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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 very successful as methods for forming compressed latent representations of complex, often high-dimensional, data. In this paper, we derive an alternative variational lower bound from the one…

机器学习 · 计算机科学 2019-03-20 Shuyu Lin , Ronald Clark , Robert Birke , Niki Trigoni , Stephen Roberts

Many different methods to train deep generative models have been introduced in the past. In this paper, we propose to extend the variational auto-encoder (VAE) framework with a new type of prior which we call "Variational Mixture of…

机器学习 · 计算机科学 2018-02-27 Jakub M. Tomczak , Max Welling

Heavy-tailed distributions are ubiquitous in real-world data, where rare but extreme events dominate risk and variability. However, standard Variational Autoencoders (VAEs) employ simple decoder distributions, such as Gaussian…

机器学习 · 计算机科学 2026-05-27 Abdelhakim Ziani , András Horváth , Paolo Ballarini

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

In this paper we present a new implementation of a Variational Autoencoder (VAE) for the calibration of sensors. We propose that the VAE can be used to calibrate sensor data by training the latent space as a calibration output. We discuss…

机器学习 · 计算机科学 2025-11-04 Travis Barrett , Amit Kumar Mishra , Joyce Mwangama

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…

机器学习 · 计算机科学 2022-03-02 Gregory A. Daly , Jonathan E. Fieldsend , Gavin Tabor

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

The manifold hypothesis states that many kinds of high-dimensional data are concentrated near a low-dimensional manifold. If the topology of this data manifold is non-trivial, a continuous encoder network cannot embed it in a one-to-one…

Neural networks are used for channel decoding, channel detection, channel evaluation, and resource management in multi-input and multi-output (MIMO) wireless communication systems. In this paper, we consider the problem of finding precoding…

信号处理 · 电气工程与系统科学 2022-05-06 Evgeny Bobrov , Alexander Markov , Sviatoslav Panchenko , Dmitry Vetrov

Euclidean geometry has historically been the typical "workhorse" for machine learning applications due to its power and simplicity. However, it has recently been shown that geometric spaces with constant non-zero curvature improve…

机器学习 · 计算机科学 2020-02-14 Ondrej Skopek , Octavian-Eugen Ganea , Gary Bécigneul

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…

机器学习 · 统计学 2020-01-13 Lars Maaløe , Marco Fraccaro , Valentin Liévin , Ole Winther

Learning disentanglement aims at finding a low dimensional representation which consists of multiple explanatory and generative factors of the observational data. The framework of variational autoencoder (VAE) is commonly used to…

机器学习 · 计算机科学 2023-12-20 Mengyue Yang , Furui Liu , Zhitang Chen , Xinwei Shen , Jianye Hao , Jun Wang

Disentangled representation learning aims to represent the underlying generative factors of a dataset in a latent representation independently of one another. In our work, we propose a discrete variational autoencoder (VAE) based model…

计算机视觉与模式识别 · 计算机科学 2025-11-06 Gulcin Baykal , Melih Kandemir , Gozde Unal

Variational Autoencoder is a scalable method for learning latent variable models of complex data. It employs a clear objective that can be easily optimized. However, it does not explicitly measure the quality of learned representations. We…

机器学习 · 计算机科学 2020-05-29 Andriy Serdega , Dae-Shik Kim

Traditional computational authorship attribution describes a classification task in a closed-set scenario. Given a finite set of candidate authors and corresponding labeled texts, the objective is to determine which of the authors has…

机器学习 · 计算机科学 2020-05-29 Benedikt Boenninghoff , Steffen Zeiler , Robert M. Nickel , Dorothea Kolossa

We present two deep generative models based on Variational Autoencoders to improve the accuracy of drug response prediction. Our models, Perturbation Variational Autoencoder and its semi-supervised extension, Drug Response Variational…

机器学习 · 统计学 2017-07-07 Ladislav Rampasek , Daniel Hidru , Petr Smirnov , Benjamin Haibe-Kains , Anna Goldenberg

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…

机器学习 · 计算机科学 2022-08-24 Kisoo Kwon , Kuhwan Jung , Junghyun Park , Hwidong Na , Jinwoo Shin

Bayesian optimisation in the latent space of a Variational AutoEncoder (VAE) is a powerful framework for optimisation tasks over complex structured domains, such as the space of scientifically interesting molecules. However, existing…

机器学习 · 计算机科学 2025-07-08 Henry B. Moss , Sebastian W. Ober , Tom Diethe

Variational auto-encoders (VAE) are popular deep latent variable models which are trained by maximizing an Evidence Lower Bound (ELBO). To obtain tighter ELBO and hence better variational approximations, it has been proposed to use…

机器学习 · 统计学 2021-07-22 Achille Thin , Nikita Kotelevskii , Arnaud Doucet , Alain Durmus , Eric Moulines , Maxim Panov