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In chemical engineering, process data are expensive to acquire, and complex phenomena are difficult to fully model. We explore the use of physics-informed neural networks (PINNs) for modeling dynamic processes with incomplete mechanistic…

Machine Learning · Computer Science 2024-10-01 Mehmet Velioglu , Song Zhai , Sophia Rupprecht , Alexander Mitsos , Andreas Jupke , Manuel Dahmen

Aqueous hydrolysis is used to chemically recycle polyethylene terephthalate (PET) due to the production of high-quality terephthalic acid (TPA), the PET monomer. PET hydrolysis depends on various reaction conditions including PET size,…

Machine Learning · Computer Science 2022-02-01 Hossein Abedsoltan , Zeinab Zoghi , Amir H. Mohammadi

There has been a veritable explosion of methods and software to perform machine-learned regression on datasets of electronic energies and forces to develop high-dimensional machine learned potential energy surfaces (ML-PESs). A major, but…

We tackle the challenge of predicting vibrational stability in inorganic semiconductors for high-throughput screening, an essential attribute for evaluating synthesizability alongside thermodynamic stability, frequently missing in prominent…

Materials Science · Physics 2025-12-29 M. H. Zeb , M. Z. Kabir

Physics-Informed Neural Networks (PINNs) solve partial differential equations (PDEs) by embedding governing equations and boundary/initial conditions into the loss function. However, enforcing Dirichlet boundary conditions accurately…

Machine Learning · Computer Science 2025-01-15 Nahil Sobh , Rini Jasmine Gladstone , Hadi Meidani

We propose a self-supervised physics-informed neural network (PINN) framework that adaptively balances physics-based and data-driven supervision for scientific machine learning under data scarcity. Unlike prior PINNs that rely on fixed or…

Machine Learning · Computer Science 2026-05-08 Reza Pirayeshshirazinezhad

Accurate and efficient simulations of physical phenomena governed by partial differential equations (PDEs) are important for scientific and engineering progress. While traditional numerical solvers are powerful, they are often…

Machine Learning · Computer Science 2025-11-13 Can Yang , Zhenzhong Wang , Junyuan Liu , Yunpeng Gong , Min Jiang

3\b{eta}-O-phthalic ester of betulinic acid is of great importance in anticancer studies. However, the optimization of its reaction conditions requires a large number of experimental works. To simplify the number of times of optimization in…

Machine Learning · Computer Science 2015-11-13 Run Wang , Qiaoli Mo , Qian Zhang , Fudi Chen , Dazuo Yang

This study investigates whether Physically Recurrent Neural Networks (PRNNs), a recent surrogate model for heterogeneous materials, trained on a micromodel with fixed material parameters, can maintain accuracy for varying material…

Disordered Systems and Neural Networks · Physics 2025-04-17 N. Kovács , I. B. C. M. Rocha , F. P. van der Meer , C. Furtado , P. P. Camanho

Physics-Informed Neural Networks (PINNs) are machine learning tools that approximate the solution of general partial differential equations (PDEs) by adding them in some form as terms of the loss/cost function of a Neural Network. Most…

Numerical Analysis · Mathematics 2022-08-29 Antonio Tadeu Azevedo Gomes , Larissa Miguez da Silva , Frederic Valentin

Evaluating the mechanical response of fiber-reinforced composites can be extremely time consuming and expensive. Machine learning (ML) techniques offer a means for faster predictions via models trained on existing input-output pairs and…

Materials Science · Physics 2024-10-03 Yixuan Sun , Imad Hanhan , Michael D. Sangid , Guang Lin

Physics-informed neural networks (PINNs) offer a novel AI-driven framework for integrating physical laws directly into neural network models, facilitating the solution of complex multiphysics problems in materials engineering. This study…

Materials Science · Physics 2025-10-14 Mohid Farooqi , Ingmar Bösing , Conrard G. Tetsassi Feugmo

Characterizing the temperature-dependent thermal conductivity is challenging because the property varies strongly with temperature and reliable heat flow measurement, not just temperature sensing, is difficult under experimental conditions.…

Computational Physics · Physics 2025-10-21 Hyeonbin Moon , Hanbin Cho , Wabi Demeke , Byungki Ryu , Seunghwa Ryu

This paper presents a physics-informed neural network (PINN) approach for monitoring the health of diesel engines. The aim is to evaluate the engine dynamics, identify unknown parameters in a "mean value" model, and anticipate maintenance…

Machine Learning · Computer Science 2023-08-29 Kamaljyoti Nath , Xuhui Meng , Daniel J Smith , George Em Karniadakis

Traditional numerical methods often struggle with the complexity and scale of modeling pollutant transport across vast and dynamic oceanic domains. This paper introduces a Physics-Informed Neural Network (PINN) framework to simulate the…

Machine Learning · Computer Science 2025-07-15 Karishma Battina , Prathamesh Dinesh Joshi , Raj Abhijit Dandekar , Rajat Dandekar , Sreedath Panat

In this research, the application of the Physics-Informed Neural Network (PINN) model is explored to solve transport equation-based Partial Differential Equations (PDEs). The primary objective is to analyze the impact of different…

Machine Learning · Computer Science 2023-12-04 Akshansh Mishra

Physics-Informed Neural Networks (PINNs) have received increased interest for forward, inverse, and surrogate modeling of problems described by partial differential equations (PDE). However, their application to multiphysics problem,…

Machine Learning · Computer Science 2022-09-09 Danial Amini , Ehsan Haghighat , Ruben Juanes

The carbon pump of the world's ocean plays a vital role in the biosphere and climate of the earth, urging improved understanding of the functions and influences of the ocean for climate change analyses. State-of-the-art techniques are…

Machine Learning · Computer Science 2021-07-23 Taco de Wolff , Hugo Carrillo , Luis Martí , Nayat Sanchez-Pi

Simulations of chemical reaction probabilities in gas surface dynamics require the calculation of ensemble averages over many tens of thousands of reaction events to predict dynamical observables that can be compared to experiments. At the…

In this paper, we propose to predict the physics parameters of real fabrics and garments by learning their physics similarities between simulated fabrics via a Physics Similarity Network (PhySNet). For this, we estimate wind speeds…

Computer Vision and Pattern Recognition · Computer Science 2021-12-21 Li Duan , Lewis Boyd , Gerardo Aragon-Camarasa
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