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Machine learning (ML) methods are being used in almost every conceivable area of electronic structure theory and molecular simulation. In particular, ML has become firmly established in the construction of high-dimensional interatomic…

Chemical Physics · Physics 2021-06-22 Julia Westermayr , Michael Gastegger , Kristof T. Schütt , Reinhard J. Maurer

In this paper, we propose a probabilistic physics-guided framework, termed Physics-guided Deep Markov Model (PgDMM). The framework targets the inference of the characteristics and latent structure of nonlinear dynamical systems from…

Machine Learning · Computer Science 2022-05-26 Wei Liu , Zhilu Lai , Kiran Bacsa , Eleni Chatzi

Machine learning is rapidly making its pathway across all of the natural sciences, including physical sciences. The rate at which ML is impacting non-scientific disciplines is incomparable to that in the physical sciences. This is partly…

Machine Learning · Computer Science 2025-02-26 Nour Makke , Sanjay Chawla

Machine Learning (ML) is one of the most exciting and dynamic areas of modern research and application. The purpose of this review is to provide an introduction to the core concepts and tools of machine learning in a manner easily…

Physics informed neural networks (PINNs) have recently been proposed as surrogate models for solving process optimization problems. However, in an active learning setting collecting enough data for reliably training PINNs poses a challenge.…

Systems and Control · Electrical Eng. & Systems 2024-02-22 Liqiu Dong , Marta Zagorowska , Tong Liu , Alex Durkin , Mehmet Mercangöz

Model-based reinforcement learning (MBRL) is believed to have much higher sample efficiency compared to model-free algorithms by learning a predictive model of the environment. However, the performance of MBRL highly relies on the quality…

Machine Learning · Computer Science 2022-11-16 Xin-Yang Liu , Jian-Xun Wang

Dusty plasma is a mixture of ions, electrons, and macroscopic charged particles that is commonly found in space and planetary environments. The particles interact through Coulomb forces mediated by the surrounding plasma, and as a result,…

Plasma Physics · Physics 2025-04-11 Wentao Yu , Eslam Abdelaleem , Ilya Nemenman , Justin C. Burton

The rapid development of machine learning (ML) methods has fundamentally affected numerous applications ranging from computer vision, biology, and medicine to accounting and text analytics. Until now, it was the availability of large and…

Data Analysis, Statistics and Probability · Physics 2022-04-12 Sergei V. Kalinin , Maxim Ziatdinov , Bobby G. Sumpter , Andrew D. White

Recently, physics informed neural networks (PINNs) have been explored extensively for solving various forward and inverse problems and facilitating querying applications in fluid mechanics applications. However, work on PINNs for unsteady…

Fluid Dynamics · Physics 2024-02-28 Rahul Sundar , Dipanjan Majumdar , Didier Lucor , Sunetra Sarkar

This paper introduces an innovative physics-informed deep learning framework for metamodeling of nonlinear structural systems with scarce data. The basic concept is to incorporate physics knowledge (e.g., laws of physics, scientific…

Computational Engineering, Finance, and Science · Computer Science 2020-07-15 Ruiyang Zhang , Yang Liu , Hao Sun

Discovering the unknown governing equations of grid-connected inverters from external measurements holds significant attraction for analyzing modern inverter-intensive power systems. However, existing methods struggle to balance the…

Systems and Control · Electrical Eng. & Systems 2026-02-19 Jialin Zheng , Ruhaan Batta , Zhong Liu , Xiaonan Lu

Electromagnetic (EM) imaging is widely applied in sensing for security, biomedicine, geophysics, and various industries. It is an ill-posed inverse problem whose solution is usually computationally expensive. Machine learning (ML)…

Computational Physics · Physics 2022-07-27 Rui Guo , Tianyao Huang , Maokun Li , Haiyang Zhang , Yonina C. Eldar

There has been rapid progress recently on the application of deep networks to the solution of partial differential equations, collectively labelled as Physics Informed Neural Networks (PINNs). In this paper, we develop Physics Informed…

Machine Learning · Computer Science 2019-07-09 Vikas Dwivedi , Balaji Srinivasan

Physics-Infused Machine Learning (PIML) architectures aim at integrating machine learning with computationally-efficient, low-fidelity (partial) physics models, leading to improved generalizability, extrapolability, and robustness to noise,…

Computational Engineering, Finance, and Science · Computer Science 2022-01-19 Rayhaan Iqbal , Amir Behjat , Revant Adlakha , Jesse Callanan , Mostafa Nouh , Souma Chowdhury

Dynamical systems that evolve continuously over time are ubiquitous throughout science and engineering. Machine learning (ML) provides data-driven approaches to model and predict the dynamics of such systems. A core issue with this approach…

Machine Learning · Computer Science 2023-11-23 Aditi S. Krishnapriyan , Alejandro F. Queiruga , N. Benjamin Erichson , Michael W. Mahoney

Accurately predicting fluid dynamics and evolution has been a long-standing challenge in physical sciences. Conventional deep learning methods often rely on the nonlinear modeling capabilities of neural networks to establish mappings…

Machine Learning · Computer Science 2025-04-09 Huaguan Chen , Yang Liu , Hao Sun

Machine learning encompasses a set of tools and algorithms which are now becoming popular in almost all scientific and technological fields. This is true for molecular dynamics as well, where machine learning offers promises of extracting…

Physics-informed neural networks (PINNs) effectively embed physical principles into machine learning, but often struggle with complex or alternating geometries. We propose a novel method for integrating geometric transformations within…

Machine Learning · Computer Science 2023-11-30 Samuel Burbulla

Molecular dynamics (MD) has become a powerful tool for studying biophysical systems, due to increasing computational power and availability of software. Although MD has made many contributions to better understanding these complex…

Computational Physics · Physics 2019-09-27 Yihang Wang , Joao Marcelo Lamim Ribeiro , Pratyush Tiwary

Recent applications of machine learning, in particular deep learning, motivate the need to address the generalizability of the statistical inference approaches in physical sciences. In this letter, we introduce a modular physics guided…

Machine Learning · Computer Science 2021-02-03 Suraj Pawar , Omer San , Burak Aksoylu , Adil Rasheed , Trond Kvamsdal