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In this work, we investigated the feasibility of applying deep learning techniques to solve Poisson's equation. A deep convolutional neural network is set up to predict the distribution of electric potential in 2D or 3D cases. With proper…

Computational Physics · Physics 2017-12-18 Tao Shan , Wei Tang , Xunwang Dang , Maokun Li , Fan Yang , Shenheng Xu , Ji Wu

Finite element modeling is a well-established tool for structural analysis, yet modeling complex structures often requires extensive pre-processing, significant analysis effort, and considerable time. This study addresses this challenge by…

Deep learning has emerged as a promising paradigm to give access to highly accurate predictions of molecular and materials properties. A common short-coming shared by current approaches, however, is that neural networks only give point…

Computational Physics · Physics 2023-05-10 Albert Zhu , Simon Batzner , Albert Musaelian , Boris Kozinsky

With a recently proposed quasiclassical ansatz [Geyer and Rost, J. Phys. B 35 (2002) 1479] it is possible to perform classical trajectory ionization calculations on many electron targets. The autoionization of the target is prevented by a…

Atomic Physics · Physics 2009-11-10 Tihamer Geyer

Machine learning methods for solving nonlinear partial differential equations (PDEs) are hot topical issues, and different algorithms proposed in the literature show efficient numerical approximation in high dimension. In this paper, we…

Optimization and Control · Mathematics 2022-01-05 Maximilien Germain , Mathieu Laurière , Huyên Pham , Xavier Warin

We propose a semi-empirical formula for the cross section of ionization by electron impact. The formula involves adjustable parameters which are determined by comparison with measured or numerically calculated cross sections. In the latter…

Atomic Physics · Physics 2024-04-09 Djamel Benredjem , Jean-Christophe Pain

Defect detection is a basic and essential task in automatic parts production, especially for automotive engine precision parts. In this paper, we propose a new idea to construct a deep convolutional network combining related knowledge of…

Computer Vision and Pattern Recognition · Computer Science 2018-10-30 Zhenshen Qu , Jianxiong Shen , Ruikun Li , Junyu Liu , Qiuyu Guan

Nonlinear structural analyses in engineering often require extensive finite element simulations, limiting their applicability in design optimization and real-time control. Conventional deep learning surrogates often struggle with complex,…

Machine Learning · Computer Science 2026-02-20 Jangseop Park , Namwoo Kang

Skin lesion is a severe disease in world-wide extent. Early detection of melanoma in dermoscopy images significantly increases the survival rate. However, the accurate recognition of melanoma is extremely challenging due to the following…

Computer Vision and Pattern Recognition · Computer Science 2017-11-23 Yuexiang Li , Linlin Shen

Deep operator networks (DeepONets) are receiving increased attention thanks to their demonstrated capability to approximate nonlinear operators between infinite-dimensional Banach spaces. However, despite their remarkable early promise,…

Machine Learning · Computer Science 2021-03-23 Sifan Wang , Hanwen Wang , Paris Perdikaris

Most AI-for-Materials research to date has focused on ideal crystals, whereas real-world materials inevitably contain defects that play a critical role in modern functional technologies. The defects break geometric symmetry and increase…

Materials Science · Physics 2025-06-03 Ziduo Yang , Xiaoqing Liu , Xiuying Zhang , Pengru Huang , Kostya S. Novoselov , Lei Shen

As a data-driven method, the performance of deep convolutional neural networks (CNN) relies heavily on training data. The prediction results of traditional networks give a bias toward larger classes, which tend to be the background in the…

Computer Vision and Pattern Recognition · Computer Science 2022-03-04 N. Anantrasirichai , David Bull

Fully differential cross sections are calculated for the ionization of H$_2$ by fast charged projectiles using a semiclassical model developed previously for the ionization of atoms. The method is tested in case of 4 keV electron and 6 MeV…

Atomic Physics · Physics 2009-12-07 F. Jarai-Szabo , K. Nagy-Pora , L Nagy

There has been a steady increase in the incidence of skin cancer worldwide, with a high rate of mortality. Early detection and segmentation of skin lesions are crucial for timely diagnosis and treatment, necessary to improve the survival…

Computer Vision and Pattern Recognition · Computer Science 2019-12-04 Sulaiman Vesal , Nishant Ravikumar , Andreas Maier

We first, introduce a deep learning based framework named as DeepIrisNet2 for visible spectrum and NIR Iris representation. The framework can work without classical iris normalization step or very accurate iris segmentation; allowing to…

Computer Vision and Pattern Recognition · Computer Science 2019-02-15 Abhishek Gangwar , Akanksha Joshi , Padmaja Joshi , R. Raghavendra

Within first-principles density functional theory (DFT) frameworks, accurate but fast prediction of electronic structures of nanoparticles (NPs) remains challenging. Herein, we propose a machine-learning architecture to rapidly but…

Materials Science · Physics 2020-07-22 Kihoon Bang , Byung Chul Yeo , Donghun Kim , Sang Soo Han , Hyuck Mo Lee

In this paper, we investigate the applications of operator learning, specifically DeepONet, for solving nonlinear partial differential equations (PDEs). Unlike conventional function learning methods that require training separate neural…

Machine Learning · Computer Science 2025-09-30 Yahong Yang

SchNetPack is a toolbox for the development and application of deep neural networks to the prediction of potential energy surfaces and other quantum-chemical properties of molecules and materials. It contains basic building blocks of…

Computational Physics · Physics 2018-12-13 K. T. Schütt , P. Kessel , M. Gastegger , K. Nicoli , A. Tkatchenko , K. -R. Müller

Ionization collisions have important consequences in many physical phenomena, and the mechanism that leads to ionization is not universal. Double differential cross sections (DDCSs) are often used to identify ionization mechanisms because…

Atomic Physics · Physics 2022-02-23 A. Plumadore , A. L. Harris

Convolutional Neural Nets, which is a powerful method of Deep Learning, is applied to classify equation of state of heavy-ion collision event generated within the UrQMD model. Event-by-event transverse momentum and azimuthal angle…

Nuclear Theory · Physics 2020-07-23 Yu. Kvasiuk , E. Zabrodin , L. Bravina , I. Didur , M. Frolov
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