English
Related papers

Related papers: Conditional $\beta$-VAE for De Novo Molecular Gene…

200 papers

One of the major shortcomings of variational autoencoders is the inability to produce generations from the individual modalities of data originating from mixture distributions. This is primarily due to the use of a simple isotropic Gaussian…

Machine Learning · Computer Science 2019-12-02 Frantzeska Lavda , Magda Gregorová , Alexandros Kalousis

Generating novel drug molecules with desired biological properties is a time consuming and complex task. Conditional generative adversarial models have recently been proposed as promising approaches for de novo drug design. In this paper,…

Quantitative Methods · Quantitative Biology 2021-10-26 Yuansan Liu , James Bailey

Estimation of Distribution Algorithms (EDAs) require flexible probability models that can be efficiently learned and sampled. Autoencoders (AE) are generative stochastic networks with these desired properties. We integrate a special type of…

Neural and Evolutionary Computing · Computer Science 2015-09-22 Malte Probst

Recent work in synthetic data generation in the time-series domain has focused on the use of Generative Adversarial Networks. We propose a novel architecture for synthetically generating time-series data with the use of Variational…

Machine Learning · Computer Science 2021-12-08 Abhyuday Desai , Cynthia Freeman , Zuhui Wang , Ian Beaver

Variational autoencoders (VAEs) are powerful tools for learning latent representations of data used in a wide range of applications. In practice, VAEs usually require multiple training rounds to choose the amount of information the latent…

Machine Learning · Computer Science 2023-08-21 Juhan Bae , Michael R. Zhang , Michael Ruan , Eric Wang , So Hasegawa , Jimmy Ba , Roger Grosse

Variational Autoencoders (VAEs) typically rely on a probabilistic decoder with a predefined likelihood, most commonly an isotropic Gaussian, to model the data conditional on latent variables. While convenient for optimization, this choice…

Machine Learning · Statistics 2025-04-29 Chen Xu , Qiang Wang , Lijun Sun

Recent work in adversarial attacks has developed provably robust methods for training deep neural network classifiers. However, although they are often mentioned in the context of robustness, deep generative models themselves have received…

Machine Learning · Computer Science 2020-04-23 Filipe Condessa , Zico Kolter

There are many problems in physics, biology, and other natural sciences in which symbolic regression can provide valuable insights and discover new laws of nature. A widespread Deep Neural Networks do not provide interpretable solutions.…

Machine Learning · Computer Science 2023-01-18 Sergei Popov , Mikhail Lazarev , Vladislav Belavin , Denis Derkach , Andrey Ustyuzhanin

Variational autoencoder (VAE) neural networks can be trained to generate power system states that capture both marginal distribution and multivariate dependencies of historical data. The coordinates of the latent space codes of VAEs have…

Systems and Control · Electrical Eng. & Systems 2023-03-22 Chenguang Wang , Ensieh Sharifnia , Simon H. Tindemans , Peter Palensky

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

Deep generative models have emerged as a powerful tool for learning useful molecular representations and designing novel molecules with desired properties, with applications in drug discovery and material design. However, most existing deep…

We introduce a method combining variational autoencoders (VAEs) and deep metric learning to perform Bayesian optimisation (BO) over high-dimensional and structured input spaces. By adapting ideas from deep metric learning, we use label…

Although variational autoencoders (VAEs) represent a widely influential deep generative model, many aspects of the underlying energy function remain poorly understood. In particular, it is commonly believed that Gaussian encoder/decoder…

Machine Learning · Computer Science 2019-10-31 Bin Dai , David Wipf

While the beta-VAE family is aiming to find disentangled representations and acquire human-interpretable generative factors, like what an ICA (from the linear domain) does, we propose Full Encoder, a novel unified autoencoder framework as a…

Machine Learning · Computer Science 2021-07-14 Zhouzheng Li , Kun Feng

Artificial Intelligence in healthcare is a new and exciting frontier and the possibilities are endless. With deep learning approaches beating human performances in many areas, the logical next step is to attempt their application in the…

Machine Learning · Computer Science 2018-08-21 Ally Salim

Variational autoencoders (VAEs) typically encode images into a compact latent space, reducing computational cost but introducing an optimization dilemma: a higher-dimensional latent space improves reconstruction fidelity but often hampers…

Computer Vision and Pattern Recognition · Computer Science 2025-11-18 Xunzhi Xiang , Xingye Tian , Guiyu Zhang , Yabo Chen , Shaofeng Zhang , Xuebo Wang , Xin Tao , Qi Fan

Recent advances in Deep Learning and probabilistic modeling have led to strong improvements in generative models for images. On the one hand, Generative Adversarial Networks (GANs) have contributed a highly effective adversarial learning…

Computer Vision and Pattern Recognition · Computer Science 2018-08-14 Yang He , Bernt Schiele , Mario Fritz

Due to the phenomenon of "posterior collapse," current latent variable generative models pose a challenging design choice that either weakens the capacity of the decoder or requires augmenting the objective so it does not only maximize the…

Machine Learning · Computer Science 2019-01-14 Ali Razavi , Aäron van den Oord , Ben Poole , Oriol Vinyals

Generative models have attracted significant interest due to their ability to handle uncertainty by learning the inherent data distributions. However, two prominent generative models, namely Generative Adversarial Networks (GANs) and…

Machine Learning · Computer Science 2023-04-25 Yu Wang , Zhiwei Liu , Liangwei Yang , Philip S. Yu

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