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Identifying molecules that exhibit some pre-specified properties is a difficult problem to solve. In the last few years, deep generative models have been used for molecule generation. Deep Graph Variational Autoencoders are among the most…

Machine Learning · Computer Science 2023-06-09 Davide Rigoni , Nicolò Navarin , Alessandro Sperduti

In this paper we propose a model that combines the strengths of RNNs and SGVB: the Variational Recurrent Auto-Encoder (VRAE). Such a model can be used for efficient, large scale unsupervised learning on time series data, mapping the time…

Machine Learning · Statistics 2015-06-16 Otto Fabius , Joost R. van Amersfoort

Sequence-to-sequence (Seq2seq) models have played an important role in the recent success of various natural language processing methods, such as machine translation, text summarization, and speech recognition. However, current Seq2seq…

Computation and Language · Computer Science 2018-06-05 Myeongjun Jang , Seungwan Seo , Pilsung Kang

Biological sequence design (DNA, RNA, or peptides) with desired functional properties has applications in discovering novel nanomaterials, biosensors, antimicrobial drugs, and beyond. One common challenge is the ability to optimize complex…

Quantitative Methods · Quantitative Biology 2025-12-17 Elham Sadeghi , Xianqi Deng , I-Hsin Lin , Stacy M. Copp , Petko Bogdanov

RNA design aims to identify RNA sequences that fold into a target secondary structure. This task is challenging in terms of computational efficiency. Most existing methods focus on either minimum free energy (MFE)-based or ensemble-based…

Biomolecules · Quantitative Biology 2026-03-04 Tianshuo Zhou , David H. Mathews , Liang Huang

We present a syntax-infused variational autoencoder (SIVAE), that integrates sentences with their syntactic trees to improve the grammar of generated sentences. Distinct from existing VAE-based text generative models, SIVAE contains two…

Machine Learning · Statistics 2019-06-11 Xinyuan Zhang , Yi Yang , Siyang Yuan , Dinghan Shen , Lawrence Carin

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

Deep generative models have been enjoying success in modeling continuous data. However it remains challenging to capture the representations for discrete structures with formal grammars and semantics, e.g., computer programs and molecular…

Machine Learning · Computer Science 2018-02-27 Hanjun Dai , Yingtao Tian , Bo Dai , Steven Skiena , Le Song

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

Generative models of graphs are well-known, but many existing models are limited in scalability and expressivity. We present a novel sequential graphical variational autoencoder operating directly on graphical representations of data. In…

Machine Learning · Computer Science 2019-12-18 Bowen Jing , Ethan A. Chi , Jillian Tang

Machine learning on trees has been mostly focused on trees as input to algorithms. Much less research has investigated trees as output, which has many applications, such as molecule optimization for drug discovery, or hint generation for…

Machine Learning · Computer Science 2022-02-11 Benjamin Paassen , Irena Koprinska , Kalina Yacef

The problem of RNA secondary structure design (also called inverse folding) is the following: given a target secondary structure, one aims to create a sequence that folds into, or is compatible with, a given structure. In several practical…

Quantitative Methods · Quantitative Biology 2013-08-02 Yu Zhou , Yann Ponty , Stéphane Vialette , Jérôme Waldispühl , Yi Zhang , Alain Denise

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

Variational Auto-Encoder (VAE) has been widely adopted in text generation. Among many variants, recurrent VAE learns token-wise latent variables with each conditioned on the preceding ones, which captures sequential variability better in…

Computation and Language · Computer Science 2022-11-24 Jinyi Hu , Xiaoyuan Yi , Wenhao Li , Maosong Sun , Xing Xie

We propose Tree Variational Autoencoder (TreeVAE), a new generative hierarchical clustering model that learns a flexible tree-based posterior distribution over latent variables. TreeVAE hierarchically divides samples according to their…

Machine Learning · Computer Science 2023-11-20 Laura Manduchi , Moritz Vandenhirtz , Alain Ryser , Julia Vogt

This paper presents a generative approach to speech enhancement based on a recurrent variational autoencoder (RVAE). The deep generative speech model is trained using clean speech signals only, and it is combined with a nonnegative matrix…

Machine Learning · Computer Science 2020-02-11 Simon Leglaive , Xavier Alameda-Pineda , Laurent Girin , Radu Horaud

Recent studies have shown that autoencoder-based models can achieve superior performance on anomaly detection tasks due to their excellent ability to fit complex data in an unsupervised manner. In this work, we propose a novel…

Machine Learning · Computer Science 2022-09-20 Wenkai Li , Wenbo Hu , Ting Chen , Ning Chen , Cheng Feng

Structured variational autoencoders (SVAEs) combine probabilistic graphical model priors on latent variables, deep neural networks to link latent variables to observed data, and structure-exploiting algorithms for approximate posterior…

Machine Learning · Statistics 2023-05-29 Yixiu Zhao , Scott W. Linderman

Deep generative models have been used in recent years to learn coherent latent representations in order to synthesize high-quality images. In this work, we propose a neural network to learn a generative model for sampling consistent indoor…

Computer Vision and Pattern Recognition · Computer Science 2020-08-24 Pulak Purkait , Christopher Zach , Ian Reid

We present a VAE architecture for encoding and generating high dimensional sequential data, such as video or audio. Our deep generative model learns a latent representation of the data which is split into a static and dynamic part, allowing…

Machine Learning · Computer Science 2018-06-13 Yingzhen Li , Stephan Mandt
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