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In data-driven drug discovery, designing molecular descriptors is a very important task. Deep generative models such as variational autoencoders (VAEs) offer a potential solution by designing descriptors as probabilistic latent vectors…

Machine Learning · Computer Science 2023-08-23 Daiki Koge , Naoaki Ono , Shigehiko Kanaya

Variational AutoEncoders (VAEs) are powerful generative models that merge elements from statistics and information theory with the flexibility offered by deep neural networks to efficiently solve the generation problem for high dimensional…

Machine Learning · Computer Science 2021-03-02 A. Asperti , D. Evangelista , E. Loli Piccolomini

A long-standing question for urban and regional planners pertains to the ability to describe urban patterns quantitatively. Cities' transport infrastructure, particularly street networks, provides an invaluable source of information about…

Computers and Society · Computer Science 2019-05-17 Kira Kempinska , Roberto Murcio

Link prediction is one of the key problems for graph-structured data. With the advancement of graph neural networks, graph autoencoders (GAEs) and variational graph autoencoders (VGAEs) have been proposed to learn graph embeddings in an…

Machine Learning · Computer Science 2021-09-14 Seong Jin Ahn , Myoung Ho Kim

Variational autoencoders (VAEs) learn representations of data by jointly training a probabilistic encoder and decoder network. Typically these models encode all features of the data into a single variable. Here we are interested in learning…

Variational Graph Autoencoders (VGAEs) are powerful models for unsupervised learning of node representations from graph data. In this work, we systematically analyze modeling node attributes in VGAEs and show that attribute decoding is…

Machine Learning · Computer Science 2022-12-06 Xiaohui Chen , Xi Chen , Liping Liu

We present a graph neural network model for solving graph-to-graph learning problems. Most deep learning on graphs considers ``simple'' problems such as graph classification or regressing real-valued graph properties. For such tasks, the…

Machine Learning · Computer Science 2021-06-08 Guan Wang , Francois Bernard Lauze , Aasa Feragen

Recently, the graph neural network (GNN) has shown great power in matrix completion by formulating a rating matrix as a bipartite graph and then predicting the link between the corresponding user and item nodes. The majority of GNN-based…

Machine Learning · Computer Science 2021-08-26 Wei Shen , Chuheng Zhang , Yun Tian , Liang Zeng , Xiaonan He , Wanchun Dou , Xiaolong Xu

Graph embedding is a powerful method to represent graph neurological data (e.g., brain connectomes) in a low dimensional space for brain connectivity mapping, prediction and classification. However, existing embedding algorithms have two…

Computer Vision and Pattern Recognition · Computer Science 2020-09-25 Alin Banka , Inis Buzi , Islem Rekik

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…

Machine Learning · Computer Science 2022-03-02 Gregory A. Daly , Jonathan E. Fieldsend , Gavin Tabor

Generative models of graph structure have applications in biology and social sciences. The state of the art is GraphRNN, which decomposes the graph generation process into a series of sequential steps. While effective for modest sizes, it…

Machine Learning · Computer Science 2019-10-18 Tony Duan , Juho Lee

Deep Learning has been widely applied in the area of image processing and natural language processing. In this paper, we propose an end-to-end communication structure based on autoencoder where the transceiver can be optimized jointly. A…

Information Theory · Computer Science 2019-06-18 Tianjie Mu , Xiaohui Chen , Li Chen , Huarui Yin , Weidong Wang

Autoencoding is a popular method in representation learning. Conventional autoencoders employ symmetric encoding-decoding procedures and a simple Euclidean latent space to detect hidden low-dimensional structures in an unsupervised way.…

Machine Learning · Computer Science 2024-10-07 Stefan C. Schonsheck , Scott Mahan , Timo Klock , Alexander Cloninger , Rongjie Lai

The adaptive processing of structured data is a long-standing research topic in machine learning that investigates how to automatically learn a mapping from a structured input to outputs of various nature. Recently, there has been an…

Machine Learning · Computer Science 2022-02-28 Federico Errica

Brain functional connectivity (FC) reveals biomarkers for identification of various neuropsychiatric disorders. Recent application of deep neural networks (DNNs) to connectome-based classification mostly relies on traditional convolutional…

Neurons and Cognition · Quantitative Biology 2024-01-31 Fuad Noman , Chee-Ming Ting , Hakmook Kang , Raphael C. -W. Phan , Brian D. Boyd , Warren D. Taylor , Hernando Ombao

The Variational Autoencoder (VAE) is a powerful architecture capable of representation learning and generative modeling. When it comes to learning interpretable (disentangled) representations, VAE and its variants show unparalleled…

Machine Learning · Computer Science 2019-04-17 Michal Rolinek , Dominik Zietlow , Georg Martius

Generative self-supervised learning on graphs, particularly graph masked autoencoders, has emerged as a popular learning paradigm and demonstrated its efficacy in handling non-Euclidean data. However, several remaining issues limit the…

Machine Learning · Computer Science 2024-02-14 Yijun Tian , Chuxu Zhang , Ziyi Kou , Zheyuan Liu , Xiangliang Zhang , Nitesh V. Chawla

Graph representation learning is a fundamental research issue in various domains of applications, of which the inductive learning problem is particularly challenging as it requires models to generalize to unseen graph structures during…

Machine Learning · Computer Science 2024-03-27 Hanxuan Yang , Zhaoxin Yu , Qingchao Kong , Wei Liu , Wenji Mao

Tabular data remains a challenging domain for generative models. In particular, the standard Variational Autoencoder (VAE) architecture, typically composed of multilayer perceptrons, struggles to model relationships between features,…

Machine Learning · Computer Science 2026-01-29 Aníbal Silva , Moisés Santos , André Restivo , Carlos Soares

Generative self-supervised learning (SSL), especially masked autoencoders, has become one of the most exciting learning paradigms and has shown great potential in handling graph data. However, real-world graphs are always heterogeneous,…

Machine Learning · Computer Science 2023-02-13 Yijun Tian , Kaiwen Dong , Chunhui Zhang , Chuxu Zhang , Nitesh V. Chawla
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