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Determining a process-structure-property relationship is the holy grail of materials science, where both computational prediction in the forward direction and materials design in the inverse direction are essential. Problems in materials…

Computational Engineering, Finance, and Science · Computer Science 2020-04-28 Anh Tran , John A. Mitchell , Laura P. Swiler , Tim Wildey

Multifunctional metamaterials (MMM) bear promise as next-generation material platforms supporting miniaturization and customization. Despite many proof-of-concept demonstrations and the proliferation of deep learning assisted design, grand…

Computational Engineering, Finance, and Science · Computer Science 2024-03-28 Doksoo Lee , Lu Zhang , Yue Yu , Wei Chen

This paper introduces a novel two-stage machine learning-based surrogate modeling framework to address inverse problems in scientific and engineering fields. In the first stage of the proposed framework, a machine learning model termed the…

Machine Learning · Computer Science 2024-01-05 Farhad Pourkamali-Anaraki , Jamal F. Husseini , Evan J. Pineda , Brett A. Bednarcyk , Scott E. Stapleton

As a complementary tool to laboratory experiments, discrete numerical simulation, applied to granular materials, provides valuable information on the grain and contact scale microstructure, thereby enabling one to better understand the…

Classical Physics · Physics 2009-01-23 Jean-Noël Roux , François Chevoir

Neural operators have emerged as powerful tools for learning nonlinear mappings between function spaces, enabling real-time prediction of complex dynamics in diverse scientific and engineering applications. With their growing adoption in…

Computational Engineering, Finance, and Science · Computer Science 2025-10-14 Weiheng Zhong , Qibang Liu , Diab Abueidda , Seid Koric , Hadi Meidani

Metasurfaces have shown promising potentials in shaping optical wavefronts while remaining compact compared to bulky geometric optics devices. Design of meta-atoms, the fundamental building blocks of metasurfaces, relies on trial-and-error…

This work focuses on developing methods for approximating the solution operators of a class of parametric partial differential equations via neural operators. Neural operators have several challenges, including the issue of generating…

Numerical Analysis · Mathematics 2023-11-17 Prashant K. Jha

A novel physics-informed operator learning technique based on spectral methods is introduced to model the complex behavior of heterogeneous materials. The Lippmann-Schwinger operator in Fourier space is employed to construct physical…

Materials Science · Physics 2025-06-26 Ali Harandi , Hooman Danesh , Kevin Linka , Stefanie Reese , Shahed Rezaei

A deep neural network is a parametrization of a multilayer mapping of signals in terms of many alternatively arranged linear and nonlinear transformations. The linear transformations, which are generally used in the fully connected as well…

Machine Learning · Computer Science 2020-07-01 Ze-Feng Gao , Song Cheng , Rong-Qiang He , Z. Y. Xie , Hui-Hai Zhao , Zhong-Yi Lu , Tao Xiang

This paper presents a machine learning-based approach to correct inference errors caused by stuck-at faults in fully analog ReRAM-based neuromorphic circuits. Using a Design-Technology Co-Optimization (DTCO) simulation framework, we model…

Neural and Evolutionary Computing · Computer Science 2025-09-16 Vedant Sawal , Hiu Yung Wong

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

Machine-learning-based surrogate models offer significant computational efficiency and faster simulations compared to traditional numerical methods, especially for problems requiring repeated evaluations of partial differential equations.…

Machine Learning · Computer Science 2025-12-15 Qibang Liu , Weiheng Zhong , Hadi Meidani , Diab Abueidda , Seid Koric , Philippe Geubelle

Analog crossbar architectures for accelerating neural network training and inference have made tremendous progress over the past several years. These architectures are ideal for dense layers with fewer than roughly a thousand neurons.…

Emerging Technologies · Computer Science 2020-03-06 Jack D. Kendall , Ross D. Pantone , Juan C. Nino

Numerical simulations play a critical role in design and development of engineering products and processes. Traditional computational methods, such as CFD, can provide accurate predictions but are computationally expensive, particularly for…

Molecular dynamics (MD) has served as a powerful tool for designing materials with reduced reliance on laboratory testing. However, the use of MD directly to treat the deformation and failure of materials at the mesoscale is still largely…

Materials Science · Physics 2023-01-12 Huaiqian You , Xiao Xu , Yue Yu , Stewart Silling , Marta D'Elia , John Foster

Neural operators, which can act as implicit solution operators of hidden governing equations, have recently become popular tools for learning the responses of complex real-world physical systems. Nevertheless, most neural operator…

Materials Science · Physics 2024-01-12 Siavash Jafarzadeh , Stewart Silling , Ning Liu , Zhongqiang Zhang , Yue Yu

The paper considers the problem of performing a task defined on a model parameter that is only observed indirectly through noisy data in an ill-posed inverse problem. A key aspect is to formalize the steps of reconstruction and task as…

Computer Vision and Pattern Recognition · Computer Science 2022-10-11 Jonas Adler , Sebastian Lunz , Olivier Verdier , Carola-Bibiane Schönlieb , Ozan Öktem

In this paper, we present a machine learning-based data generator framework tailored to aid researchers who utilize simulations to examine various physical systems or processes. High computational costs and the resulting limited data often…

Machine Learning · Computer Science 2023-05-17 Sabber Ahamed , Md Mesbah Uddin

We propose a deep neural network for supervised learning on neuroanatomical shapes. The network directly operates on raw point clouds without the need for mesh processing or the identification of point correspondences, as spatial…

Computer Vision and Pattern Recognition · Computer Science 2018-06-05 Benjamin Gutierrez-Becker , Christian Wachinger

Electrical Impedance Tomography (EIT) is a non-invasive medical imaging method that reconstructs electrical conductivity mediums from boundary voltage-current measurements, but its severe ill-posedness renders direct operator learning with…

Numerical Analysis · Mathematics 2026-01-14 Amit Bhat , Ke Chen , Chunmei Wang