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The ultimate aim of the study is to explore the inverse design of porous metamaterials using a deep learning-based generative framework. Specifically, we develop a property-variational autoencoder (pVAE), a variational autoencoder (VAE)…

Machine Learning · Computer Science 2025-07-25 Phu Thien Nguyen , Yousef Heider , Dennis M. Kochmann , Fadi Aldakheel

We investigate the construction of generative models capable of encoding physical constraints that can be hard to express explicitly. For the problem of inverse material design, where one seeks to design a material with a prescribed set of…

Materials Science · Physics 2024-01-17 Khalid El-Awady

Generative design is an increasingly important tool in the industrial world. It allows the designers and engineers to easily explore vast ranges of design options, providing a cheaper and faster alternative to the trial and failure…

Machine Learning · Computer Science 2023-06-09 Fouad Oubari , Raphael Meunier , Rodrigue Décatoire , Mathilde Mougeot

Microstructure reconstruction is an important and emerging field of research and an essential foundation to improving inverse computational materials engineering (ICME). Much of the recent progress in the field is made based on generative…

Machine Learning · Computer Science 2023-03-08 Yichi Zhang , Paul Seibert , Alexandra Otto , Alexander Raßloff , Marreddy Ambati , Markus Kästner

The research of metamaterials has achieved enormous success in the manipulation of light in an artificially prescribed manner using delicately designed sub-wavelength structures, so-called meta-atoms. Even though modern numerical methods…

Optics · Physics 2019-01-31 Wei Ma , Feng Cheng , Yihao Xu , Qinlong Wen , Yongmin Liu

The rise of machine learning has fueled the discovery of new materials and, especially, metamaterials--truss lattices being their most prominent class. While their tailorable properties have been explored extensively, the design of…

Computational Engineering, Finance, and Science · Computer Science 2024-04-17 Li Zheng , Konstantinos Karapiperis , Siddhant Kumar , Dennis M. Kochmann

A significant development towards inverse design of materials with well-defined target properties is reported. A deep generative model based on variational autoencoder (VAE), conditioned simultaneously by two target properties, is developed…

Materials Science · Physics 2023-11-23 Sourav Mal , Gaurav Seal , Prasenjit Sen

The ability to accurately model random fields plays a critical role in science and engineering for problems involving uncertain, spatially-varying quantities such as heterogeneous material properties and turbulent flows. Deep generative…

We propose a variational autoencoder (VAE)-based model for building forward and inverse structure-property linkages, a problem of paramount importance in computational materials science. Our model systematically combines VAE with…

Machine Learning · Computer Science 2024-02-29 Avadhut Sardeshmukh , Sreedhar Reddy , BP Gautham , Pushpak Bhattacharyya

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…

Mechanical metamaterials enable precise control over structural properties, but their design method remains challenging due to their complex structure. Although additive manufacturing has expanded geometric freedom, navigating this vast and…

Soft Condensed Matter · Physics 2025-09-18 Kijung Kim , Seungwook Hong , Wonjun Jung , Wooseok Kim , Namjung Kim , Howon Lee

Variational Autoencoder (VAE) and its variations are classic generative models by learning a low-dimensional latent representation to satisfy some prior distribution (e.g., Gaussian distribution). Their advantages over GAN are that they can…

Computer Vision and Pattern Recognition · Computer Science 2020-09-24 Cong Geng , Jia Wang , Li Chen , Zhiyong Gao

In Materials Science, material development involves evaluating and optimizing the internal structures of the material, generically referred to as microstructures. Microstructures structure is stochastic, analogously to image textures. A…

Machine Learning · Computer Science 2024-08-06 Sayed Sajad Hashemi , Michael Guerzhoy , Noah H. Paulson

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

Generative modeling of 3D brain MRIs presents difficulties in achieving high visual fidelity while ensuring sufficient coverage of the data distribution. In this work, we propose to address this challenge with composable, multiscale…

Image and Video Processing · Electrical Eng. & Systems 2023-01-12 Jaivardhan Kapoor , Jakob H. Macke , Christian F. Baumgartner

Layout design with complex constraints is a challenging problem to solve due to the non-uniqueness of the solution and the difficulties in incorporating the constraints into the conventional optimization-based methods. In this paper, we…

Signal Processing · Electrical Eng. & Systems 2018-06-11 Yujie Zhang , Wenjing Ye

By composing graphical models with deep learning architectures, we learn generative models with the strengths of both frameworks. The structured variational autoencoder (SVAE) inherits structure and interpretability from graphical models,…

Machine Learning · Computer Science 2023-11-15 Harry Bendekgey , Gabriel Hope , Erik B. Sudderth

We introduce a Deep Kernel Learning Variational Autoencoder (VAE-DKL) framework that integrates the generative power of a Variational Autoencoder (VAE) with the predictive nature of Deep Kernel Learning (DKL). The VAE learns a latent…

Machine Learning · Computer Science 2025-03-06 Boris N. Slautin , Utkarsh Pratiush , Doru C. Lupascu , Maxim A. Ziatdinov , Sergei V. Kalinin

Microstructure is key to controlling and understanding the properties of metallic materials, but traditional approaches to describing microstructure capture only a small number of features. To enable data-centric approaches to materials…

Variational Autoencoders (VAE) are probabilistic deep generative models underpinned by elegant theory, stable training processes, and meaningful manifold representations. However, they produce blurry images due to a lack of explicit…

Computer Vision and Pattern Recognition · Computer Science 2019-11-15 Prashnna K Gyawali , Rudra Saha , Linwei Wang , VSR Veeravasarapu , Maneesh Singh
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