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We present a novel machine learning approach to understanding conformation dynamics of biomolecules. The approach combines kernel-based techniques that are popular in the machine learning community with transfer operator theory for…

Computational Physics · Physics 2019-01-24 Stefan Klus , Andreas Bittracher , Ingmar Schuster , Christof Schütte

As the key component that facilitates long-haul transmission in optical fiber communications by increasing capacity and reducing costs, accurate characterization and gain settings of erbium-doped fiber amplifiers (EDFAs) are essential for…

Optics · Physics 2025-02-24 Xiaotian Jiang , Jiawei Dong , Yuchen Song , Jin Li , Min Zhang , Danshi Wang

The advances in Artificial Intelligence (AI) and Machine Learning (ML) have opened up many avenues for scientific research, and are adding new dimensions to the process of knowledge creation. However, even the most powerful and versatile of…

Artificial Intelligence · Computer Science 2023-11-10 Jorawar Singh , Kishor Bharti , Arvind

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

Direct observations of earthquake nucleation and propagation are few and yet the next decade will likely see an unprecedented increase in indirect, surface observations that must be integrated into modeling efforts. Machine learning (ML)…

Mathematical Physics · Physics 2024-07-25 Cody Rucker , Brittany A. Erickson

We introduce a quantum-informed machine learning (QIML) framework for modelling the long-term behaviour of high-dimensional chaotic systems. QIML combines a one-time, offline-trained quantum generative model with a classical autoregressive…

Quantum Physics · Physics 2026-04-27 Maida Wang , Xiao Xue , Mingyang Gao , Peter V. Coveney

A physics-informed neural network is presented for poroelastic problems with coupled flow and deformation processes. The governing equilibrium and mass balance equations are discussed and specific derivations for two-dimensional cases are…

Computational Engineering, Finance, and Science · Computer Science 2020-10-30 Yared W. Bekele

Informed Machine Learning has emerged as a viable generalization of Machine Learning (ML) by building a unified conceptual and algorithmic setting for constructing models on a unified basis of knowledge and data. Physics-informed ML…

Machine Learning · Computer Science 2026-04-02 Chuyi Dai , Witold Pedrycz , Suping Xu , Ding Liu , Xianmin Wang

Science-based simulation tools such as Finite Element (FE) models are routinely used in scientific and engineering applications. While their success is strongly dependent on our understanding of underlying governing physical laws, they…

Machine Learning · Computer Science 2021-03-31 Navid Zobeiry , Anoush Poursartip

Modelling complex physical systems through partial differential equations (PDEs) is central to many disciplines in science and engineering. Yet in most real applications, unknown or incomplete relationships such as constitutive or thermal…

Computational Engineering, Finance, and Science · Computer Science 2026-01-08 Ado Farsi , Nacime Bouziani , David A Ham

Modeled Reynolds stress is a major source of model-form uncertainties in Reynolds-averaged Navier-Stokes (RANS) simulations. Recently, a physics-informed machine-learning (PIML) approach has been proposed for reconstructing the…

Fluid Dynamics · Physics 2021-07-23 Jian-Xun Wang , Junji Huang , Lian Duan , Heng Xiao

The development of biophysical models for clinical applications is rapidly advancing in the research community, thanks to their predictive nature and their ability to assist the interpretation of clinical data. However, high-resolution and…

Chemists in search of structure-property relationships face great challenges due to limited high quality, concordant datasets. Machine learning (ML) has significantly advanced predictive capabilities in chemical sciences, but these modern…

Machine Learning · Computer Science 2025-09-18 Yulia Pimonova , Michael G. Taylor , Alice Allen , Ping Yang , Nicholas Lubbers

Scientific machine learning (SciML) methods such as physics-informed neural networks (PINNs) are used to estimate parameters of interest from governing equations and small quantities of data. However, there has been little work in assessing…

Fluid Dynamics · Physics 2024-09-02 Alexander New , Marisel Villafañe-Delgado , Charles Shugert

We present our progress on the application of physics informed deep learning to reservoir simulation problems. The model is a neural network that is jointly trained to respect governing physical laws and match boundary conditions. The…

Fluid Dynamics · Physics 2021-04-26 Cedric Fraces Gasmi , Hamdi Tchelepi

The integration of Scientific Machine Learning (SciML) techniques with uncertainty quantification (UQ) represents a rapidly evolving frontier in computational science. This work advances Physics-Informed Neural Networks (PINNs) by…

Machine Learning · Statistics 2025-12-30 Georgios Arampatzis , Stylianos Katsarakis , Charalambos Makridakis

The inverse Stefan problem, as a typical phase-change problem with moving boundaries, finds extensive applications in science and engineering. Recent years have seen the applications of physics-informed neural networks (PINNs) to solving…

Machine Learning · Computer Science 2025-10-27 Pei-Zhi Zhuang , Ming-Yue Yang , Fei Ren , Hong-Ya Yue , He Yang

Understanding real-world dynamical phenomena remains a challenging task. Across various scientific disciplines, machine learning has advanced as the go-to technology to analyze nonlinear dynamical systems, identify patterns in big data, and…

Machine Learning · Computer Science 2022-12-07 Kevin Linka , Amelie Schafer , Xuhui Meng , Zongren Zou , George Em Karniadakis , Ellen Kuhl

High-throughput approximations of quantum mechanics calculations and combinatorial experiments have been traditionally used to reduce the search space of possible molecules, drugs and materials. However, the interplay of structural and…

Quantum Physics · Physics 2019-10-29 Alain Tchagang , Julio Valdés

Physics-informed neural networks (PINN) is a machine learning (ML)-based method to solve partial differential equations that has gained great popularity due to the fast development of ML libraries in the last few years. The…

Chemical Physics · Physics 2024-12-31 Martin A. Achondo , Jehanzeb H. Chaudhry , Christopher D. Cooper