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Generating the periodic structure of stable materials is a long-standing challenge for the material design community. This task is difficult because stable materials only exist in a low-dimensional subspace of all possible periodic…

Machine Learning · Computer Science 2022-03-15 Tian Xie , Xiang Fu , Octavian-Eugen Ganea , Regina Barzilay , Tommi Jaakkola

Recent advances in deep learning have shown their ability to learn strong feature representations for images. The task of image clustering naturally requires good feature representations to capture the distribution of the data and…

Computer Vision and Pattern Recognition · Computer Science 2020-05-12 Vignesh Prasad , Dipanjan Das , Brojeshwar Bhowmick

An assumption-free automatic check of medical images for potentially overseen anomalies would be a valuable assistance for a radiologist. Deep learning and especially Variational Auto-Encoders (VAEs) have shown great potential in the…

Machine Learning · Computer Science 2019-07-12 David Zimmerer , Fabian Isensee , Jens Petersen , Simon Kohl , Klaus Maier-Hein

Autoencoders have found widespread application in both their original deterministic form and in their variational formulation (VAEs). In scientific applications and in image processing it is often of interest to consider data that are…

Machine Learning · Statistics 2025-09-09 Justin Bunker , Mark Girolami , Hefin Lambley , Andrew M. Stuart , T. J. Sullivan

Scanning transmission electron microscopy (STEM) is now the primary tool for exploring functional materials on the atomic level. Often, features of interest are highly localized in specific regions in the material, such as ferroelectric…

Materials Science · Physics 2021-08-11 Nicole Creange , Ondrej Dyck , Rama K. Vasudevan , Maxim Ziatdinov , Sergei V. Kalinin

High-dimensional clinical data have become invaluable resources for genetic studies, due to their accessibility in biobank-scale datasets and the development of high performance modeling techniques especially using deep learning. Recent…

Machine Learning · Computer Science 2023-07-19 Taedong Yun

A new method for learning variational autoencoders (VAEs) is developed, based on Stein variational gradient descent. A key advantage of this approach is that one need not make parametric assumptions about the form of the encoder…

Machine Learning · Computer Science 2017-11-20 Yunchen Pu , Zhe Gan , Ricardo Henao , Chunyuan Li , Shaobo Han , Lawrence Carin

The best encoding is the one that is interpretable in nature. In this work, we introduce a novel model that incorporates an interpretable bottleneck-termed the Filter Bank (FB)-at the outset of a Variational Autoencoder (VAE). This…

Machine Learning · Statistics 2023-10-19 Óscar Jiménez Rama , Fernando Moreno-Pino , David Ramírez , Pablo M. Olmos

Variational autoencoders are among the most popular methods for distilling low-dimensional structure from high-dimensional data, making them increasingly valuable as tools for data exploration and scientific discovery. However, unlike…

Machine Learning · Computer Science 2022-01-17 Miles Martinez , John Pearson

Work in deep clustering focuses on finding a single partition of data. However, high-dimensional data, such as images, typically feature multiple interesting characteristics one could cluster over. For example, images of objects against a…

Machine Learning · Statistics 2021-11-02 Fabian Falck , Haoting Zhang , Matthew Willetts , George Nicholson , Christopher Yau , Chris Holmes

Electron microscopy techniques are instrumental in the characterization of energy storage materials, with atomic resolution images providing the detailed structural features that are needed to understand their properties. Atomically…

Materials Science · Physics 2026-04-21 Ninon Scherz , Shashwat Anand , Colin Ophus , Tucker Holstun , Mary Scott , Tara P. Mishra , Gerbrand Ceder

We study a variant of the variational autoencoder model (VAE) with a Gaussian mixture as a prior distribution, with the goal of performing unsupervised clustering through deep generative models. We observe that the known problem of…

In this paper, we propose a novel reference based image super-resolution approach via Variational AutoEncoder (RefVAE). Existing state-of-the-art methods mainly focus on single image super-resolution which cannot perform well on large…

Computer Vision and Pattern Recognition · Computer Science 2021-06-09 Zhi-Song Liu , Wan-Chi Siu , Li-Wen Wang

Extracting compact, physically interpretable representations from high-dimensional scientific data is a persistent challenge due to the complex, nonlinear structures inherent in physical systems. We propose a Gaussian Mixture Variational…

Machine Learning · Computer Science 2025-12-01 Tiffany Fan , Murray Cutforth , Marta D'Elia , Alexandre Cortiella , Alireza Doostan , Eric Darve

Variational autoencoders (VAEs) frequently suffer from posterior collapse, where the latent variables become uninformative as the approximate posterior degenerates to the prior. While recent work has characterized collapse as a phase…

Machine Learning · Computer Science 2026-05-19 Zegu Zhang , Jian Zhang

Cryo-electron microscopy (cryo-EM) has revolutionized experimental protein structure determination. Despite advances in high resolution reconstruction, a majority of cryo-EM experiments provide either a single state of the studied…

Electron and scanning probe microscopy produce vast amounts of data in the form of images or hyperspectral data, such as EELS or 4D STEM, that contain information on a wide range of structural, physical, and chemical properties of…

Machine Learning · Computer Science 2023-06-09 Arpan Biswas , Maxim Ziatdinov , Sergei V. Kalinin

Variational Autoencoders (VAEs) have been shown to be remarkably effective in recovering model latent spaces for several computer vision tasks. However, currently trained VAEs, for a number of reasons, seem to fall short in learning…

Machine Learning · Computer Science 2021-07-27 Chandrajit Bajaj , Avik Roy , Haoran Zhang

Density estimation, compression and data generation are crucial tasks in artificial intelligence. Variational Auto-Encoders (VAEs) constitute a single framework to achieve these goals. Here, we present a novel class of generative models,…

Machine Learning · Statistics 2021-07-07 Ioannis Gatopoulos , Jakub M. Tomczak

Although semi-supervised variational autoencoder (SemiVAE) works in image classification task, it fails in text classification task if using vanilla LSTM as its decoder. From a perspective of reinforcement learning, it is verified that the…

Computation and Language · Computer Science 2016-11-28 Weidi Xu , Haoze Sun , Chao Deng , Ying Tan