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Accurate prediction of surface energies and stabilities is essential for materials design, yet first-principles calculations remain computationally expensive and most existing interatomic potentials are trained only on bulk systems. Here,…

Materials Science · Physics 2025-10-01 Jaekyun Hwang , Taehun Lee , Yonghyuk Lee , Su-Hyun Yoo

In this paper, we present the adaptive physics-informed neural networks (PINNs) for resolving three dimensional (3D) dynamic thermo-mechanical coupling problems in large-size-ratio functionally graded materials (FGMs). The physical laws…

Computational Engineering, Finance, and Science · Computer Science 2023-06-16 Lin Qiu , Yanjie Wang , Tian He , Yan Gu , Fajie Wang

Quantifying and propagating modeling uncertainties is crucial for reliability analysis, robust optimization, and other model-based algorithmic processes in engineering design and control. Now, physics-informed machine learning (PIML)…

Machine Learning · Computer Science 2025-07-14 Manaswin Oddiraju , Bharath Varma Penumatsa , Divyang Amin , Michael Piedmonte , Souma Chowdhury

This short note describes the concept of guided training of deep neural networks (DNNs) to learn physically reasonable solutions. DNNs are being widely used to predict phenomena in physics and mechanics. One of the issues of DNNs is that…

Machine Learning · Computer Science 2023-04-25 Kazuo Yonekura

This paper presents a PINN training framework that employs (1) pre-training steps that accelerates and improve the robustness of the training of physics-informed neural network with auxiliary data stored in point clouds, (2) a net-to-net…

Machine Learning · Computer Science 2021-07-27 Bahador Bahmani , WaiChing Sun

The utilization of Deep Neural Networks (DNNs) in physical science and engineering applications has gained traction due to their capacity to learn intricate functions. While large datasets are crucial for training DNN models in fields like…

Machine Learning · Computer Science 2025-08-05 Vamsi Sai Krishna Malineni , Suresh Rajendran

Physics-informed neural networks (PINNs) have emerged as a promising deep learning method, capable of solving forward and inverse problems governed by differential equations. Despite their recent advance, it is widely acknowledged that…

Machine Learning · Computer Science 2024-06-11 Franz M. Rohrhofer , Stefan Posch , Clemens Gößnitzer , Bernhard C. Geiger

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

We present a simple, yet general, end-to-end deep neural network representation of the potential energy surface for atomic and molecular systems. This methodology, which we call Deep Potential, is "first-principle" based, in the sense that…

Computational Physics · Physics 2020-07-20 Jiequn Han , Linfeng Zhang , Roberto Car , Weinan E

We provide an approach enabling one to employ physics-informed neural networks (PINNs) for uncertainty quantification. Our approach is applicable to systems where observations are scarce (or even lacking), these being typical situations…

Data Analysis, Statistics and Probability · Physics 2024-08-12 Milad Panahi , Giovanni Michele Porta , Monica Riva , Alberto Guadagnini

Material identification is critical for understanding the relationship between mechanical properties and the associated mechanical functions. However, material identification is a challenging task, especially when the characteristic of the…

Materials Science · Physics 2022-11-29 Wensi Wu , Mitchell Daneker , Matthew A. Jolley , Kevin T. Turner , Lu Lu

In this paper we employ the emerging paradigm of physics-informed neural networks (PINNs) for the solution of representative inverse scattering problems in photonic metamaterials and nano-optics technologies. In particular, we successfully…

Computational Physics · Physics 2020-04-22 Yuyao Chen , Lu Lu , George Em Karniadakis , Luca Dal Negro

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

Neural network (NN) interatomic potentials provide fast prediction of potential energy surfaces, closely matching the accuracy of the electronic structure methods used to produce the training data. However, NN predictions are only reliable…

Machine Learning · Computer Science 2021-08-31 Daniel Schwalbe-Koda , Aik Rui Tan , Rafael Gómez-Bombarelli

The prohibitive cost and low fidelity of experimental data in industry scale thermofluid systems limit the usefulness of pure data-driven machine learning methods. Physics-informed neural networks (PINN) strive to overcome this by embedding…

Fluid Dynamics · Physics 2021-05-25 Ryno Laubscher , Pieter Rousseau

Physics-informed neural networks (PINNs) have been widely applied in different fields due to their effectiveness in solving partial differential equations (PDEs). However, the accuracy and efficiency of PINNs need to be considerably…

Machine Learning · Computer Science 2023-08-16 Weilong Guan , Kaihan Yang , Yinsheng Chen , Zhong Guan

Physics-informed neural networks (PINNs) impose known physical laws into the learning of deep neural networks, making sure they respect the physics of the process while decreasing the demand of labeled data. For systems represented by…

Neural networks (NNs) accelerate simulations of quantum dissipative dynamics. Ensuring that these simulations adhere to fundamental physical laws is crucial, but has been largely ignored in the state-of-the-art NN approaches. We show that…

Chemical Physics · Physics 2024-09-06 Arif Ullah , Yu Huang , Ming Yang , Pavlo O. Dral

We present the application of a class of deep learning, known as Physics Informed Neural Networks (PINN), to learning and discovery in solid mechanics. We explain how to incorporate the momentum balance and constitutive relations into PINN,…

Machine Learning · Computer Science 2020-05-12 Ehsan Haghighat , Maziar Raissi , Adrian Moure , Hector Gomez , Ruben Juanes

Machine-learned interatomic potentials (MLIPs) are increasingly used to replace computationally demanding electronic-structure calculations to model matter at the atomic scale. The most commonly used model architectures are constrained to…

Chemical Physics · Physics 2026-03-30 Filippo Bigi , Paolo Pegolo , Arslan Mazitov , Jonathan Schmidt , Michele Ceriotti