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Recent advances in scientific machine learning (SciML) have enabled neural operators (NOs) to serve as powerful surrogates for modeling the dynamic evolution of physical systems governed by partial differential equations (PDEs). While…

Machine Learning · Computer Science 2026-02-18 Siying Ma , Mehrdad M. Zadeh , Mauricio Soroco , Wuyang Chen , Jiguo Cao , Vijay Ganesh

Physics-informed machine learning (PIML) is crucial in modern traffic flow modeling because it combines the benefits of both physics-based and data-driven approaches. In conventional PIML, physical information is typically incorporated by…

Machine Learning · Computer Science 2025-09-23 Yuan-Zheng Lei , Yaobang Gong , Dianwei Chen , Yao Cheng , Xianfeng Terry Yang

The use of machine learning in Structural Health Monitoring is becoming more common, as many of the inherent tasks (such as regression and classification) in developing condition-based assessment fall naturally into its remit. This chapter…

Machine Learning · Computer Science 2022-07-01 Elizabeth J Cross , Samuel J Gibson , Matthew R Jones , Daniel J Pitchforth , Sikai Zhang , Timothy J Rogers

In recent years, deep learning techniques have made significant strides in molecular generation for specific targets, driving advancements in drug discovery. However, existing molecular generation methods present significant limitations:…

Machine Learning · Computer Science 2025-03-12 Taojie Kuang , Qianli Ma , Athanasios V. Vasilakos , Yu Wang , Qiang , Cheng , Zhixiang Ren

Physics-informed machine learning (PIML) represents an emerging paradigm that integrates various forms of physical knowledge into machine learning (ML) components, thereby enhancing the physical consistency of ML models compared to purely…

Chemical Physics · Physics 2025-10-28 Jiahao Wu , Xutun Wang , Guihua Zhang , Jiayue Liu , Xin Li , Yang Zhang , Hai Zhang , Junfu Lyu , Bing Wang , Yuxin Wu

Physics-based models of dynamical systems are often used to study engineering and environmental systems. Despite their extensive use, these models have several well-known limitations due to simplified representations of the physical…

Machine Learning · Computer Science 2020-09-15 Xiaowei Jia , Jared Willard , Anuj Karpatne , Jordan S Read , Jacob A Zwart , Michael Steinbach , Vipin Kumar

We introduce a machine-learning (ML) framework for high-throughput benchmarking of diverse representations of chemical systems against datasets of materials and molecules. The guiding principle underlying the benchmarking approach is to…

Machine Learning · Computer Science 2021-12-07 Carl Poelking , Felix A. Faber , Bingqing Cheng

Physics-based simulations are often used to model and understand complex physical systems and processes in domains like fluid dynamics. Such simulations, although used frequently, have many limitations which could arise either due to the…

Machine Learning · Computer Science 2019-11-12 Nikhil Muralidhar , Jie Bu , Ze Cao , Long He , Naren Ramakrishnan , Danesh Tafti , Anuj Karpatne

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 Deep Material Network (DMN) has emerged as a powerful framework for multiscale materials modeling, enabling efficient and accurate prediction of material behavior across different length scales. Unlike conventional data-driven…

Computational Engineering, Finance, and Science · Computer Science 2026-03-23 Ting-Ju Wei , Wen-Ning Wan , Chuin-Shan Chen

Deep Material Network (DMN) has recently emerged as a data-driven surrogate model for heterogeneous materials. Given a particular microstructural morphology, the effective linear and nonlinear behaviors can be successfully approximated by…

Computational Engineering, Finance, and Science · Computer Science 2023-12-15 Tianyi Li

Musculoskeletal models have been widely used for detailed biomechanical analysis to characterise various functional impairments given their ability to estimate movement variables (i.e., muscle forces and joint moment) which cannot be…

Signal Processing · Electrical Eng. & Systems 2022-07-05 Jie Zhang , Yihui Zhao , Fergus Shone , Zhenhong Li , Alejandro F. Frangi , Shengquan Xie , Zhiqiang Zhang

Artificial Intelligence models encoding biology and chemistry are opening new routes to high-throughput and high-quality in-silico drug development. However, their training increasingly relies on computational scale, with recent protein…

