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Advancements in deep learning and machine learning have improved the ability to model complex, nonlinear relationships, such as those encountered in complex material inverse problems. However, the effectiveness of these methods often…

Machine Learning · Computer Science 2025-04-10 Qinyi Tian , Winston Lindqwister , Manolis Veveakis , Laura E. Dalton

Heterogeneous materials, crucial in various engineering applications, exhibit complex multiscale behavior, which challenges the effectiveness of traditional computational methods. In this work, we introduce the Micromechanics Transformer…

Computational Engineering, Finance, and Science · Computer Science 2024-10-10 Sifan Wang , Tong-Rui Liu , Shyam Sankaran , Paris Perdikaris

Owing to additive manufacturing techniques, a structure at millimeter length scale (macroscale) can be produced by using a lattice substructure at micrometer length scale (microscale). Such a system is called a metamaterial at the…

Computational Engineering, Finance, and Science · Computer Science 2019-11-25 H. Yang , B. E. Abali , W. H. Müller , D. Timofeev

Stress and material deformation field predictions are among the most important tasks in computational mechanics. These predictions are typically made by solving the governing equations of continuum mechanics using finite element analysis,…

Machine Learning · Statistics 2024-06-24 George D. Pasparakis , Lori Graham-Brady , Michael D. Shields

The enormous structural and chemical diversity of metal-organic frameworks (MOFs) forces researchers to actively use simulation techniques on an equal footing with experiments. MOFs are widely known for outstanding adsorption properties, so…

Materials Science · Physics 2021-11-22 Vadim V. Korolev , Yurii M. Nevolin , Thomas A. Manz , Pavel V. Protsenko

Practical applications of mechanical metamaterials often involve solving inverse problems where the objective is to find the (multiple) microarchitectures that give rise to a given set of properties. The limited resolution of additive…

This research introduces a unified approach combining Automated Machine Learning (AutoML) with Explainable Artificial Intelligence (XAI) to predict fatigue strength in welded transverse stiffener details. It integrates expert-driven feature…

Computational Engineering, Finance, and Science · Computer Science 2025-11-07 Michael A. Kraus , Helen Bartsch

Machine learning (ML) is shown to predict new alloys and their performances in a high dimensional, multiple-target-property design space that considers chemistry, multi-step processing routes, and characterization methodology variations. A…

Materials Science · Physics 2020-10-12 Sen Liu , Branden B. Kappes , Behnam Amin-ahmadi , Othmane Benafan , Xiaoli Zhang , Aaron P. Stebner

Global climate models (GCMs), typically run at ~100-km resolution, capture large-scale environmental conditions but cannot resolve convection and cloud processes at kilometer scales. Convection-permitting models offer higher-resolution…

Atmospheric and Oceanic Physics · Physics 2026-05-12 Hungjui Yu , Lander Ver Hoef , Kristen L. Rasmussen , Imme Ebert-Uphoff

The aim of this paper is to develop a multiscale hierarchical hybrid model based on finite element analysis and neural network computation to link mesoscopic scale (trabecular network level) and macroscopic (whole bone level) to simulate…

Medical Physics · Physics 2011-07-20 Ridha Hambli , Abdelwahed Barkaoui

Machine-learning (ML) force fields enable large-scale simulations with near-first-principles accuracy at substantially reduced computational cost. Recent work has extended ML force-field approaches to adiabatic dynamical simulations of…

Strongly Correlated Electrons · Physics 2026-01-08 Yunhao Fan , Gia-Wei Chern

The macroscopic response of short fiber reinforced composites is dependent on an extensive range of microstructural parameters. Thus, micromechanical modeling of these materials is challenging and in some cases, computationally expensive.…

Machine Learning · Computer Science 2022-10-04 J. Friemann , B. Dashtbozorg , M. Fagerström , S. M. Mirkhalaf

Dynamical systems that evolve continuously over time are ubiquitous throughout science and engineering. Machine learning (ML) provides data-driven approaches to model and predict the dynamics of such systems. A core issue with this approach…

Machine Learning · Computer Science 2023-11-23 Aditi S. Krishnapriyan , Alejandro F. Queiruga , N. Benjamin Erichson , Michael W. Mahoney

Science-based simulation tools such as Finite Element (FE) models are routinely used in scientific and engineering applications. While their success is strongly dependent on our understanding of underlying governing physical laws, they…

Machine Learning · Computer Science 2021-03-31 Navid Zobeiry , Anoush Poursartip

Understanding excitonic effects in two-dimensional (2D) materials is critical for advancing their potential in next-generation electronic and photonic devices. In this study, we introduce a machine learning (ML)-based framework to predict…

Materials Science · Physics 2025-12-02 Ahsan Javed , Sajid Ali

Understanding structure-property relationships in complex materials requires integrating complementary measurements across multiple length scales. Here we propose an interpretable "multimodal" machine learning framework that unifies…

Materials Science · Physics 2026-02-03 Shun Muroga , Hideaki Nakajima , Taiyo Shimizu , Kazufumi Kobashi , Kenji Hata

We present a complete set of chemo-structural descriptors to significantly extend the applicability of machine-learning (ML) in material screening and mapping energy landscape for multicomponent systems. These new descriptors allow…

Materials Science · Physics 2018-08-08 Kamal Choudhary , Brian DeCost , Francesca Tavazza

Advances in manufacturing and characterization of complex molecular systems have created a need for new methods for design at molecular length scales. Emerging approaches are increasingly relying on the use of Artificial Intelligence (AI),…

Soft Condensed Matter · Physics 2022-08-17 Dan Mendels , Fabian Byléhn , Timothy W. Sirk , Juan J. de Pablo

We study collaborative machine learning (ML) across wireless devices, each with its own local dataset. Offloading these datasets to a cloud or an edge server to implement powerful ML solutions is often not feasible due to latency, bandwidth…

Machine Learning · Computer Science 2019-09-06 Mehdi Salehi Heydar Abad , Emre Ozfatura , Deniz Gunduz , Ozgur Ercetin

An innovative physics-guided learning algorithm for predicting the mechanical response of materials and structures is proposed in this paper. The key concept of the proposed study is based on the fact that physics models are governed by…

Computational Engineering, Finance, and Science · Computer Science 2020-04-22 Houpu Yao , Yi Gao , Yongming Liu
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