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The supervised machine learning (ML) approach is applied to realize the trajectory-based nonadiabatic dynamics within the framework of the symmetrical quasi-classical dynamics method based on the Meyer-Miller mapping Hamiltonian (MM-SQC).…

Quantum Physics · Physics 2022-07-13 Kunni Lin , Jiawei Peng , Chao Xu , Feng Long Gu , Zhenggang Lan

This work introduces a new approach for accelerating the numerical analysis of time-domain partial differential equations (PDEs) governing complex physical systems. The methodology is based on a combination of a classical reduced-order…

Machine Learning · Computer Science 2024-06-06 Victor Matray , Faisal Amlani , Frédéric Feyel , David Néron

This work introduces Physics-informed State-space neural network Models (PSMs), a novel solution to achieving real-time optimization, flexibility, and fault tolerance in autonomous systems, particularly in transport-dominated systems such…

Machine Learning · Computer Science 2024-08-21 Akshay J. Dave , Richard B. Vilim

Constitutive and closure models play important roles in computational mechanics and computational physics in general. Classical constitutive models for solid and fluid materials are typically local, algebraic equations or flow rules…

Fluid Dynamics · Physics 2021-06-16 Xu-Hui Zhou , Jiequn Han , Heng Xiao

This paper addresses the data-driven identification of latent dynamical representations of partially-observed systems, i.e., dynamical systems for which some components are never observed, with an emphasis on forecasting applications,…

In this paper, we consider the problem of learning prediction models for spatiotemporal physical processes driven by unknown partial differential equations (PDEs). We propose a deep learning framework that learns the underlying dynamics and…

Machine Learning · Statistics 2021-05-04 Priyabrata Saha , Saibal Mukhopadhyay

In this work, we present the novel mathematical framework of latent dynamics models (LDMs) for reduced order modeling of parameterized nonlinear time-dependent PDEs. Our framework casts this latter task as a nonlinear dimensionality…

Numerical Analysis · Mathematics 2024-12-02 Nicola Farenga , Stefania Fresca , Simone Brivio , Andrea Manzoni

Statistical (machine learning) tools for equation discovery require large amounts of data that are typically computer generated rather than experimentally observed. Multiscale modeling and stochastic simulations are two areas where learning…

Machine Learning · Statistics 2021-03-17 Joseph Bakarji , Daniel M. Tartakovsky

A physics-informed neural network (PINN) models the dynamics of a system by integrating the governing physical laws into the architecture of a neural network. By enforcing physical laws as constraints, PINN overcomes challenges with data…

Machine Learning · Computer Science 2025-04-23 Pengtao Dang , Tingbo Guo , Melissa Fishel , Guang Lin , Wenzhuo Wu , Sha Cao , Chi Zhang

Machine learning (ML) tools such as encoder-decoder deep convolutional neural networks (CNN) are able to extract relationships between inputs and outputs of large complex systems directly from raw data. For time-varying systems the…

Accelerator Physics · Physics 2021-03-25 Alexander Scheinker , Frederick Cropp , Sergio Paiagua , Daniele Filippetto

In many scientific disciplines, we are interested in inferring the nonlinear dynamical system underlying a set of observed time series, a challenging task in the face of chaotic behavior and noise. Previous deep learning approaches toward…

Machine Learning · Computer Science 2022-07-07 Manuel Brenner , Florian Hess , Jonas M. Mikhaeil , Leonard Bereska , Zahra Monfared , Po-Chen Kuo , Daniel Durstewitz

Recent years have witnessed a growth in mathematics for deep learning--which seeks a deeper understanding of the concepts of deep learning with mathematics and explores how to make it more robust--and deep learning for mathematics, where…

Machine Learning · Computer Science 2023-10-31 Derick Nganyu Tanyu , Jianfeng Ning , Tom Freudenberg , Nick Heilenkötter , Andreas Rademacher , Uwe Iben , Peter Maass

Substitution of well-grounded theoretical models by data-driven predictions is not as simple in engineering and sciences as it is in social and economic fields. Scientific problems suffer most times from paucity of data, while they may…

Machine Learning · Computer Science 2020-11-18 Jacobo Ayensa-Jiménez , Mohamed H. Doweidar , Jose Antonio Sanz-Herrera , Manuel Doblaré

As function approximators, deep neural networks have served as an effective tool to represent various signal types. Recent approaches utilize multi-layer perceptrons (MLPs) to learn a nonlinear mapping from a coordinate to its corresponding…

Machine Learning · Computer Science 2025-06-12 Woojin Cho , Minju Jo , Kookjin Lee , Noseong Park

Microstructural evolution is a key aspect of understanding and exploiting the structure-property-performance relation of materials. Modeling microstructure evolution usually relies on coarse-grained simulations with evolution principles…

Materials Science · Physics 2020-09-01 Kaiqi Yang , Yifan Cao , Youtian Zhang , Ming Tang , Daniel Aberg , Babak Sadigh , Fei Zhou

As global climate change intensifies, accurate weather forecasting has become increasingly important, affecting agriculture, energy management, environmental protection, and daily life. This study introduces a hybrid model combining…

Machine Learning · Computer Science 2024-10-22 Yuhao Gong , Yuchen Zhang , Fei Wang , Chi-Han Lee

Evolutional deep neural networks (EDNN) solve partial differential equations (PDEs) by marching the network representation of the solution fields, using the governing equations. Use of a single network to solve coupled PDEs on large domains…

Numerical Analysis · Mathematics 2024-07-18 Hadden Kim , Tamer A. Zaki

Data-driven discovery of partial differential equations (PDEs) has achieved considerable development in recent years. Several aspects of problems have been resolved by sparse regression-based and neural network-based methods. However, the…

Machine Learning · Computer Science 2021-09-29 Hao Xu , Dongxiao Zhang

Data fields sampled on irregularly spaced points arise in many applications in the sciences and engineering. For regular grids, Convolutional Neural Networks (CNNs) have been successfully used to gaining benefits from weight sharing and…

Machine Learning · Computer Science 2023-02-28 Nathaniel Trask , Ravi G. Patel , Ben J. Gross , Paul J. Atzberger

A Hyperspectral image contains much more number of channels as compared to a RGB image, hence containing more information about entities within the image. The convolutional neural network (CNN) and the Multi-Layer Perceptron (MLP) have been…

Computer Vision and Pattern Recognition · Computer Science 2023-04-11 Uphar Singh , Kumar Saurabh , Neelaksh Trehan , Ranjana Vyas , O. P. Vyas
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