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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…

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

Microstructure quantification is an important step towards establishing structure-property relationships in materials. Machine learning-based image processing methods have been shown to outperform conventional image processing techniques…

Materials Science · Physics 2025-06-26 Michael D. White , Michael D. Atkinson , Adam J. Plowman , Pratheek Shanthraj

The vast combination of material properties seen in nature are achieved by the complexity of the material microstructure. Advanced characterization and physics based simulation techniques have led to generation of extremely large…

Machine Learning · Computer Science 2023-01-12 Veera Sundararaghavan , Megna N. Shah , Jeff P. Simmons

Metamaterials are emerging as a new paradigmatic material system to render unprecedented and tailorable properties for a wide variety of engineering applications. However, the inverse design of metamaterial and its multiscale system is…

Computational Engineering, Finance, and Science · Computer Science 2020-09-17 Liwei Wang , Yu-Chin Chan , Faez Ahmed , Zhao Liu , Ping Zhu , Wei Chen

Microscopy techniques generate vast amounts of complex image data that in principle can be used to discover simpler, interpretable, and parsimonious forms to reveal the underlying physical structures, such as elementary building blocks in…

Representation learning seeks to expose certain aspects of observed data in a learned representation that's amenable to downstream tasks like classification. For instance, a good representation for 2D images might be one that describes only…

Machine Learning · Computer Science 2017-03-07 Xi Chen , Diederik P. Kingma , Tim Salimans , Yan Duan , Prafulla Dhariwal , John Schulman , Ilya Sutskever , Pieter Abbeel

Variational auto-encoders (VAEs) are a popular and powerful deep generative model. Previous works on VAEs have assumed a factorized likelihood model, whereby the output uncertainty of each pixel is assumed to be independent. This…

Machine Learning · Statistics 2026-05-14 Gara Dorta , Sara Vicente , Lourdes Agapito , Neill D. F. Campbell , Ivor Simpson

In recent years Variation Autoencoders have become one of the most popular unsupervised learning of complicated distributions.Variational Autoencoder (VAE) provides more efficient reconstructive performance over a traditional autoencoder.…

Machine Learning · Statistics 2017-07-12 Gautam Ramachandra

Physical imaging is a foundational characterization method in areas from condensed matter physics and chemistry to astronomy and spans length scales from atomic to universe. Images encapsulate crucial data regarding atomic bonding,…

In this paper we propose Structuring AutoEncoders (SAE). SAEs are neural networks which learn a low dimensional representation of data which are additionally enriched with a desired structure in this low dimensional space. While traditional…

Machine Learning · Computer Science 2019-08-20 Marco Rudolph , Bastian Wandt , Bodo Rosenhahn

Is there really much more to say about sparse autoencoders (SAEs)? Autoencoders in general, and SAEs in particular, represent deep architectures that are capable of modeling low-dimensional latent structure in data. Such structure could…

Machine Learning · Computer Science 2025-06-09 Yin Lu , Xuening Zhu , Tong He , David Wipf

Stochastic microstructure reconstruction involves digital generation of microstructures that match key statistics and characteristics of a (set of) target microstructure(s). This process enables computational analyses on ensembles of…

Materials Science · Physics 2023-01-02 Anindya Bhaduri , Ashwini Gupta , Audrey Olivier , Lori Graham-Brady

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

Variational autoencoders (VAEs) have been used extensively to discover low-dimensional latent factors governing neural activity and animal behavior. However, without careful model selection, the uncovered latent factors may reflect noise in…

Machine Learning · Computer Science 2023-12-13 Julia Huiming Wang , Dexter Tsin , Tatiana Engel

Electron, optical, and scanning probe microscopy methods are generating ever increasing volume of image data containing information on atomic and mesoscale structures and functionalities. This necessitates the development of the machine…

Machine Learning · Computer Science 2023-04-03 Mani Valleti , Yongtao Liu , Sergei Kalinin

When deformation gradients act on the scale of the microstructure of a part due to geometry and loading, spatial correlations and finite-size effects in simulation cells cannot be neglected. We propose a multiscale method that accounts for…

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

The paper presents the application of Variational Autoencoders (VAE) for data dimensionality reduction and explorative analysis of mass spectrometry imaging data (MSI). The results confirm that VAEs are capable of detecting the patterns…

Quantitative Methods · Quantitative Biology 2017-08-25 Paolo Inglese , James L. Alexander , Anna Mroz , Zoltan Takats , Robert Glen

We propose a composable framework for latent space image augmentation that allows for easy combination of multiple augmentations. Image augmentation has been shown to be an effective technique for improving the performance of a wide variety…

Machine Learning · Computer Science 2023-03-08 Omead Pooladzandi , Jeffrey Jiang , Sunay Bhat , Gregory Pottie
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