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We introduce a multireference selected quantum Krylov (MRSQK) algorithm suitable for quantum simulation of many-body problems. MRSQK is a low-cost alternative to the quantum phase estimation algorithm that generates a target state as a…

Chemical Physics · Physics 2019-11-14 Nicholas H. Stair , Renke Huang , Francesco A. Evangelista

Modern clustering approaches often trade interpretability for performance, particularly in deep learning-based methods. We present Generative Kernel Spectral Clustering (GenKSC), a novel model combining kernel spectral clustering with…

Machine Learning · Computer Science 2025-04-25 David Winant , Sonny Achten , Johan A. K. Suykens

Quantum computing has long promised transformative advances in data analysis, yet practical quantum machine learning has remained elusive due to fundamental obstacles such as a steep quantum cost for the loading of classical data and poor…

Preconditioned Krylov subspace (KSP) methods are widely used for solving large-scale sparse linear systems arising from numerical solutions of partial differential equations (PDEs). These linear systems are often nonsymmetric due to the…

Numerical Analysis · Mathematics 2018-09-05 Aditi Ghai , Cao Lu , Xiangmin Jiao

Quantum Krylov algorithms have emerged as a promising approach for ground-state energy estimation in the near-term quantum computing era. A major challenge, however, lies in their inherently substantial sampling cost, primarily due to the…

Krylov subspace methods are among the most extensively studied early fault-tolerant quantum algorithms for estimating ground-state energies of quantum systems. However, the rapid onset of ill-conditioning might make accurate energies…

Quantum Physics · Physics 2026-04-14 Maria Gabriela Jordão Oliveira , Karl Michael Ziems , Nina Glaser

We have developed an application and implemented parallel algorithms in order to provide a computational framework suitable for massively parallel supercomputers to study the unitary dynamics of quantum systems. We use renowned parallel…

Computational Physics · Physics 2018-11-20 Marlon Brenes , Vipin Kerala Varma , Antonello Scardicchio , Ivan Girotto

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

The task of estimating the ground state of Hamiltonians is an important problem in physics with numerous applications ranging from solid-state physics to combinatorial optimization. We provide a hybrid quantum-classical algorithm for…

Quantum Physics · Physics 2022-02-28 Kishor Bharti , Tobias Haug

Krylov subspace methods in quantum dynamics identify the minimal subspace in which a process unfolds. To date, their use is restricted to time evolutions governed by time-independent generators. We introduce a generalization valid for…

Quantum Physics · Physics 2025-01-27 Kazutaka Takahashi , Adolfo del Campo

Krylov methods provide a fast and highly parallel numerical tool for the iterative solution of many large-scale sparse linear systems. To a large extent, the performance of practical realizations of these methods is constrained by the…

Mathematical Software · Computer Science 2020-09-28 José I. Aliaga , Hartwig Anzt , Thomas Grützmacher , Enrique S. Quintana-Ortí , Andrés E. Tomás

In the present paper, we are interested in developing iterative Krylov subspace methods in tensor structure to solve a class of multilinear systems via Einstein product. In particular, we develop global variants of the GMRES and…

Numerical Analysis · Mathematics 2020-05-18 M. El Guide , A. El Ichi , F. P. A Beik , K. Jbilou

Model-based reconstruction plays a key role in compressed sensing (CS) MRI, as it incorporates effective image regularizers to improve the quality of reconstruction. The Plug-and-Play and Regularization-by-Denoising frameworks leverage…

Image and Video Processing · Electrical Eng. & Systems 2026-01-13 Tao Hong , Umberto Villa , Jeffrey A. Fessler

We propose a class of randomized quantum Krylov diagonalization (rQKD) algorithms capable of solving the eigenstate estimation problem with modest quantum resource requirements. Compared to previous real-time evolution quantum Krylov…

Quantum Physics · Physics 2023-03-29 Nicholas H. Stair , Cristian L. Cortes , Robert M. Parrish , Jeffrey Cohn , Mario Motta

Given the inherent limitations of traditional Variational Quantum Eigensolver(VQE) algorithms, the integration of deep generative models into hybrid quantum-classical frameworks, specifically the Generative Quantum Eigensolver(GQE),…

Chemical Physics · Physics 2025-09-25 Zhi Yin , Xiaoran Li , Shengyu Zhang , Xin Li , Xiaojin Zhang

Within the realm of early fault-tolerant quantum computing (EFTQC), quantum Krylov subspace diagonalization (QKSD) has emerged as a promising quantum algorithm for the approximate Hamiltonian diagonalization via projection onto the quantum…

Quantum Physics · Physics 2025-04-11 Gwonhak Lee , Seonghoon Choi , Joonsuk Huh , Artur F. Izmaylov

Quantum kernel methods offer significant theoretical benefits by rendering classically inseparable features separable in quantum space. Yet, the practical application of Quantum Machine Learning (QML), currently constrained by the…

Machine Learning · Computer Science 2026-02-03 Philipp Altmann , Maximilian Mansky , Maximilian Zorn , Jonas Stein , Claudia Linnhoff-Popien

The advancement of diverse generative deep learning models and their variants has furnished substantial insights for investigating quantum many-body problems. In this work, we design two models based on the foundational architecture of…

Quantum Physics · Physics 2026-02-25 Yanyang Wang , Feng Gao , Kui Tuo , Wei Li

We review our recently developed methods for large-scale electronic structure calculations, both in one-electron theory and many-electron theory. The method are based on the density matrix representation, together with the Wannier state…

Materials Science · Physics 2008-02-07 Takeo Fujiwara , Takeo Hoshi , Susumu Yamamoto

When the dynamics of a quantum system of interest is known, an informationally-complete set of observables is not needed for state reconstruction via tomographic techniques: letting the system evolve before performing the measurement allows…

Quantum Physics · Physics 2026-02-17 Marco Peruzzo , Tommaso Grigoletto , Francesco Ticozzi