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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

Stochastic processes provide a mathematically elegant way model complex data. In theory, they provide flexible priors over function classes that can encode a wide range of interesting assumptions. In practice, however, efficient inference…

Machine Learning · Computer Science 2022-09-15 Swapnil Mishra , Seth Flaxman , Tresnia Berah , Harrison Zhu , Mikko Pakkanen , Samir Bhatt

We investigate the problem of learning representations that are invariant to certain nuisance or sensitive factors of variation in the data while retaining as much of the remaining information as possible. Our model is based on a…

Machine Learning · Statistics 2017-08-11 Christos Louizos , Kevin Swersky , Yujia Li , Max Welling , Richard Zemel

The variational autoencoder (VAE) is a popular, deep, latent-variable model (DLVM) due to its simple yet effective formulation for modeling the data distribution. Moreover, optimizing the VAE objective function is more manageable than other…

Machine Learning · Computer Science 2025-01-28 Surojit Saha , Sarang Joshi , Ross Whitaker

Longitudinal datasets measured repeatedly over time from individual subjects, arise in many biomedical, psychological, social, and other studies. A common approach to analyse high-dimensional data that contains missing values is to learn a…

Machine Learning · Statistics 2021-04-21 Siddharth Ramchandran , Gleb Tikhonov , Kalle Kujanpää , Miika Koskinen , Harri Lähdesmäki

Video Variational Autoencoder (VAE) enables latent video generative modeling by mapping the visual world into compact spatiotemporal latent spaces, improving training efficiency and stability. While existing video VAEs achieve commendable…

Computer Vision and Pattern Recognition · Computer Science 2026-05-05 Yian Zhao , Feng Wang , Qiushan Guo , Chang Liu , Xiangyang Ji , Jian Zhang , Jie Chen

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

Popular generative model learning methods such as Generative Adversarial Networks (GANs), and Variational Autoencoders (VAE) enforce the latent representation to follow simple distributions such as isotropic Gaussian. In this paper, we…

Machine Learning · Computer Science 2018-03-15 Cem Subakan , Oluwasanmi Koyejo , Paris Smaragdis

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

Deep probabilistic generative models have achieved incredible success in many fields of application. Among such models, variational autoencoders (VAEs) have proved their ability in modeling a generative process by learning a latent…

Machine Learning · Computer Science 2022-12-16 Eleonora Grassucci , Danilo Comminiello , Aurelio Uncini

Variational autoencoders (VAEs) are a popular framework for modeling complex data distributions; they can be efficiently trained via variational inference by maximizing the evidence lower bound (ELBO), at the expense of a gap to the exact…

When training a variational autoencoder (VAE) on a given dataset, determining the optimal number of latent variables is mostly done by grid search: a costly process in terms of computational time and carbon footprint. In this paper, we…

Machine Learning · Computer Science 2022-09-27 Lisa Bonheme , Marek Grzes

Latent variable generative models have emerged as powerful tools for generative tasks including image and video synthesis. These models are enabled by pretrained autoencoders that map high resolution data into a compressed lower dimensional…

Computer Vision and Pattern Recognition · Computer Science 2025-06-13 Mohammed Suhail , Carlos Esteves , Leonid Sigal , Ameesh Makadia

In this study, an image-assisted Approximate Bayesian Computation (ABC) parameter inverse method is proposed to identify the design parameters. In the proposed method, the images are mapped to a low-dimensional latent space by Variational…

Image and Video Processing · Electrical Eng. & Systems 2019-07-09 Jiaquan Wang , Yang Zeng , Xinchao Jiang , Hu Wang , Enying Li , Guangyao Li

Discrete latent bottlenecks in variational autoencoders (VAEs) offer high bit efficiency and can be modeled with autoregressive discrete distributions, enabling parameter-efficient multimodal search with transformers. However, discrete…

Machine Learning · Computer Science 2026-02-12 Michael Drolet , Firas Al-Hafez , Aditya Bhatt , Jan Peters , Oleg Arenz

The ability to extract generative parameters from high-dimensional fields of data in an unsupervised manner is a highly desirable yet unrealized goal in computational physics. This work explores the use of variational autoencoders (VAEs)…

Computational Physics · Physics 2021-11-16 Christian Jacobsen , Karthik Duraisamy

The Variational Autoencoder (VAE) is a powerful architecture capable of representation learning and generative modeling. When it comes to learning interpretable (disentangled) representations, VAE and its variants show unparalleled…

Machine Learning · Computer Science 2019-04-17 Michal Rolinek , Dominik Zietlow , Georg Martius

The generation of discontinuous distributions is a difficult task for most known frameworks such as generative autoencoders and generative adversarial networks. Generative non-invertible models are unable to accurately generate such…

Machine Learning · Computer Science 2021-12-20 Mariia Drozdova , Vitaliy Kinakh , Guillaume Quétant , Tobias Golling , Slava Voloshynovskiy

Variational autoencoders (VAE) are a powerful and widely-used class of models to learn complex data distributions in an unsupervised fashion. One important limitation of VAEs is the prior assumption that latent sample representations are…

Machine Learning · Computer Science 2018-11-27 Francesco Paolo Casale , Adrian V Dalca , Luca Saglietti , Jennifer Listgarten , Nicolo Fusi

Recently there has been an increased interest in unsupervised learning of disentangled representations using the Variational Autoencoder (VAE) framework. Most of the existing work has focused largely on modifying the variational cost…

Machine Learning · Statistics 2019-09-12 Jan Stühmer , Richard E. Turner , Sebastian Nowozin
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