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We introduce a classical computational method for quantum dynamics that relies on a global-in-time variational principle. Unlike conventional time-stepping approaches, our scheme computes the entire state trajectory over a finite time…

Quantum Physics · Physics 2026-04-27 Alessandro Sinibaldi , Douglas Hendry , Filippo Vicentini , Giuseppe Carleo

In this paper, we present a deep learning-based numerical method for approximating high dimensional stochastic partial differential equations (SPDEs). At each time step, our method relies on a predictor-corrector procedure. More precisely,…

Numerical Analysis · Mathematics 2022-09-13 He Zhang , Ran Zhang , Tao Zhou

A transient magneto-quasistatic vector potential formulation involving nonlinear material is spatially discretized using the finite element method of first and second polynomial order. By applying a generalized Schur complement the…

Computational Engineering, Finance, and Science · Computer Science 2020-11-09 Bernhard Kähne , Markus Clemens , Sebastian Schöps

We study nonlinear constrained optimization problems in which only function evaluations of the objective and constraints are available. Existing zeroth-order methods rely on noisy gradient and Jacobian surrogates in high dimensions, making…

Optimization and Control · Mathematics 2026-04-03 Runyu Zhang , Gioele Zardini

In this paper we present a novel quasi-Newton algorithm for use in stochastic optimisation. Quasi-Newton methods have had an enormous impact on deterministic optimisation problems because they afford rapid convergence and computationally…

Systems and Control · Electrical Eng. & Systems 2019-09-04 Adrian Wills , Thomas Schön

Making use of an universal quantum network or QCPU proposed by me [6], some special quantum networks for simulating some quantum systems are given out. Specially, it is obtained that the quantum network for the time evolution operator which…

Quantum Physics · Physics 2009-09-25 An Min Wang

We propose a class of numerical methods for the nonlinear Schr\"odinger (NLS) equation that conserves mass and energy, is of arbitrarily high-order accuracy in space and time, and requires only the solution of a scalar algebraic equation…

Numerical Analysis · Mathematics 2025-10-17 Hendrik Ranocha , David I. Ketcheson

An algorithm is proposed for solving optimization problems arising in neural network training for supervised learning. The unique feature of the algorithm is the use of an auxiliary loss, in addition to the original loss employed for model…

Optimization and Control · Mathematics 2026-05-11 Yunlang Zhu , Lingjun Guo , Zahra Khatti , Xiaoyi Qu , Chia-Yuan Wu , Lara Zebiane , Frank E. Curtis

The matrix Numerov method provides an efficient framework for solving the time-independent Schr\"odinger equation as a matrix eigenvalue problem. However, for singular potentials such as the Coulomb interaction, the expected fourth-order…

Atomic Physics · Physics 2026-03-11 Nir Barnea

Model reduction for fluid flow simulation continues to be of great interest across a number of scientific and engineering fields. Here, we explore the use of Neural Ordinary Differential Equations, a recently introduced family of…

Machine Learning · Computer Science 2021-04-30 Sourav Dutta , Peter Rivera-Casillas , Matthew W. Farthing

The nonlinear Schr\"{o}dinger equation (NLSE) is one of the most important equations in quantum mechanics, and appears in a wide range of applications including optical fibre communications, plasma physics and biomolecule dynamics. It is a…

Numerical Analysis · Mathematics 2019-07-05 J. A. Mackenzie , W. R. Mekwi

In this paper, we apply the optimized Schwarz method to the two dimensional nonlinear Schr{\"o}dinger equation and extend this method to the simulation of Bose-Einstein condensates (Gross-Pitaevskii equation). We propose an extended version…

Numerical Analysis · Mathematics 2016-03-17 Christophe Besse , Feng Xing

A method of solving the time-dependent Schr\"odinger equation is presented, in which a finite region of space is treated explicitly, with the boundary conditions for matching the wave-functions on to the rest of the system replaced by an…

Materials Science · Physics 2009-11-13 J. E. Inglesfield

In this paper, we consider both first- and second-order techniques to address continuous optimization problems arising in machine learning. In the first-order case, we propose a framework of transition from deterministic or…

Machine Learning · Computer Science 2021-11-30 Sanae Lotfi , Tiphaine Bonniot de Ruisselet , Dominique Orban , Andrea Lodi

In recent years, various subspace algorithms have been developed to handle large-scale optimization problems. Although existing subspace Newton methods require fewer iterations to converge in practice, the matrix operations and full…

Optimization and Control · Mathematics 2024-06-05 Taisei Miyaishi , Ryota Nozawa , Pierre-Louis Poirion , Akiko Takeda

Hybrid classical quantum optimization methods have become an important tool for efficiently solving problems in the current generation of NISQ computers. These methods use an optimization algorithm executed in a classical computer, fed with…

Quantum Physics · Physics 2023-08-02 J. Gidi , B. Candia , A. D. Muñoz-Moller , A. Rojas , L. Pereira , M. Muñoz , L. Zambrano , A. Delgado

We introduce two multiscale numerical schemes for the time integration of weakly nonlinear Schr\"odinger equations, built upon the discretization of Picard iterates of the solution. These high-order schemes are designed to achieve high…

Numerical Analysis · Mathematics 2025-07-04 Quentin Chauleur , Antoine Mouzard

We modify the Schr\"{o}dinger equation in a way that preserves its main properties but makes use of higher order derivative terms. Although the modification represents an analogy to the Doebner-Goldin modification, it can differ from it…

Quantum Physics · Physics 2007-05-23 Waldemar Puszkarz

Quantum Neural Networks (QNNs) are a promising variational learning paradigm with applications to near-term quantum processors, however they still face some significant challenges. One such challenge is finding good parameter initialization…

In this paper, we apply the Schwarz Waveform Relaxation (SWR) method to the one dimensional Schr{\"o}dinger equation with a general linear or a nonlinear potential. We propose a new algorithm for the Schr{\"o}dinger equation with time…

Numerical Analysis · Mathematics 2015-03-10 C Besse , F Xing
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