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The accurate solution of dissipative quantum dynamics plays an important role on the simulation of open quantum systems. Here we propose a machine-learning-based universal solver for the hierarchical equations of motion, one of the most…

Chemical Physics · Physics 2026-05-19 Jiaji Zhang , Lipeng Chen

In this communication we demonstrate that a deep artificial neural network based on a transformer architecture with self-attention layers can predict the long-time population dynamics of a quantum system coupled to a dissipative environment…

Quantum Physics · Physics 2024-10-16 Luis E. Herrera Rodríguez , Alexei A. Kananenka

We propose an optimization algorithm to improve the design and performance of quantum communication networks. When physical architectures become too complex for analytical methods, numerical simulation becomes essential to study quantum…

Quantum Physics · Physics 2025-08-21 Luise Prielinger , Álvaro G. Iñesta , Gayane Vardoyan

Describing the dynamics of strong-laser driven open quantum systems is a very challenging task that requires the solution of highly involved equations of motion. While machine learning techniques are being applied with some success to…

Quantum Physics · Physics 2025-01-24 Jiaji Zhang , Carlos L. Benavides-Riveros , Lipeng Chen

Exact numerical simulations of dynamics of open quantum systems often require immense computational resources. We demonstrate that a deep artificial neural network comprised of convolutional layers is a powerful tool for predicting…

Computational Physics · Physics 2020-12-22 Luis E. Herrera Rodriguez , Alexei A. Kananenka

The ongoing development of quantum processors is driving breakthroughs in scientific discovery. Despite this progress, the formidable cost of fabricating large-scale quantum processors means they will remain rare for the foreseeable future,…

Quantum Physics · Physics 2025-07-24 Wei-You Liao , Yuxuan Du , Xinbiao Wang , Tian-Ci Tian , Yong Luo , Bo Du , Dacheng Tao , He-Liang Huang

Neural operators have emerged as a powerful tool for solving partial differential equations in the context of scientific machine learning. Here, we implement and train a modified Fourier neural operator as a surrogate solver for…

Computational Physics · Physics 2023-03-29 Yannick Augenstein , Taavi Repän , Carsten Rockstuhl

The dominant paradigm for power system dynamic simulation is to build system-level simulations by combining physics-based models of individual components. The sheer size of the system along with the rapid integration of inverter-based…

Systems and Control · Electrical Eng. & Systems 2024-10-24 Matthew Bossart , Jose Daniel Lara , Ciaran Roberts , Rodrigo Henriquez-Auba , Duncan Callaway , Bri-Mathias Hodge

Recent breakthroughs in artificial intelligence (AI) are reshaping the way we construct computational counterparts of the brain, giving rise to a new class of ``surrogate brains''. In contrast to conventional hypothesis-driven biophysical…

Neurons and Cognition · Quantitative Biology 2025-10-14 Yinuo Zhang , Demao Liu , Zhichao Liang , Jiani Cheng , Kexin Lou , Jinqiao Duan , Ting Gao , Bin Hu , Quanying Liu

We present a graph neural network (GNN) based surrogate framework for molecular dynamics simulations that directly predicts atomic displacements and learns the underlying evolution operator of an atomistic system. Unlike conventional…

Materials Science · Physics 2025-12-29 Judah Immanuel , Avik Mahata , Aniruddha Maiti

Nonautonomous linear ordinary differential equations of the form $\dot{v}(t) = A(t)\, v(t)$, where $A(t)$ is non-skew-symmetric, are often used to describe nonunitary dynamics in a variety of fields that range from open quantum system…

Quantum Physics · Physics 2026-05-29 Pouya Khazaei , Eitan Geva

Time-periodic quantum systems exhibit a rich variety of far-from-equilibrium phenomena and serve as ideal platforms for quantum engineering and control. However, simulating their dynamics with conventional numerical methods remains…

Quantum Physics · Physics 2025-09-10 Zihao Qi , Yang Peng , Christopher Earls

This paper develops a surrogate model refinement approach for the simulation of dynamical systems and the solution of optimization problems governed by dynamical systems in which surrogates replace expensive-to-compute state- and…

Optimization and Control · Mathematics 2025-09-08 Jonathan R. Cangelosi , Matthias Heinkenschloss

Quantum systems governed by time-dependent Hamiltonians pose significant challenges for the accurate computation of unitary time-evolution operators, which are essential for predicting quantum state dynamics. In this work, we introduce a…

Quantum Physics · Physics 2026-01-21 Antonio Guerra , Daniel Uzcategui-Contreras , Aldo Delgado , Esteban S. Gómez

We present a deep learning framework for quantifying and propagating uncertainty in systems governed by non-linear differential equations using physics-informed neural networks. Specifically, we employ latent variable models to construct…

Machine Learning · Statistics 2019-06-26 Yibo Yang , Paris Perdikaris

Non-Markovian quantum state diffusion provides a wavefunction-based framework for modeling open quantum systems. In this work, we introduce a novel machine learning approach based on an operator construction algorithm. This algorithm…

Quantum Physics · Physics 2025-09-03 Jiaji Zhang , Carlos L. Benavides-Riveros , Lipeng Chen

Linear dissipative differential equation is a fundamental model for a large number of physical systems, such as quantum dynamics with non-Hermitian Hamiltonian, open quantum system dynamics, diffusion process and damped system. In this…

Quantum Physics · Physics 2025-08-22 Gengzhi Yang , Akwum Onwunta , Dong An

The challenge posed by the many-body problem in quantum physics originates from the difficulty of describing the non-trivial correlations encoded in the exponential complexity of the many-body wave function. Here we demonstrate that…

Disordered Systems and Neural Networks · Physics 2017-02-13 Giuseppe Carleo , Matthias Troyer

Whilst the partial differential equations that govern the dynamics of our world have been studied in great depth for centuries, solving them for complex, high-dimensional conditions and domains still presents an incredibly large…

Machine Learning · Computer Science 2023-03-07 Edward Small

Developing surrogates for computer models has become increasingly important for addressing complex problems in science and engineering. This article introduces an artificial intelligent (AI) surrogate, referred to as the DeepSurrogate, for…

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