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Spectroscopy is the most important method for probing the structure of molecules. However, predicting molecular spectra on classical computers is computationally expensive, with the most accurate methods having a cost that grows…

Quantum Physics · Physics 2025-10-06 Liam P. Flew , Ivan Kassal

Quantum reservoir computers (QRCs) have emerged as a promising approach to quantum machine learning, since they utilize the natural dynamics of quantum systems for data processing and are simple to train. Here, we consider $n$-qubit quantum…

Quantum Physics · Physics 2026-04-09 Markus Gross , Hans-Martin Rieser

A numerical method is proposed for computing time-periodic and relative time-periodic solutions in dissipative wave systems. In such solutions, the temporal period, and possibly other additional internal parameters such as the propagation…

Pattern Formation and Solitons · Physics 2014-08-28 Jianke Yang

Quantum signal processing (QSP) is a powerful quantum algorithm to exactly implement matrix polynomials on quantum computers. Asymptotic analysis of quantum algorithms based on QSP has shown that asymptotically optimal results can in…

Quantum Physics · Physics 2021-07-13 Yulong Dong , Xiang Meng , K. Birgitta Whaley , Lin Lin

Quantum signal processing (QSP) is a methodology for constructing polynomial transformations of a linear operator encoded in a unitary. Applied to an encoding of a state $\rho$, QSP enables the evaluation of nonlinear functions of the form…

Quantum Physics · Physics 2025-08-28 John M. Martyn , Zane M. Rossi , Kevin Z. Cheng , Yuan Liu , Isaac L. Chuang

Quantum phase estimation (QPE) is the key subroutine of several quantum computing algorithms as well as a central ingredient in quantum computational chemistry and quantum simulation. While QPE strategies have focused on the estimation of a…

Quantum Physics · Physics 2021-07-26 Valentin Gebhart , Augusto Smerzi , Luca Pezzè

Optimal prediction methods compensate for a lack of resolution in the numerical solution of time-dependent differential equations through the use of prior statistical information. We present a new derivation of the basic methodology, show…

Numerical Analysis · Mathematics 2025-10-20 A. J. Chorin , R. Kupferman , D. Levy

The phase estimation algorithm is a powerful quantum algorithm with applications in cryptography, number theory, and simulation of quantum systems. We use this algorithm to simulate the time evolution of a system of two spin-1/2 particles…

Quantum Physics · Physics 2021-05-12 Scott Johnstun , Jean-François Van Huele

We describe an algorithm for using a quantum computer to calculate mean values of observables and the partition function of a quantum system. Our algorithm includes two sub-algorithms. The first sub-algorithm is for calculating, with…

Quantum Physics · Physics 2010-11-10 Robert R. Tucci

This dissertation studies the statistics and modeling of a quantum system probed by a coherent laser field. We focus on an ensemble of qubits dispersively coupled to a traveling wave light field. The first research topic explores the…

Quantum Physics · Physics 2013-01-29 Robert L. Cook

The Fourier spectrum at a fractional period is often examined when extracting features from biological sequences and time series. It reflects the inner information structure of the sequences. A fractional period is not uncommon in time…

Spectral Theory · Mathematics 2017-11-03 Jiasong Wang , Changchuan Yin

Numerical calculus algorithms which estimate derivatives and integrals from data series acquired either via measurements or by sampling functions are essential in scientific computing. To date, a few quantum algorithms have been developed…

Quantum Physics · Physics 2026-03-23 Jordan Cioni , Fabio Semperlotti

This paper proposes a new large-scale mask-compliant spectral precoder (LS-MSP) for orthogonal frequency division multiplexing systems. In this paper, we first consider a previously proposed mask-compliant spectral precoding scheme that…

Signal Processing · Electrical Eng. & Systems 2019-05-17 Shashi Kant , Gabor Fodor , Mats Bengtsson , Bo Göransson , Carlo Fischione

Spectral polynomial approximation of smooth functions allows real-time manipulation of and computation with them, as in the Chebfun system. Extension of the technique to two-dimensional and three-dimensional functions on hyperrectangles has…

Numerical Analysis · Mathematics 2019-01-21 Kevin W. Aiton , Tobin A. Driscoll

In this paper, we consider the computational protein design (CPD) problem, which is usually modeled as a 0/1 programming and is extremely challenging due to its combinatorial properties. We propose an efficient algorithm for solving it.…

Optimization and Control · Mathematics 2024-12-30 Yukai Zheng , Weikun Chen , Qingna Li

Gradient descent method, as one of the major methods in numerical optimization, is the key ingredient in many machine learning algorithms. As one of the most fundamental way to solve the optimization problems, it promises the function value…

Quantum Physics · Physics 2021-02-01 Keren Li , Shijie Wei , Feihao Zhang , Pan Gao , Zengrong Zhou , Tao Xin , Xiaoting Wang , Guilu Long

The paradigm of reservoir computing exploits the nonlinear dynamics of a physical reservoir to perform complex time-series processing tasks such as speech recognition and forecasting. Unlike other machine-learning approaches, reservoir…

Quantum Physics · Physics 2021-11-08 Saeed Ahmed Khan , Fangjun Hu , Gerasimos Angelatos , Hakan E. Türeci

Quantum mechanics/molecular mechanics (QM/MM) hybrid models allow one to address chemical phenomena in complex molecular environments. Whereas this modeling approach can cope with a large system size at moderate computational costs, the…

Computational Physics · Physics 2023-01-10 Katja-Sophia Csizi , Markus Reiher

This work addresses a central challenge in the numerical analysis of the cutoff spatially homogeneous Boltzmann equation: the development of rigorously justified, accurate numerical schemes. We present (i) a novel Fourier spectral method…

Numerical Analysis · Mathematics 2026-03-30 Yanzhi Gui , Ling-Bing He , Liu Liu

We present quasicyclic principal component analysis (QPCA), a generalization of principal component analysis (PCA), that determines an optimized basis for a dataset in terms of families of shift-orthogonal principal vectors. This is of…

Numerical Analysis · Mathematics 2025-02-11 Susanna E. Rumsey , Stark C. Draper , Frank R. Kschischang