Machine Learning · Computer Science 2025-09-10 Peter St. John , Dejun Lin , Polina Binder , Malcolm Greaves , Vega Shah , John St. John , Adrian Lange , Patrick Hsu , Rajesh Illango , Arvind Ramanathan , Anima Anandkumar , David H Brookes , Akosua Busia , Abhishaike Mahajan , Stephen Malina , Neha Prasad , Sam Sinai , Lindsay Edwards , Thomas Gaudelet , Cristian Regep , Martin Steinegger , Burkhard Rost , Alexander Brace , Kyle Hippe , Luca Naef , Keisuke Kamata , George Armstrong , Kevin Boyd , Zhonglin Cao , Han-Yi Chou , Simon Chu , Allan dos Santos Costa , Sajad Darabi , Eric Dawson , Kieran Didi , Cong Fu , Mario Geiger , Michelle Gill , Darren J Hsu , Gagan Kaushik , Maria Korshunova , Steven Kothen-Hill , Youhan Lee , Meng Liu , Micha Livne , Zachary McClure , Jonathan Mitchell , Alireza Moradzadeh , Ohad Mosafi , Youssef Nashed , Saee Paliwal , Yuxing Peng , Sara Rabhi , Farhad Ramezanghorbani , Danny Reidenbach , Camir Ricketts , Brian C Roland , Kushal Shah , Tyler Shimko , Hassan Sirelkhatim , Savitha Srinivasan , Abraham C Stern , Dorota Toczydlowska , Srimukh Prasad Veccham , Niccolò Alberto Elia Venanzi , Anton Vorontsov , Jared Wilber , Isabel Wilkinson , Wei Jing Wong , Eva Xue , Cory Ye , Xin Yu , Yang Zhang , Guoqing Zhou , Becca Zandstein , Alejandro Chacon , Prashant Sohani , Maximilian Stadler , Christian Hundt , Feiwen Zhu , Christian Dallago , Bruno Trentini , Emine Kucukbenli , Saee Paliwal , Timur Rvachov , Eddie Calleja , Johnny Israeli , Harry Clifford , Risto Haukioja , Nicholas Haemel , Kyle Tretina , Neha Tadimeti , Anthony B Costa

Car-following behavior has been extensively studied using physics-based models, such as the Intelligent Driver Model. These models successfully interpret traffic phenomena observed in the real-world but may not fully capture the complex…

Machine Learning · Computer Science 2021-07-15 Zhaobin Mo , Xuan Di , Rongye Shi

Continuous monitoring of blood pressure (BP) and hemodynamic parameters such as peripheral resistance (R) and arterial compliance (C) are critical for early vascular dysfunction detection. While photoplethysmography (PPG) wearables has…

Medical Physics · Physics 2025-12-12 Yaowen Zhang , Libera Fresiello , Peter H. Veltink , Dirk W. Donker , Ying Wang

Autonomous aerial vehicles necessitate control strategies that balance computational efficiency with robust performance in dynamic operational environments. This paper proposes a model predictive control (MPC) framework for aerial platforms…

Systems and Control · Electrical Eng. & Systems 2026-05-25 Tayyab Manzoor , Yasir Ali , Yuanqing Xia , Lijie You , Yan Wang

The physics-based modeling has been the workhorse for many decades in many scientific and engineering applications ranging from wind power, weather forecasting, and aircraft design. Recently, data-driven models are increasingly becoming…

Computational Physics · Physics 2021-01-18 Suraj Pawar , Shady E. Ahmed , Omer San , Adil Rasheed

Modern machine learning systems based on neural networks have shown great success in learning complex data patterns while being able to make good predictions on unseen data points. However, the limited interpretability of these systems…

Machine Learning · Computer Science 2020-07-22 Sarath Shekkizhar , Antonio Ortega

This study presents a comprehensive overview of PIML techniques in the context of condition monitoring. The central concept driving PIML is the incorporation of known physical laws and constraints into machine learning algorithms, enabling…

Machine Learning · Computer Science 2024-01-23 Yuandi Wu , Brett Sicard , Stephen Andrew Gadsden

Modeling biological sequences such as DNA, RNA, and proteins is crucial for understanding complex processes like gene regulation and protein synthesis. However, most current models either focus on a single type or treat multiple types of…

Genomics · Quantitative Biology 2024-10-16 Weixi Xiang , Xueting Han , Xiujuan Chai , Jing Bai
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