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This article introduces a new data-driven approach that leverages a manifold embedding generated by the invertible neural network to improve the robustness, efficiency, and accuracy of the constitutive-law-free simulations with limited…

Machine Learning · Computer Science 2022-05-19 Bahador Bahmani , WaiChing Sun

We give an algorithm for prediction on a quantum computer which is based on a linear regression model with least squares optimisation. Opposed to related previous contributions suffering from the problem of reading out the optimal…

Quantum Physics · Physics 2016-09-07 Maria Schuld , Ilya Sinayskiy , Francesco Petruccione

Reservoir computing is a machine learning framework that uses artificial or physical dissipative dynamics to predict time-series data using nonlinearity and memory properties of dynamical systems. Quantum systems are considered as promising…

Forecasting dynamical systems is of importance to numerous real-world applications. When possible, dynamical systems forecasts are constructed based on first-principles-based models such as through the use of differential equations. When…

Machine Learning · Computer Science 2024-08-01 Vinamr Jain , Romit Maulik

Quantum machine learning (QML) is emerging as an application of quantum computing with the potential to deliver quantum advantage, but its realisation for practical applications remains impeded by challenges. Amongst those, a key barrier is…

The wide-ranging adoption of quantum technologies requires practical, high-performance advances in our ability to maintain quantum coherence while facing the challenge of state collapse under measurement. Here we use techniques from control…

Quantum Physics · Physics 2017-02-01 Sandeep Mavadia , Virginia Frey , Jarrah Sastrawan , Stephen Dona , Michael J. Biercuk

Kernel methods are a cornerstone of classical machine learning. The idea of using quantum computers to compute kernels has recently attracted attention. Quantum embedding kernels (QEKs) constructed by embedding data into the Hilbert space…

Deep learning has proven to be a suitable alternative to least-squares (LSQ) fitting for parameter estimation in various quantitative MRI (QMRI) models. However, current deep learning implementations are not robust to changes in MR…

The feasibility of variational quantum algorithms, the most popular correspondent of neural networks on noisy, near-term quantum hardware, is highly impacted by the circuit depth of the involved parametrized quantum circuits (PQCs). Higher…

Machine Learning · Computer Science 2024-11-01 Philipp Schleich , Marta Skreta , Lasse B. Kristensen , Rodrigo A. Vargas-Hernández , Alán Aspuru-Guzik

Quantum neural networks have emerged as promising quantum machine learning models, leveraging the properties of quantum systems and classical optimization to solve complex problems in physics and beyond. However, previous studies have…

Quantum Physics · Physics 2025-06-17 Mingrui Jing , Erdong Huang , Xiao Shi , Shengyu Zhang , Xin Wang

Physical reservoir computing provides a powerful machine learning paradigm that exploits nonlinear physical dynamics for efficient information processing. By incorporating quantum effects, quantum reservoir computing offers superior…

Quantum Physics · Physics 2026-03-27 Yanjun Hou , Juncheng Hua , Ze Wu , Wei Xia , Yuquan Chen , Xiaopeng Li , Zhaokai Li , Xinhua Peng , Jiangfeng Du

Learning dynamical models from data plays a vital role in engineering design, optimization, and predictions. Building models describing dynamics of complex processes (e.g., weather dynamics, or reactive flows) using empirical knowledge or…

Machine Learning · Computer Science 2024-09-21 Pawan Goyal , Peter Benner

Data-driven control algorithms use observations of system dynamics to construct an implicit model for the purpose of control. However, in practice, data-driven techniques often require excessive sample sizes, which may be infeasible in…

Systems and Control · Electrical Eng. & Systems 2023-01-10 Adam J. Thorpe , Cyrus Neary , Franck Djeumou , Meeko M. K. Oishi , Ufuk Topcu

Neural PDE solvers offer a powerful tool for modeling complex dynamical systems, but often struggle with error accumulation over long time horizons and maintaining stability and physical consistency. We introduce a multiscale implicit…

Machine Learning · Computer Science 2025-06-06 Ruoxi Jiang , Xiao Zhang , Karan Jakhar , Peter Y. Lu , Pedram Hassanzadeh , Michael Maire , Rebecca Willett

Point defects in solid-state materials are now routinely simulated using large supercell structures, requiring efficient quantum mechanical solutions. Data-driven and machine learning (ML) models trained on computational data can enable…

Materials Science · Physics 2026-05-26 Arun Mannodi-Kanakkithodi , Menglin Huang , Prashun Gorai , Seán R. Kavanagh

Quantum computing promises to speed up some of the most challenging problems in science and engineering. Quantum algorithms have been proposed showing theoretical advantages in applications ranging from chemistry to logistics optimization.…

Quantum Physics · Physics 2021-11-12 Niklas Heim , Atiyo Ghosh , Oleksandr Kyriienko , Vincent E. Elfving

The machine learning approaches are applied in the dynamical simulation of open quantum systems. The long short-term memory recurrent neural network (LSTM-RNN) models are used to simulate the long-time quantum dynamics, which are built…

Quantum Physics · Physics 2022-05-10 Kunni Lin , Jiawei Peng , Chao Xu , Feng Long Gu , Zhenggang Lan

The ability to perform ab initio molecular dynamics simulations using potential energies calculated on quantum computers would allow virtually exact dynamics for chemical and biochemical systems, with substantial impacts on the fields of…

Accurately solving high-dimensional partial differential equations (PDEs) remains a central challenge in computational mathematics. Traditional numerical methods, while effective in low-dimensional settings or on coarse grids, often…

Numerical Analysis · Mathematics 2025-05-26 Lucas Arenstein , Martin Mikkelsen , Michael Kastoryano

This paper reports a novel method for supervised machine learning based on the mathematical formalism that supports quantum mechanics. The method uses projective quantum measurement as a way of building a prediction function. Specifically,…

Quantum Physics · Physics 2022-08-30 Fabio A. González , Vladimir Vargas-Calderón , Herbert Vinck-Posada