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Extracting insight from the enormous quantity of data generated from molecular simulations requires the identification of a small number of collective variables whose corresponding low-dimensional free-energy landscape retains the essential…

Chemical Physics · Physics 2019-12-30 Yasemin Bozkurt Varolgunes , Tristan Bereau , Joseph F. Rudzinski

Variational Auto-Encoders (VAEs) have been widely applied for learning compact, low-dimensional latent representations of high-dimensional data. When the correlation structure among data points is available, previous work proposed…

Machine Learning · Computer Science 2019-12-20 Da Tang , Dawen Liang , Nicholas Ruozzi , Tony Jebara

Data-driven reduced-order models based on autoencoders generally lack interpretability compared to classical methods such as the proper orthogonal decomposition. More interpretability can be gained by disentangling the latent variables and…

Machine Learning · Computer Science 2025-02-21 Henning Schwarz , Pyei Phyo Lin , Jens-Peter M. Zemke , Thomas Rung

Although variational autoencoders (VAE) are successfully used to obtain meaningful low-dimensional representations for high-dimensional data, the characterization of critical points of the loss function for general observation models is not…

Machine Learning · Computer Science 2021-10-12 Robert Sicks , Ralf Korn , Stefanie Schwaar

Variational autoencoders (VAE) are powerful generative models that learn the latent representations of input data as random variables. Recent studies show that VAE can flexibly learn the complex temporal dynamics of time series and achieve…

Machine Learning · Computer Science 2023-11-14 Borui Cai , Shuiqiao Yang , Longxiang Gao , Yong Xiang

We present a coupled Variational Auto-Encoder (VAE) method that improves the accuracy and robustness of the probabilistic inferences on represented data. The new method models the dependency between input feature vectors (images) and weighs…

Machine Learning · Computer Science 2025-11-25 Shichen Cao , Jingjing Li , Kenric P. Nelson , Mark A. Kon

Variational autoencoders (VAEs) are powerful deep generative models widely used to represent high-dimensional complex data through a low-dimensional latent space learned in an unsupervised manner. In the original VAE model, the input data…

Machine Learning · Computer Science 2022-07-05 Laurent Girin , Simon Leglaive , Xiaoyu Bie , Julien Diard , Thomas Hueber , Xavier Alameda-Pineda

As deep Variational Auto-Encoder (VAE) frameworks become more widely used for modeling biomolecular simulation data, we emphasize the capability of the VAE architecture to concurrently maximize the timescale of the latent space while…

Chemical Physics · Physics 2021-12-08 Hannah K. Wayment-Steele , Vijay S. Pande

Variational autoencoders (VAEs) combine latent variables with amortized variational inference, whose optimization usually converges into a trivial local optimum termed posterior collapse, especially in text modeling. By tracking the…

Computation and Language · Computer Science 2020-04-21 Chen Wu , Prince Zizhuang Wang , William Yang Wang

VAEs (Variational AutoEncoders) have proved to be powerful in the context of density modeling and have been used in a variety of contexts for creative purposes. In many settings, the data we model possesses continuous attributes that we…

Machine Learning · Computer Science 2017-07-18 Gaëtan Hadjeres , Frank Nielsen , François Pachet

Learning interpretable and disentangled representations of data is a key topic in machine learning research. Variational Autoencoder (VAE) is a scalable method for learning directed latent variable models of complex data. It employs a clear…

Machine Learning · Computer Science 2020-06-04 Andriy Serdega , Dae-Shik Kim

A fully disentangled variational auto-encoder (VAE) aims to identify disentangled latent components from observations. However, enforcing full independence between all latent components may be too strict for certain datasets. In some cases,…

Machine Learning · Computer Science 2025-02-05 Chengrui Li , Yunmiao Wang , Yule Wang , Weihan Li , Dieter Jaeger , Anqi Wu

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

We would like to learn a representation of the data which decomposes an observation into factors of variation which we can independently control. Specifically, we want to use minimal supervision to learn a latent representation that…

Machine Learning · Computer Science 2017-05-25 Diane Bouchacourt , Ryota Tomioka , Sebastian Nowozin

Variational Autoencoders (VAEs) have become a popular approach for dimensionality reduction. However, despite their ability to identify latent low-dimensional structures embedded within high-dimensional data, these latent representations…

Machine Learning · Statistics 2020-08-27 Kaspar Märtens , Christopher Yau

The variational autoencoder (VAE) is a well-studied, deep, latent-variable model (DLVM) that efficiently optimizes the variational lower bound of the log marginal data likelihood and has a strong theoretical foundation. However, the VAE's…

Machine Learning · Computer Science 2024-10-08 Surojit Saha , Sarang Joshi , Ross Whitaker

The Variational Autoencoder (VAE) has proven to be an effective model for producing semantically meaningful latent representations for natural data. However, it has thus far seen limited application to sequential data, and, as we…

Machine Learning · Computer Science 2019-11-12 Adam Roberts , Jesse Engel , Colin Raffel , Curtis Hawthorne , Douglas Eck

This paper reviews the novel concept of controllable variational autoencoder (ControlVAE), discusses its parameter tuning to meet application needs, derives its key analytic properties, and offers useful extensions and applications.…

Machine Learning · Computer Science 2020-11-04 Huajie Shao , Zhisheng Xiao , Shuochao Yao , Aston Zhang , Shengzhong Liu , Tarek Abdelzaher

Variational Autoencoders (VAEs) provide a flexible and scalable framework for non-linear dimensionality reduction. However, in application domains such as genomics where data sets are typically tabular and high-dimensional, a black-box…

Machine Learning · Statistics 2020-03-10 Kaspar Märtens , Christopher Yau

Predicting customers' long-term revenue from sparse and irregular transaction data is central to marketing resource allocation in non-contractual settings, yet existing approaches face a trade-off. Traditional probabilistic customer base…

Machine Learning · Statistics 2026-04-27 Jeffrey Näf , Riana Valera Mbelson , Markus Meierer