method in [7] to solve a common stochastic composite nonconvex optimization problem under standard assumptions. We simply replace the independent…

Optimization and Control · Mathematics 2020-08-21 Deyi Liu , Lam M. Nguyen , Quoc Tran-Dinh

Computing many-body ground state energies and resolving electronic structure calculations are fundamental problems for fields such as quantum chemistry or condensed matter. Several quantum computing algorithms that address these problems…

Quantum Physics · Physics 2023-01-12 Karen J. Morenz Korol , Kenny Choo , Antonio Mezzacapo

By design, the variational quantum eigensolver (VQE) strives to recover the lowest-energy eigenvalue of a given Hamiltonian by preparing quantum states guided by the variational principle. In practice, the prepared quantum state is…

Quantum Physics · Physics 2021-06-29 Daniel Claudino , Jerimiah Wright , Alexander J. McCaskey , Travis S. Humble

The cascaded variational quantum eigensolver (CVQE) circumvents the need for iterative communication between the quantum and classical processing units that is necessary in the conventional VQE algorithm. While CVQE offers complete freedom…

Quantum Physics · Physics 2026-05-04 Yi-Hua Lai , John P. T. Stenger , Gloria Bazargan , Igor V. Schweigert , Daniel Gunlycke