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In this paper, we present efficient quantum algorithms that are exponentially faster than classical algorithms for solving the quantum optimal control problem. This problem involves finding the control variable that maximizes a physical…

Quantum Physics · Physics 2023-10-02 Xiantao Li , Chunhao Wang

Physics-informed neural networks have been widely applied to learn general parametric solutions of differential equations. Here, we propose a neural network to discover parametric eigenvalue and eigenfunction surfaces of quantum systems. We…

Machine Learning · Computer Science 2022-11-22 Marios Mattheakis , Gabriel R. Schleder , Daniel T. Larson , Efthimios Kaxiras

First-order stochastic methods are the state-of-the-art in large-scale machine learning optimization owing to efficient per-iteration complexity. Second-order methods, while able to provide faster convergence, have been much less explored…

Machine Learning · Statistics 2017-12-01 Naman Agarwal , Brian Bullins , Elad Hazan

Deep quantum neural networks may provide a promising way to achieve quantum learning advantage with noisy intermediate scale quantum devices. Here, we use deep quantum feedforward neural networks capable of universal quantum computation to…

Quantum Physics · Physics 2020-08-14 Zidu Liu , L. -M. Duan , Dong-Ling Deng

Switching time optimization arises in finite-horizon optimal control for switched systems where, given a sequence of continuous dynamics, one minimizes a cost function with respect to the switching times. We propose an efficient method for…

Optimization and Control · Mathematics 2017-05-09 Bartolomeo Stellato , Sina Ober-Blöbaum , Paul J. Goulart

We present quantum algorithms for electromagnetic fields governed by Maxwell's equations. The algorithms are based on the Schr\"odingersation approach, which transforms any linear PDEs and ODEs with non-unitary dynamics into a system…

Quantum Physics · Physics 2023-08-17 Shi Jin , Nana Liu , Chuwen Ma

In this paper, we present quantum algorithms for a class of highly-oscillatory transport equations, which arise in semiclassical computation of surface hopping problems and other related non-adiabatic quantum dynamics, based on the…

Numerical Analysis · Mathematics 2025-09-05 Anjiao Gu , Shi Jin

We present a subspace method based on neural networks (SNN) for solving the partial differential equation with high accuracy. The basic idea of our method is to use some functions based on neural networks as base functions to span a…

Numerical Analysis · Mathematics 2024-04-15 Zhaodong Xu , Zhiqiang Sheng

In this paper, we introduce a novel approach to solve the many-body Schrodinger equation by the tensor neural network. Based on the tensor product structure, we can do the direct numerical integration by using fixed quadrature points for…

Computational Physics · Physics 2025-02-27 Yangfei Liao , Zhongshuo Lin , Jianghao Liu , Qingyuan Sun , Yifan Wang , Teng Wu , Hehu Xie , Mingfeng He

We analyze the Schr\"odingerization method for quantum simulation of a general class of non-unitary dynamics with inhomogeneous source terms. The Schr\"odingerization technique, introduced in [31], transforms any linear ordinary and partial…

Numerical Analysis · Mathematics 2025-04-15 Shi Jin , Nana Liu , Chuwen Ma

We present a novel numerical method and algorithm for the solution of the 3D axially symmetric time-dependent Schr\"odinger equation in cylindrical coordinates, involving singular Coulomb potential terms besides a smooth time-dependent…

Atomic Physics · Physics 2017-07-11 Szilárd Majorosi , Attila Czirják

The Schrodinger equation is a mathematical equation describing the wave function's behavior in a quantum-mechanical system. It is a partial differential equation that provides valuable insights into the fundamental principles of quantum…

Numerical Analysis · Mathematics 2024-02-22 Kourosh Parand , Aida Pakniyat

We propose and analyze several inexact regularized Newton-type methods for finding a global saddle point of convex-concave unconstrained min-max optimization problems. Compared to first-order methods, our understanding of second-order…

Optimization and Control · Mathematics 2026-05-27 Tianyi Lin , Panayotis Mertikopoulos , Michael I. Jordan

The semiclassically scaled time-dependent multi-particle Schr\"odinger equation describes, inter alia, quantum dynamics of nuclei in a molecule. It poses the combined computational challenges of high oscillations and high dimensions. This…

Numerical Analysis · Mathematics 2020-12-02 Caroline Lasser , Christian Lubich

Optimization in Deep Learning is mainly dominated by first-order methods which are built around the central concept of backpropagation. Second-order optimization methods, which take into account the second-order derivatives are far less…

Machine Learning · Computer Science 2021-04-09 Fares B. Mehouachi , Chaouki Kasmi

We consider the study of a numerical scheme for an initial- and Dirichlet boundary- value problem for a nonlinear Schr\"odinger equation. We approximate the solution using a, local (non-uniform) two level scheme in time (see C. Besse [6]…

Numerical Analysis · Mathematics 2017-11-02 Mohammad Asadzadeh , Christoffer Standar

We present a very efficient technique for solving the three-dimensional time-dependent Schrodinger equation. Our method is applicable to a wide range of problems where a fullly three-dimensional solution is required, i.e., to cases where no…

Atomic Physics · Physics 2009-11-13 T. K. Kjeldsen , L. A. A. Nikolopoulos , L. B. Madsen

Recent advances in machine learning have facilitated numerically accurate solution of the electronic Schr\"{o}dinger equation (SE) by integrating various neural network (NN)-based wavefunction ansatzes with variational Monte Carlo methods.…

Chemical Physics · Physics 2024-12-13 Yaolong Zhang , Bin Jiang , Hua Guo

In this paper, based on the combination of tensor neural network and a posteriori error estimator, a novel type of machine learning method is proposed to solve high-dimensional boundary value problems with homogeneous and non-homogeneous…

Numerical Analysis · Mathematics 2024-05-07 Yifan Wang , Zhongshuo Lin , Yangfei Liao , Haochen Liu , Hehu Xie

Deep neural networks are usually trained with stochastic gradient descent (SGD), which minimizes objective function using very rough approximations of gradient, only averaging to the real gradient. Standard approaches like momentum or ADAM…

Machine Learning · Computer Science 2023-03-14 Jarek Duda