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In this paper, we investigate the problem of string-based molecular generation via variational autoencoders (VAEs) that have served a popular generative approach for various tasks in artificial intelligence. We propose a simple, yet…

Machine Learning · Computer Science 2022-08-24 Kisoo Kwon , Kuhwan Jung , Junghyun Park , Hwidong Na , Jinwoo Shin

Variational autoencoders (VAEs), that are built upon deep neural networks have emerged as popular generative models in computer vision. Most of the work towards improving variational autoencoders has focused mainly on making the…

Machine Learning · Statistics 2016-11-17 Siddharth Agrawal , Ambedkar Dukkipati

Constructing a compressed latent space through a variational autoencoder (VAE) is the key for efficient 3D diffusion models. This paper introduces COD-VAE that encodes 3D shapes into a COmpact set of 1D latent vectors without sacrificing…

Computer Vision and Pattern Recognition · Computer Science 2025-07-29 In Cho , Youngbeom Yoo , Subin Jeon , Seon Joo Kim

The Gaussianity assumption has been consistently criticized as a main limitation of the Variational Autoencoder (VAE) despite its efficiency in computational modeling. In this paper, we propose a new approach that expands the model capacity…

Machine Learning · Statistics 2023-10-30 Seunghwan An , Jong-June Jeon

Deep generative models have demonstrated successful applications in learning non-linear data distributions through a number of latent variables and these models use a nonlinear function (generator) to map latent samples into the data space.…

Computer Vision and Pattern Recognition · Computer Science 2023-04-04 Pourya Shamsolmoali , Masoumeh Zareapoor , Huiyu Zhou , Dacheng Tao , Xuelong Li

While cloud-resolving models can explicitly simulate the details of small-scale storm formation and morphology, these details are often ignored by climate models for lack of computational resources. Here, we explore the potential of…

Atmospheric and Oceanic Physics · Physics 2020-10-27 Griffin Mooers , Jens Tuyls , Stephan Mandt , Michael Pritchard , Tom Beucler

Modern generative models are usually designed to match target distributions directly in the data space, where the intrinsic dimension of data can be much lower than the ambient dimension. We argue that this discrepancy may contribute to the…

Machine Learning · Computer Science 2020-07-02 Zijun Zhang , Ruixiang Zhang , Zongpeng Li , Yoshua Bengio , Liam Paull

This paper introduces a new interpretation of the Variational Autoencoder framework by taking a fully geometric point of view. We argue that vanilla VAE models unveil naturally a Riemannian structure in their latent space and that taking…

Machine Learning · Statistics 2022-11-04 Clément Chadebec , Stéphanie Allassonnière

In this paper, we explore the use of a variational autoencoder (VAE), a deep generative model, to compress and generate images of dark matter density fields from $\Lambda$CDM like cosmological simulations. The VAE learns a compact,…

Cosmology and Nongalactic Astrophysics · Physics 2025-07-25 Jazhiel Chacón-Lavanderos , Isidro Gómez-Vargas , Ricardo Menchaca-Mendez , J. Alberto Vázquez

Deep generative models offer powerful tools for multivariate data analysis, but their black-box architectures are often unidentified and difficult to interpret. We introduce the Deep Discrete Encoder (DDE) Copula, an identifiable and…

Machine Learning · Statistics 2026-05-28 Joseph Feldman , Yuqi Gu

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

Vine copulas are a flexible tool for high-dimensional dependence modeling. In this article, we discuss the generation of approximate model-X knockoffs with vine copulas. It is shown how Gaussian knockoffs can be generalized to Gaussian…

Methodology · Statistics 2022-10-21 Malte S. Kurz

Modeling high-dimensional dependencies while keeping likelihoods tractable remains challenging. Classical vine-copula pipelines are interpretable but can be expensive, while many neural estimators are flexible but less structured. In this…

Machine Learning · Computer Science 2026-05-08 Houman Safaai

With the introduction of the variational autoencoder (VAE), probabilistic latent variable models have received renewed attention as powerful generative models. However, their performance in terms of test likelihood and quality of generated…

Machine Learning · Statistics 2020-01-13 Lars Maaløe , Marco Fraccaro , Valentin Liévin , Ole Winther

Variational autoencdoers (VAE) are a popular approach to generative modelling. However, exploiting the capabilities of VAEs in practice can be difficult. Recent work on regularised and entropic autoencoders have begun to explore the…

Machine Learning · Computer Science 2022-03-02 Gregory A. Daly , Jonathan E. Fieldsend , Gavin Tabor

The variational autoencoder (VAE; Kingma, Welling (2014)) is a recently proposed generative model pairing a top-down generative network with a bottom-up recognition network which approximates posterior inference. It typically makes strong…

Machine Learning · Computer Science 2016-11-08 Yuri Burda , Roger Grosse , Ruslan Salakhutdinov

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

Variational Autoencoders (VAEs) provide a theoretically-backed and popular framework for deep generative models. However, learning a VAE from data poses still unanswered theoretical questions and considerable practical challenges. In this…

Machine Learning · Computer Science 2020-06-01 Partha Ghosh , Mehdi S. M. Sajjadi , Antonio Vergari , Michael Black , Bernhard Schölkopf

Variational auto-encoders are powerful probabilistic models in generative tasks but suffer from generating low-quality samples which are caused by the holes in the prior. We propose the Coupled Variational Auto-Encoder (C-VAE), which…

Machine Learning · Statistics 2023-06-06 Xiaoran Hao , Patrick Shafto

Variational autoencoder (VAE) is a widely used generative model for learning latent representations. Burda et al. in their seminal paper showed that learning capacity of VAE is limited by over-pruning. It is a phenomenon where a significant…

Machine Learning · Computer Science 2020-08-10 Rayyan Ahmad Khan , Muhammad Umer Anwaar , Martin Kleinsteuber