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``$\Delta$-machine learning" refers to a machine learning approach to bring a property such as a potential energy surface (PES) based on low-level (LL) density functional theory (DFT) energies and gradients to close to a coupled cluster…

Chemical Physics · Physics 2021-05-21 Apurba Nandi , Chen Qu , Paul Houston , Riccardo Conte , Joel M. Bowman

Hydrogen-based multi-energy systems (HMES) have emerged as a promising low-carbon and energy-efficient solution, as it can enable the coordinated operation of electricity, heating and cooling supply and demand to enhance operational…

Machine Learning · Computer Science 2026-02-03 Zhenyu Pu , Yu Yang , Lun Yang , Qing-Shan Jia , Xiaohong Guan , Costas J. Spanos

Thermal multi-phase flow simulations are indispensable to understanding the multi-scale and multi-physics phenomena in metal additive manufacturing (AM) processes, yet accurate and robust predictions remain challenging. This book chapter…

Computational Engineering, Finance, and Science · Computer Science 2022-06-13 Jinhui Yan , Qiming Zhu , Ze Zhao

Federated learning (FedL) has emerged as a popular technique for distributing model training over a set of wireless devices, via iterative local updates (at devices) and global aggregations (at the server). In this paper, we develop…

Soil moisture is a crucial hydrological state variable that has significant importance to the global environment and agriculture. Precise monitoring of soil moisture in crop fields is critical to reducing agricultural drought and improving…

Signal Processing · Electrical Eng. & Systems 2024-03-13 Jianxin Xie , Bing Yao , Zheyu Jiang

Innovation in the physical layer of communication systems has traditionally been achieved by breaking down the transceivers into sets of processing blocks, each optimized independently based on mathematical models. Conversely, deep learning…

Information Theory · Computer Science 2022-05-04 Mathieu Goutay

Accurately, efficiently, and stably computing complex fluid flows and their evolution near solid boundaries over long horizons remains challenging. Conventional numerical solvers require fine grids and small time steps to resolve near-wall…

Machine Learning · Computer Science 2026-03-18 Chenglin Li , Hang Xu , Jianting Chen , Yanfei Zhang

Most environmental data come from a minority of well-monitored sites. An ongoing challenge in the environmental sciences is transferring knowledge from monitored sites to unmonitored sites. Here, we demonstrate a novel transfer learning…

Machine Learning · Computer Science 2021-08-11 Jared D. Willard , Jordan S. Read , Alison P. Appling , Samantha K. Oliver , Xiaowei Jia , Vipin Kumar

We compare the predicted phase behaviour of lead (Pb) using three different interatomic potential models, including an embedded atom method (EAM), a modified embedded atom method (MEAM), and a neural network-based machine-learned model in…

Physics-guided machine learning (PGML) has become a prevalent approach in studying scientific systems due to its ability to integrate scientific theories for enhancing machine learning (ML) models. However, most PGML approaches are tailored…

Machine Learning · Computer Science 2025-02-11 Runlong Yu , Chonghao Qiu , Robert Ladwig , Paul Hanson , Yiqun Xie , Xiaowei Jia

As an emerging technology in deep learning, physics-informed neural networks (PINNs) have been widely used to solve various partial differential equations (PDEs) in engineering. However, PDEs based on practical considerations contain…

Machine Learning · Computer Science 2021-11-11 Yuhao Huang

Accurate long-horizon prediction of spatiotemporal fields on complex geometries is a fundamental challenge in scientific machine learning, with applications such as additive manufacturing where temperature histories govern defect formation…

Machine Learning · Computer Science 2026-02-23 Lionel Salesses , Larbi Arbaoui , Tariq Benamara , Arnaud Francois , Caroline Sainvitu

Physics-informed neural networks (PINNs) in energy form, also known as the deep energy method (DEM), offer advantages over strong-form PINNs such as lower-order derivatives and fewer hyperparameters, yet dedicated and user-friendly software…

Numerical Analysis · Mathematics 2026-02-10 Yizheng Wang , Cosmin Anitescu , Mohammad Sadegh Eshaghi , Xiaoying Zhuang , Timon Rabczuk , Yinghua Liu

This work presents a high-fidelity computational fluid dynamics (CFD) and data-driven modeling framework for assembly-level flow characterization in a four-loop pressurized water reactor (PWR). A full lower-plenum and core-inlet domain was…

Fluid flow through layered materials with different wetting behavior is observed in a wide range of applications in biological, environmental and technical systems. Therefore, it is necessary to understand the occuring transport mechanisms…

Fluid Dynamics · Physics 2022-02-01 Cynthia Michalkowski , Kilian Weishaupt , Veronika Schleper , Rainer Helmig

Recently, physics-driven deep learning methods have shown particular promise for the prediction of physical fields, especially to reduce the dependency on large amounts of pre-computed training data. In this work, we target the…

Fluid Dynamics · Physics 2022-10-12 Hao Ma , Yuxuan Zhang , Nils Thuerey , Xiangyu Hu , Oskar J. Haidn

In recent years, Deep-Learning Earth System Models (DL-ESMs) have emerged as promising, computationally efficient complements to traditional Earth system models. Here, we present an evaluation framework for testing DL-ESMs from a…

Atmospheric and Oceanic Physics · Physics 2026-05-20 Giuliana Pallotta , Shiheng Duan , Céline Bonfils , Jiwoo Lee , Seth Goodnight , Paul Ullrich

Accurate prediction of physical fields is critical in various engineering applications, including thermal management in electronic systems, airfoil shape optimization in aerospace, and flow field control in hypersonic vehicles. This study…

Fluid Dynamics · Physics 2026-03-12 Yuan Jia , Chi Zhang , Hao Ma , Qiao Zhang , Kai Liu , Chih-Yung Wen

High-fidelity modeling of turbulent flows is one of the major challenges in computational physics, with diverse applications in engineering, earth sciences and astrophysics, among many others. The rising popularity of high-fidelity…

Fluid Dynamics · Physics 2019-03-06 Arvind Mohan , Don Daniel , Michael Chertkov , Daniel Livescu

One of the main questions regarding complex systems at large scales concerns the effective interactions and driving forces that emerge from the detailed microscopic properties. Coarse-grained models aim to describe complex systems in terms…

Computational Physics · Physics 2022-12-21 Elham Kiyani , Steven Silber , Mahdi Kooshkbaghi , Mikko Karttunen