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Machine learning (ML) has emerged into formidable force for identifying hidden but pertinent patterns within a given data set with the objective of subsequent generation of automated predictive behavior. In the recent years, it is safe to…

This study investigates why physics-informed machine learning (PIML) can fail in macroscopic traffic flow modeling. We define failure as cases where a PIML model underperforms both purely data-driven and purely physics-based baselines by a…

Machine Learning · Computer Science 2025-09-16 Yuan-Zheng Lei , Yaobang Gong , Dianwei Chen , Yao Cheng , Xianfeng Terry Yang

Complex optimal design and control processes often require repeated evaluations of expensive objective functions and consist of large design spaces. Data-driven surrogates such as neural networks and Gaussian processes provide an attractive…

Computational Engineering, Finance, and Science · Computer Science 2023-07-10 Manaswin Oddiraju , Divyang Amin , Michael Piedmonte , Souma Chowdhury

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

This study presents a broad perspective of hybrid process modeling and optimization combining the scientific knowledge and data analytics in bioprocessing and chemical engineering with a science-guided machine learning (SGML) approach. We…

Machine Learning · Computer Science 2022-01-26 Niket Sharma , Y. A. Liu

Mathematical modeling of lithium-ion batteries (LiBs) is a central challenge in advanced battery management. This paper presents a new approach to integrate a physics-based model with machine learning to achieve high-precision modeling for…

Systems and Control · Electrical Eng. & Systems 2021-07-26 Hao Tu , Scott Moura , Huazhen Fang

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

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

Integrating physical inductive biases into machine learning can improve model generalizability. We generalize the successful paradigm of physics-informed learning (PIL) into a more general framework that also includes what we term…

Machine Learning · Computer Science 2021-09-29 Ziming Liu , Yunyue Chen , Yuanqi Du , Max Tegmark

A recent development in machine learning - physics-informed deep learning (PIDL) - presents unique advantages in transportation applications such as traffic state estimation. Consolidating the benefits of deep learning (DL) and the…

Machine Learning · Computer Science 2023-02-27 Archie J. Huang , Shaurya Agarwal

Machine learning is poised as a very powerful tool that can drastically improve our ability to carry out scientific research. However, many issues need to be addressed before this becomes a reality. This article focuses on one particular…

Computational Physics · Physics 2020-06-05 Weinan E , Jiequn Han , Linfeng Zhang

Machine learning (ML) is transforming all areas of science. The complex and time-consuming calculations in molecular simulations are particularly suitable for a machine learning revolution and have already been profoundly impacted by the…

Chemical Physics · Physics 2019-11-11 Frank Noé , Alexandre Tkatchenko , Klaus-Robert Müller , Cecilia Clementi

Scientific machine learning (SciML) represents a significant advancement in integrating machine learning (ML) with scientific methodologies. At the forefront of this development are Physics-Informed Neural Networks (PINNs), which offer a…

Machine Learning · Computer Science 2024-11-19 Reyhaneh Taj

Machine learning (ML) has emerged as a powerful tool for accelerating the computational design and production of materials. In materials science, ML has primarily supported large-scale discovery of novel compounds using first-principles…

Data-driven methods keep increasing their popularity in engineering applications, given the developments in data analysis techniques. Some of these approaches, such as Field Inversion Machine Learning (FIML), suggest correcting low-fidelity…

Computational Physics · Physics 2025-09-24 Levent Ugur , Beckett Y. Zhou

We demonstrate that embedding physics-driven constraints into machine learning process can dramatically improve accuracy and generalizability of the resulting model. Physics-informed learning is illustrated on the example of analysis of…

Computational Physics · Physics 2021-12-16 Abantika Ghosh , Mohannad Elhamod , Jie Bu , Wei-Cheng Lee , Anuj Karpatne , Viktor A Podolskiy

Modeling complex physical dynamics is a fundamental task in science and engineering. Traditional physics-based models are sample efficient, and interpretable but often rely on rigid assumptions. Furthermore, direct numerical approximation…

Machine Learning · Computer Science 2023-03-02 Rui Wang , Rose Yu

This paper proposes a cutting mechanics-based machine learning (CMML) modeling method to discover governing equations of machining dynamics. The main idea of CMML design is to integrate existing physics in cutting mechanics and unknown…

Machine Learning · Computer Science 2026-01-06 Alisa Ren , Mason Ma , Jiajie Wu , Jaydeep Karandikar , Chris Tyler , Tony Shi , Tony Schmitz

Deep learning has shown strong potential in modeling complex spatiotemporal dynamics. However, most existing methods depend on densely and uniformly sampled data, which is often unavailable in practice due to sensor and cost limitations. In…

Machine Learning · Computer Science 2025-12-16 Han Wan , Qi Wang , Yuan Mi , Rui Zhang , Hao Sun

Machine Learning (ML) has widely been used for modeling and predicting physical systems. These techniques offer high expressive power and good generalizability for interpolation within observed data sets. However, the disadvantage of…

Machine Learning · Statistics 2023-03-02 Omid Sedehi , Antonina M. Kosikova , Costas Papadimitriou , Lambros S. Katafygiotis