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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

The interpretability of generative models is considered a key factor in demonstrating their effectiveness and controllability. The generated data are believed to be determined by latent variables that are not directly observable. Therefore,…

Machine Learning · Statistics 2025-08-14 Yuan-Hao Wei , Fu-Hao Deng , Lin-Yong Cui , Yan-Jie Sun

Existing vector quantization (VQ) based autoregressive models follow a two-stage generation paradigm that first learns a codebook to encode images as discrete codes, and then completes generation based on the learned codebook. However, they…

Computer Vision and Pattern Recognition · Computer Science 2023-05-22 Mengqi Huang , Zhendong Mao , Zhuowei Chen , Yongdong Zhang

Variational autoencoder (VAE) is a popular method for drug discovery and various architectures and pipelines have been proposed to improve its performance. However, VAE approaches are known to suffer from poor manifold recovery when the…

Machine Learning · Computer Science 2023-09-12 Chenghui Zhou , Barnabas Poczos

Molecular generation conditioned on textual descriptions is a fundamental task in computational chemistry and drug discovery. Existing methods often struggle to simultaneously ensure high-quality, diverse generation and fast inference. In…

Machine Learning · Computer Science 2025-08-08 Md Atik Ahamed , Qiang Ye , Qiang Cheng

Deep latent variable models (LVM) such as variational auto-encoder (VAE) have recently played an important role in text generation. One key factor is the exploitation of smooth latent structures to guide the generation. However, the…

Machine Learning · Computer Science 2019-12-02 Le Fang , Chunyuan Li , Jianfeng Gao , Wen Dong , Changyou Chen

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…

Machine Learning · Computer Science 2023-12-20 Mengyue Yang , Furui Liu , Zhitang Chen , Xinwei Shen , Jianye Hao , Jun Wang

Recently, machine learning methods have been used to propose molecules with desired properties, which is especially useful for exploring large chemical spaces efficiently. However, these methods rely on fully labelled training data, and are…

Chemical Physics · Physics 2023-08-16 Jonathan P. Mailoa , Xin Li , Jiezhong Qiu , Shengyu Zhang

Generative modeling and clustering are conventionally distinct tasks in machine learning. Variational Autoencoders (VAEs) have been widely explored for their ability to integrate both, providing a framework for generative clustering.…

Computer Vision and Pattern Recognition · Computer Science 2025-10-15 Jorge da Silva Gonçalves , Laura Manduchi , Moritz Vandenhirtz , Julia E. Vogt

Detecting navigable space is the first and also a critical step for successful robot navigation. In this work, we treat the visual navigable space segmentation as a scene decomposition problem and propose a new network, NSS-VAEs (Navigable…

Robotics · Computer Science 2021-11-03 Zheng Chen , Lantao Liu

Variational autoencoders are among the most popular methods for distilling low-dimensional structure from high-dimensional data, making them increasingly valuable as tools for data exploration and scientific discovery. However, unlike…

Machine Learning · Computer Science 2022-01-17 Miles Martinez , John Pearson

Molecule generation is to design new molecules with specific chemical properties and further to optimize the desired chemical properties. Following previous work, we encode molecules into continuous vectors in the latent space and then…

Machine Learning · Computer Science 2020-01-16 Chaochao Yan , Sheng Wang , Jinyu Yang , Tingyang Xu , Junzhou Huang

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

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

The Variational Auto-Encoder (VAE) is one of the most used unsupervised machine learning models. But although the default choice of a Gaussian distribution for both the prior and posterior represents a mathematically convenient distribution…

Machine Learning · Statistics 2022-09-28 Tim R. Davidson , Luca Falorsi , Nicola De Cao , Thomas Kipf , Jakub M. Tomczak

Variational auto-encoders (VAEs) have proven to be a well suited tool for performing dimensionality reduction by extracting latent variables lying in a potentially much smaller dimensional space than the data. Their ability to capture…

Machine Learning · Statistics 2020-10-23 Clément Chadebec , Clément Mantoux , Stéphanie Allassonnière

A large part of the literature on learning disentangled representations focuses on variational autoencoders (VAE). Recent developments demonstrate that disentanglement cannot be obtained in a fully unsupervised setting without inductive…

Machine Learning · Computer Science 2021-02-11 Graziano Mita , Maurizio Filippone , Pietro Michiardi

Vector Quantized-Variational AutoEncoders (VQ-VAE) are generative models based on discrete latent representations of the data, where inputs are mapped to a finite set of learned embeddings.To generate new samples, an autoregressive prior…

Machine Learning · Statistics 2022-08-04 Max Cohen , Guillaume Quispe , Sylvain Le Corff , Charles Ollion , Eric Moulines

Synthetic data generation is of great interest in diverse applications, such as for privacy protection. Deep generative models, such as variational autoencoders (VAEs), are a popular approach for creating such synthetic datasets from…

Machine Learning · Statistics 2021-05-17 Kiana Farhadyar , Federico Bonofiglio , Daniela Zoeller , Harald Binder

Computational modeling of single-cell gene expression is crucial for understanding cellular processes, but generating realistic expression profiles remains a major challenge. This difficulty arises from the count nature of gene expression…

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