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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…

化学物理 · 物理学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

化学物理 · 物理学 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…

计算与语言 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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,…

机器学习 · 计算机科学 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…

机器学习 · 统计学 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…

机器学习 · 计算机科学 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…

机器学习 · 统计学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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.…

机器学习 · 计算机科学 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…

机器学习 · 统计学 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…

机器学习 · 统计学 2026-04-27 Jeffrey Näf , Riana Valera Mbelson , Markus Meierer