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In this paper, we introduce a denoising diffusion algorithm to discover microstructures with nonlinear fine-tuned properties. Denoising diffusion probabilistic models are generative models that use diffusion-based dynamics to gradually…

Machine Learning · Computer Science 2023-06-14 Nikolaos N. Vlassis , WaiChing Sun

Building on discoveries in graphene and two-dimensional (2D) transition metal dichalcogenides, van der Waals (VdW) layered heterostructures - stacks of such 2D materials - are being extensively explored with resulting new discoveries of…

Materials Science · Physics 2022-10-20 Nicholas Ng , Tyrel M. McQueen

In this work, we present Multimodal Equivariant Inverse Design Network (MEIDNet), a framework that jointly learns structural information and materials properties through contrastive learning, while encoding structures via an equivariant…

Materials Science · Physics 2026-01-30 Anand Babu , Rogério Almeida Gouvêa , Pierre Vandergheynst , Gian-Marco Rignanese

Metamaterials are a new generation of advanced materials, exhibiting engineered microstructures that enable customized material properties not found in nature. The dynamics of metamaterials are particularly fascinating, promising the…

Applied Physics · Physics 2025-07-03 Charles Dorn , Vignesh Kannan , Ute Drechsler , Dennis M. Kochmann

We propose a computational framework, Hetero-EUCLID, for segmentation and parameter identification to characterize the full hyperelastic behavior of all constituents of a heterogeneous material. In this work, we leverage the Bayesian-EUCLID…

Computational Engineering, Finance, and Science · Computer Science 2026-01-19 Kanhaiya Lal Chaurasiya , Saurav Dutta , Siddhant Kumar , Akshay Joshi

We present a novel method for characterizing the microstructure of a material from volumetric datasets such as 3D image data from computed tomography (CT). The method is based on a new statistical model for the distribution of voxel…

Materials Science · Physics 2021-01-06 Elise Otterlei Brenne , Vedrana Andersen Dahl , Peter Stanley Jørgensen

The finite element method (FEM) is among the most commonly used numerical methods for solving engineering problems. Due to its computational cost, various ideas have been introduced to reduce computation times, such as domain decomposition,…

Computational Engineering, Finance, and Science · Computer Science 2019-11-07 Andrea Mendizabal , Pablo Márquez-Neila , Stéphane Cotin

This letter considers the transceiver design in frequency division duplex (FDD) massive multiple-input multiple-output (MIMO) orthogonal frequency division multiplexing (OFDM) systems for high-quality data transmission. We propose a novel…

Signal Processing · Electrical Eng. & Systems 2023-12-12 Junyi Yang , Weifeng Zhu , Shu Sun , Xiaofeng Li , Xingqin Lin , Meixia Tao

Machine learning which is a sub-domain of an Artificial Intelligence which is finding various applications in manufacturing and material science sectors. In the present study, Deep Generative Modeling which a type of unsupervised machine…

Image and Video Processing · Electrical Eng. & Systems 2021-09-15 Akshansh Mishra , Tarushi Pathak

The advent of two-dimensional metamaterials in recent years has ushered in a revolutionary means to manipulate the behavior of light on the nanoscale. The effective parameters of these architected materials render unprecedented control over…

Optics · Physics 2018-11-14 Zhaocheng Liu , Dayu Zhu , Sean P. Rodrigues , Kyu-Tae Lee , Wenshan Cai

This paper presents a novel decoder-based approach for generating manufacturable 3D structures optimized for additive manufacturing. We introduce a deep learning framework that decodes latent representations into geometrically valid,…

Computer Vision and Pattern Recognition · Computer Science 2026-01-14 Abhishek Kumar

Generative models hold the promise of significantly expediting the materials design process when compared to traditional human-guided or rule-based methodologies. However, effectively generating high-quality periodic structures of materials…

Materials Science · Physics 2024-08-15 Anshuman Sinha , Shuyi Jia , Victor Fung

Ptychographic extreme ultraviolet (EUV) diffractive imaging has emerged as a promising candidate for the next-generation metrology solutions in the semiconductor industry, as it can image wafer samples in reflection geometry at the…

Image and Video Processing · Electrical Eng. & Systems 2023-11-28 Yifeng Shao , Sven Weerdenburg , Jacob Seifert , H. Paul Urbach , Allard P. Mosk , Wim Coene

The inner structure of a material is called microstructure. It stores the genesis of a material and determines all its physical and chemical properties. While microstructural characterization is widely spread and well known, the…

Computer Vision and Pattern Recognition · Computer Science 2018-02-16 Seyed Majid Azimi , Dominik Britz , Michael Engstler , Mario Fritz , Frank Mücklich

While density functional theory (DFT) serves as a prevalent computational approach in electronic structure calculations, its computational demands and scalability limitations persist. Recently, leveraging neural networks to parameterize the…

Computational Physics · Physics 2024-06-18 Yang Zhong , Hongyu Yu , Jihui Yang , Xingyu Guo , Hongjun Xiang , Xingao Gong

In data-driven drug discovery, designing molecular descriptors is a very important task. Deep generative models such as variational autoencoders (VAEs) offer a potential solution by designing descriptors as probabilistic latent vectors…

Machine Learning · Computer Science 2023-08-23 Daiki Koge , Naoaki Ono , Shigehiko Kanaya

Hierarchical structures exhibit critical features across multiple scales. However, designing multiscale structures demands significant computational resources, and ensuring connectivity between microstructures remains a key challenge. To…

Computational Engineering, Finance, and Science · Computer Science 2025-01-09 Jingxuan Feng , Lili Wang , Xiaoya Zhai , Kai Chen , Wenming Wu , Ligang Liu , Xiao-Ming Fu

In this work, we propose a fully coupled multiscale strategy for components made from short fiber reinforced composites, where each Gauss point of the macroscopic finite element model is equipped with a deep material network (DMN) which…

Computational Engineering, Finance, and Science · Computer Science 2021-09-24 Sebastian Gajek , Matti Schneider , Thomas Böhlke

Structural colours have drawn wide attention for their potential as a future printing technology for various applications, ranging from biomimetic tissues to adaptive camouflage materials. However, an efficient approach to realise robust…

Metastructures are engineered systems composed of periodic arrays of identical components, called resonators, designed to achieve specific dynamic effects, such as creating a band gap-a frequency range where waves cannot propagate through…

Computational Engineering, Finance, and Science · Computer Science 2024-12-10 Patricio Peralta-Braz , Mehrisadat Makki Alamdari , Mahbub Hassan , Elena Atroshchenko
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