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In this work we introduce an Autoencoder for molecular conformations. Our proposed model converts the discrete spatial arrangements of atoms in a given molecular graph (conformation) into and from a continuous fixed-sized latent…

Machine Learning · Computer Science 2021-01-06 Robin Winter , Frank Noé , Djork-Arné Clevert

Recently, there has been great success in applying deep neural networks on graph structured data. Most work, however, focuses on either node- or graph-level supervised learning, such as node, link or graph classification or node-level…

Machine Learning · Computer Science 2021-12-15 Robin Winter , Frank Noé , Djork-Arné Clevert

We introduce the variational graph auto-encoder (VGAE), a framework for unsupervised learning on graph-structured data based on the variational auto-encoder (VAE). This model makes use of latent variables and is capable of learning…

Machine Learning · Statistics 2016-11-23 Thomas N. Kipf , Max Welling

Paradoxically, a Variational Autoencoder (VAE) could be pushed in two opposite directions, utilizing powerful decoder model for generating realistic images but collapsing the learned representation, or increasing regularization coefficient…

Machine Learning · Computer Science 2022-03-30 Trung Ngo , Najwa Laabid , Ville Hautamäki , Merja Heinäniemi

Multi-view data from the same source often exhibit correlation. This is mirrored in correlation between the latent spaces of separate variational autoencoders (VAEs) trained on each data-view. A multi-view VAE approach is proposed that…

Machine Learning · Statistics 2025-08-01 Ella S. C. Orme , Marina Evangelou , Ulrich Paquet

We introduce a novel one-parameter variational objective that lower bounds the data evidence and enables the estimation of approximate fractional posteriors. We extend this framework to hierarchical construction and Bayes posteriors,…

Machine Learning · Computer Science 2026-03-31 Kian Ming A. Chai , Edwin V. Bonilla

We propose a novel algorithm for quantizing continuous latent representations in trained models. Our approach applies to deep probabilistic models, such as variational autoencoders (VAEs), and enables both data and model compression. Unlike…

Image and Video Processing · Electrical Eng. & Systems 2020-09-09 Yibo Yang , Robert Bamler , Stephan Mandt

Variational autoencoders (VAEs) suffer from posterior collapse, where the powerful neural networks used for modeling and inference optimize the objective without meaningfully using the latent representation. We introduce inference critics…

Machine Learning · Computer Science 2022-07-21 Sachit Menon , David Blei , Carl Vondrick

Variational Autoencoders (VAEs) are powerful generative models capable of learning compact latent representations. However, conventional VAEs often generate relatively blurry images due to their assumption of an isotropic Gaussian latent…

Computer Vision and Pattern Recognition · Computer Science 2025-04-21 Andrew Kiruluta

It has been previously observed that training Variational Recurrent Autoencoders (VRAE) for text generation suffers from serious uninformative latent variables problem. The model would collapse into a plain language model that totally…

Computation and Language · Computer Science 2019-11-20 Dayiheng Liu , Xu Yang , Feng He , Yuanyuan Chen , Jiancheng Lv

Learning predictors that do not rely on spurious correlations involves building causal representations. However, learning such a representation is very challenging. We, therefore, formulate the problem of learning a causal representation…

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

In this paper we explore the effect of architectural choices on learning a Variational Autoencoder (VAE) for text generation. In contrast to the previously introduced VAE model for text where both the encoder and decoder are RNNs, we…

Computation and Language · Computer Science 2017-02-09 Stanislau Semeniuta , Aliaksei Severyn , Erhardt Barth

The key idea of variational auto-encoders (VAEs) resembles that of traditional auto-encoder models in which spatial information is supposed to be explicitly encoded in the latent space. However, the latent variables in VAEs are vectors,…

Machine Learning · Computer Science 2019-01-23 Zhengyang Wang , Hao Yuan , Shuiwang Ji

This work proposed kernel selection approaches for probabilistic classifiers based on features produced by the convolutional encoder of a variational autoencoder. Particularly, the developed methodologies allow the selection of the most…

Machine Learning · Computer Science 2025-08-05 Fábio Mendonça , Sheikh Shanawaz Mostafa , Fernando Morgado-Dias , Antonio G. Ravelo-García

This work explores the tensor and combinatorial constructs underlying the linearised higher-order variational equations of a generic autonomous system along a particular solution. The main result of this paper is a compact yet explicit and…

Exactly Solvable and Integrable Systems · Physics 2015-02-11 Sergi Simon

We extend variational autoencoders (VAEs) to collaborative filtering for implicit feedback. This non-linear probabilistic model enables us to go beyond the limited modeling capacity of linear factor models which still largely dominate…

Machine Learning · Statistics 2018-02-19 Dawen Liang , Rahul G. Krishnan , Matthew D. Hoffman , Tony Jebara

We combine conditional variational autoencoders (VAE) with adversarial censoring in order to learn invariant representations that are disentangled from nuisance/sensitive variations. In this method, an adversarial network attempts to…

Machine Learning · Computer Science 2018-05-22 Ye Wang , Toshiaki Koike-Akino , Deniz Erdogmus

One major challenge of disentanglement learning with variational autoencoders is the trade-off between disentanglement and reconstruction fidelity. Previous studies, which increase the information bottleneck during training, tend to lose…

Machine Learning · Computer Science 2023-10-05 Jiantao Wu , Shentong Mo , Xiang Yang , Muhammad Awais , Sara Atito , Xingshen Zhang , Lin Wang , Xiang Yang

Integrating compositional and symbolic properties into current distributional semantic spaces can enhance the interpretability, controllability, compositionality, and generalisation capabilities of Transformer-based auto-regressive language…

Computation and Language · Computer Science 2026-04-16 Yingji Zhang , Danilo S. Carvalho , André Freitas