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The emergence of huge-scale, data-intensive linear optimization (LO) problems in applications such as machine learning has driven the need for more computationally efficient interior point methods (IPMs). While conventional IPMs are…

We introduce machine learning models of quantum mechanical observables of atoms in molecules. Instant out-of-sample predictions for proton and carbon nuclear chemical shifts, atomic core level excitations, and forces on atoms reach…

Chemical Physics · Physics 2015-08-26 Matthias Rupp , Raghunathan Ramakrishnan , O. Anatole von Lilienfeld

The paper deals with quantum pulse position modulation (PPM), both in the absence (pure states) and in the presence (mixed states) of thermal noise, using the Glauber representation of coherent laser radiation. The objective is to find…

Quantum Physics · Physics 2009-11-16 G. Cariolaro , G. Pierobon

We study quantum algorithms for approximating Lasserre's hierarchy values for polynomial optimization. Let $f,g_1,\ldots,g_m$ be real polynomials in $n$ variables and $f^\star$ the infimum of $f$ over the semialgebraic set $S(g)=\{x:…

Quantum Physics · Physics 2025-11-19 Daniel Stilck França , Ngoc Hoang Anh Mai

Efficiently characterizing large quantum states and processes is a central yet notoriously challenging task in quantum information science, as conventional tomography methods typically require resources that grow exponentially with system…

Quantum Physics · Physics 2026-03-03 Chenyang Li , Shengxin Zhuang , Yukun Zhang , Jingbo B. Wang , Xiao Yuan , Yusen Wu , Chuan Wang

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

To simulate plasma phenomena, large-scale computational resources have been employed in developing high-precision and high-resolution plasma simulations. One of the main obstacles in plasma simulations is the requirement of computational…

Quantum Physics · Physics 2025-11-17 Hayato Higuchi , Yuki Ito , Kazuki Sakamoto , Keisuke Fujii , Akimasa Yoshikawa

Scalable characterization of quantum processors is crucial for mitigating noise and imperfections. While randomized measurement protocols enable efficient access to local observables, inferring a globally consistent description of…

Quantum Physics · Physics 2026-03-10 Zidu Liu , Dominik S. Wild

Nearest-neighbour clustering is a powerful set of heuristic algorithms that find natural application in the decoding of signals transmitted using the M-Quadrature Amplitude Modulation (M-QAM) protocol. Lloyd et al. proposed a quantum…

We propose a quantum algorithm that emulates the action of an unknown unitary transformation on a given input state, using multiple copies of some unknown sample input states of the unitary and their corresponding output states. The…

Quantum Physics · Physics 2024-03-27 Iman Marvian , Seth Lloyd

Quantum computation offers potential exponential speedups for simulating certain physical systems, but its application to nonlinear dynamics is inherently constrained by the requirement of unitary evolution. We propose the quantum Koopman…

Quantum Physics · Physics 2025-07-30 Baoyang Zhang , Zhen Lu , Yaomin Zhao , Yue Yang

Recent results by Harrow et. al. and by Ta-Shma, suggest that quantum computers may have an exponential advantage in solving a wealth of linear algebraic problems, over classical algorithms. Building on the quantum intuition of these…

Quantum Physics · Physics 2017-04-07 Michael Ben-Or , Lior Eldar

Eigenvalue transformations, which include solving time-dependent differential equations as a special case, have a wide range of applications in scientific and engineering computation. While quantum algorithms for singular value…

Quantum Physics · Physics 2024-11-07 Dong An , Andrew M. Childs , Lin Lin , Lexing Ying

Rational functions are exceptionally powerful tools in scientific computing, yet their abilities to advance quantum algorithms remain largely untapped. In this paper, we introduce effective implementations of rational transformations of a…

Quantum Physics · Physics 2026-02-18 Yizhi Shen , Niel Van Buggenhout , Daan Camps , Katherine Klymko , Roel Van Beeumen

We transform the problem of solving linear system of equations $A\mathbf{x}=\mathbf{b}$ to a problem of finding the right singular vector with singular value zero of an augmented matrix $C$, and present two quantum algorithms for solving…

Quantum Physics · Physics 2023-01-20 Hefeng Wang , Hua Xiang

Accurate computation of multiple eigenvalues of quantum Hamiltonians is essential in quantum chemistry, materials science, and molecular spectroscopy. Estimating excited-state energies is challenging for classical algorithms due to…

Quantum Physics · Physics 2026-05-22 Grzegorz Rajchel-Mieldzioć , Szymon Pliś , Emil Zak

Logistic regression (LR) is an important machine learning model for classification, with wide applications in text classification, image analysis and medicine diagnosis, etc. However, training LR generally entails an iterative gradient…

Quantum Physics · Physics 2019-07-12 Hai-Ling Liu , Chao-Hua Yu , Yu-Sen Wu , Shi-Jie Pan , Su-Juan Qin , Fei Gao , Qiao-Yan Wen

We propose a quantum algorithm for solving the following problem: given the Hamiltonian of a physical system and one of its eigenvalues, how to obtain the corresponding eigenstate? The algorithm is based on the resonance phenomena. For a…

Quantum Physics · Physics 2016-06-01 Hefeng Wang

The present paper gives a review of our recent progress and latest results for novel linear-algebraic algorithms and its application to large-scale quantum material simulations or electronic structure calculations. The algorithms are…

Effective quantum computation relies upon making good use of the exponential information capacity of a quantum machine. A large barrier to designing quantum algorithms for execution on real quantum machines is that, in general, it is…

Quantum Physics · Physics 2020-05-12 Adam Holmes , A. Y. Matsuura
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