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Krylov quantum diagonalization methods have emerged as a promising use case for quantum computers. However, many existing implementations rely on controlled operations, which pose challenges to near-term quantum hardware. We introduce a…

Quantum Physics · Physics 2025-10-15 Nicola Mariella , Enrique Rico , Adam Byrne , Sergiy Zhuk

Density functional theory with plane-wave basis sets is widely employed in computational materials science, including applications to isolated molecular systems. However, the inadequate description of electron correlation remains a…

Chemical Physics · Physics 2026-04-21 Qian Wang , Calvin Ku , Jyh-Pin Chou , Peng-Jen Chen , Alice Hu , Min-Hsiu Hsieh

The Kernel Polynomial Method (KPM) is one of the fast diagonalization methods used for simulations of quantum systems in research fields of condensed matter physics and chemistry. The algorithm has a difficulty to be parallelized on a…

Computational Physics · Physics 2011-05-30 Shixun Zhang , Shinichi Yamagiwa , Masahiko Okumura , Seiji Yunoki

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

This article presents a quantum computing approach to designing of similarity measures and kernels for classification of stochastic symbolic time series. In the area of machine learning, kernels are important components of various…

Quantum Physics · Physics 2025-06-10 Vanio Markov , Vladimir Rastunkov , Daniel Fry

Accurate calculations of the spectral density in a strongly correlated quantum many-body system are of fundamental importance to study its dynamics in the linear response regime. Typical examples are the calculation of inclusive and…

Nuclear Theory · Physics 2022-06-15 Joanna E. Sobczyk , Alessandro Roggero

Building on recent advances in quantum algorithms which measure and reuse qubits and in efficient classical simulation leveraging projective measurements, we extend these frameworks to real-time dynamics of quantum many-body systems…

Quantum Physics · Physics 2025-12-08 Bo Xiao , Benedikt Kloss , E. Miles Stoudenmire

Quantum circuit simulation provides the foundation for the development of quantum algorithms and the verification of quantum supremacy. Among the various methods for quantum circuit simulation, tensor network contraction has been increasing…

Quantum Physics · Physics 2023-07-11 Hiroyuki Ootomo , Hidetaka Manabe , Kenji Harada , Rio Yokota

The chemical Langevin equation (CLE) is a popular simulation method to probe the stochastic dynamics of chemical systems. The CLE's main disadvantage is its break down in finite time due to the problem of evaluating square roots of negative…

Quantitative Methods · Quantitative Biology 2014-07-22 David Schnoerr , Guido Sanguinetti , Ramon Grima

Rotating systems in thermal equilibrium are ubiquitous in our world. In the context of high energy physics, rotations would affect the phase structure of QCD. However, the standard Monte-Carlo methods in rotating systems are problematic…

High Energy Physics - Theory · Physics 2023-08-23 Takehiro Azuma , Takeshi Morita , Hiroki Yoshida

In this proceeding, the deep Convolutional Neural Networks (CNNs) are deployed to recognize the order of QCD phase transition and predict the dynamical parameters in Langevin processes. To overcome the intrinsic randomness existed in a…

Nuclear Theory · Physics 2022-02-07 Lingxiao Wang , Lijia Jiang , Kai Zhou

The performance of reproducing kernel Hilbert space-based methods is known to be sensitive to the choice of the reproducing kernel. Choosing an adequate reproducing kernel can be challenging and computationally demanding, especially in…

Machine Learning · Computer Science 2023-11-07 Emilio Ruiz-Moreno , Baltasar Beferull-Lozano

Support Vector Machines (SVMs) are powerful learners that have led to state-of-the-art results in various computer vision problems. SVMs suffer from various drawbacks in terms of selecting the right kernel, which depends on the image…

Computer Vision and Pattern Recognition · Computer Science 2014-03-31 Gemma Roig , Xavier Boix , Luc Van Gool

We study numerical methods for the generalized Langevin equation (GLE) with a positive Prony series memory kernel, in which case the GLE can be written in an extended variable Markovian formalism. We propose a new splitting method that is…

Computational Physics · Physics 2022-05-31 Manh Hong Duong , Xiaocheng Shang

We present a general scheme for performing a simulation of the dynamics of one quantum system using another. This scheme is used to experimentally simulate the dynamics of truncated quantum harmonic and anharmonic oscillators using nuclear…

Quantum Physics · Physics 2009-01-23 S. S. Somaroo , C. H. Tseng , T. F. Havel , R. Laflamme , D. G. Cory

Hadronic tensors encode the nonperturbative structure of hadrons probed in deep inelastic scattering (DIS), yet their direct evaluation requires real-time evolution that presents a challenge for traditional Euclidean lattice approaches. In…

High Energy Physics - Phenomenology · Physics 2026-05-27 Kazuki Ikeda , Zhong-Bo Kang , Dmitri E. Kharzeev , Wenyang Qian

Generalized Langevin dynamics (GLD) arise in the modeling of a number of systems, ranging from structured fluids that exhibit a viscoelastic mechanical response, to biological systems, and other media that exhibit anomalous diffusive…

Computational Physics · Physics 2013-07-25 Andrew D. Baczewski , Stephen D. Bond

This paper studies random lozenge tilings of general non-convex polygonal regions. We show that the pairwise interaction of the non-convexities leads asymptotically to new kernels and thus to new statistics for the tiling fluctuations. The…

Mathematical Physics · Physics 2018-11-21 Mark Adler , Kurt Johansson , Pierre van Moerbeke

The positive definiteness of real quadratic forms with convolution structures plays an important role in stability analysis for time-stepping schemes for nonlocal operators.In this work, we present a novel analysis tool to handle discrete…

Numerical Analysis · Mathematics 2023-11-23 Hong-lin Liao , Tao Tang , Tao Zhou

In modern data analysis, nonparametric measures of discrepancies between random variables are particularly important. The subject is well-studied in the frequentist literature, while the development in the Bayesian setting is limited where…

Methodology · Statistics 2022-01-25 Qinyi Zhang , Veit Wild , Sarah Filippi , Seth Flaxman , Dino Sejdinovic