English
Related papers

Related papers: Differentiable Chemistry in PINNs for Solving Para…

200 papers

The concepts and techniques of physics-informed neural networks (PINNs) is studied and limitations are identified to make it efficient to approximate dynamical equations. Potential working research domains are explored for increasing the…

Computational Physics · Physics 2023-01-13 Siddharth Rout

Physics-Informed Neural Networks (PINNs) represent a groundbreaking paradigm in scientific computing, seamlessly integrating the robust framework of deep learning with fundamental physical laws. This paper meticulously applies the standard…

Numerical Analysis · Mathematics 2026-01-19 Ahmed Aberqi , Ahmed Miloudi

Physics-informed neural networks (PINNs) are numerical solvers that embed all the physical information of a system into the loss function of a neural network. In this way the learned solution accounts for data (if available), the governing…

Computational Physics · Physics 2025-07-30 Andrés Martínez-Esteban , Pablo Calvo-Barlés , Luis Martín-Moreno , Sergio G Rodrigo

This paper presents Mechanistic Neural Networks, a neural network design for machine learning applications in the sciences. It incorporates a new Mechanistic Block in standard architectures to explicitly learn governing differential…

Machine Learning · Computer Science 2024-02-21 Adeel Pervez , Francesco Locatello , Efstratios Gavves

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

Mathematical models in neural networks are powerful tools for solving complex differential equations and optimizing their parameters; that is, solving the forward and inverse problems, respectively. A forward problem predicts the output of…

Machine Learning · Computer Science 2025-07-29 Aarush Gupta , Kendric Hsu , Syna Mathod

Physics-Informed Neural Networks (PINNs) offer a promising approach to solving differential equations and, more generally, to applying deep learning to problems in the physical sciences. We adopt a recently developed transfer learning…

Machine Learning · Computer Science 2022-11-02 Raphaël Pellegrin , Blake Bullwinkel , Marios Mattheakis , Pavlos Protopapas

I present a simple hybrid framework that combines physics informed neural networks (PINNs) with features generated from small quantum circuits. As a proof of concept, a first-order equation is solved by feeding quantum measurement…

Quantum Physics · Physics 2025-09-23 Rachana Soni

Estimating rate coefficients from complex chemical reactions is essential for advancing detailed chemistry. However, the stiffness inherent in real-world atmospheric chemistry systems poses severe challenges, leading to training instability…

Machine Learning · Computer Science 2025-09-01 Wenqing Peng , Zhi-Song Liu , Michael Boy

Solving coupled systems of differential equations (DEs) is a central problem across scientific computing. While Physics Informed Neural Networks (PINNs) offer a promising, mesh-free approach, their standard architectures struggle with the…

Quantum Physics · Physics 2026-02-17 Zhao-Wei Wang , Zhao-Ming Wang

Despite their ubiquity, the rich physics present in a plasma sheath has inhibited the development of a generally applicable description of this critical region. The present study utilizes a physics-informed neural network (PINN) to evaluate…

Plasma Physics · Physics 2026-04-27 Ethan Webb , Yuzhi Li , Christopher McDevitt

Finding accurate solutions to partial differential equations (PDEs) is a crucial task in all scientific and engineering disciplines. It has recently been shown that machine learning methods can improve the solution accuracy by correcting…

Computational Physics · Physics 2021-01-06 Kiwon Um , Robert Brand , Yun , Fei , Philipp Holl , Nils Thuerey

We investigate a new structure for machine learning classifiers applied to problems in high-energy physics by expanding the inputs to include not only measured features but also physics parameters. The physics parameters represent a…

High Energy Physics - Experiment · Physics 2016-05-25 Pierre Baldi , Kyle Cranmer , Taylor Faucett , Peter Sadowski , Daniel Whiteson

Physics-informed neural networks (PINNs) are an influential method of solving differential equations and estimating their parameters given data. However, since they make use of neural networks, they provide only a point estimate of…

Machine Learning · Computer Science 2024-05-15 Lena Podina , Mahdi Torabi Rad , Mohammad Kohandel

Physics-informed neural networks (PINNs) have emerged as a powerful paradigm for solving partial differential equations (PDEs) by embedding physical laws directly into neural network training. However, solving high-fidelity PDEs remains…

Machine Learning · Computer Science 2026-02-03 Olaf Yunus Laitinen Imanov

Physics-Informed Neural Networks (PINNs) recast PDE solving as an optimisation problem in function space by minimising a residual-based objective, yet many applications require additional derivative-based relations that are just as…

Machine Learning · Computer Science 2026-04-16 Kentaro Hoshisashi , Carolyn E Phelan , Paolo Barucca

The combination of machine learning and physical laws has shown immense potential for solving scientific problems driven by partial differential equations (PDEs) with the promise of fast inference, zero-shot generalisation, and the ability…

Machine Learning · Computer Science 2024-09-11 Nacime Bouziani , David A. Ham , Ado Farsi

Chemical reactions are the fundamental building blocks of drug design and organic chemistry research. In recent years, there has been a growing need for a large-scale deep-learning framework that can efficiently capture the basic rules of…

Machine Learning · Computer Science 2024-03-08 Bo Qiang , Yiran Zhou , Yuheng Ding , Ningfeng Liu , Song Song , Liangren Zhang , Bo Huang , Zhenming Liu

Physics-informed deep learning often faces optimization challenges due to the complexity of solving partial differential equations (PDEs), which involve exploring large solution spaces, require numerous iterations, and can lead to unstable…

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