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Deep generative models have been praised for their ability to learn smooth latent representation of images, text, and audio, which can then be used to generate new, plausible data. However, current generative models are unable to work with…

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…

机器学习 · 计算机科学 2019-12-18 Bowen Jing , Ethan A. Chi , Jillian Tang

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…

机器学习 · 统计学 2016-11-23 Thomas N. Kipf , Max Welling

Deep learning on graphs has become a popular research topic with many applications. However, past work has concentrated on learning graph embedding tasks, which is in contrast with advances in generative models for images and text. Is it…

机器学习 · 计算机科学 2018-02-13 Martin Simonovsky , Nikos Komodakis

Graph Masked Autoencoders (GMAEs) have emerged as a notable self-supervised learning approach for graph-structured data. Existing GMAE models primarily focus on reconstructing node-level information, categorizing them as single-scale GMAEs.…

机器学习 · 计算机科学 2026-03-19 Chuang Liu , Zelin Yao , Xueqi Ma , Mukun Chen , Luzhi Wang , Jia Wu , Wenbin Hu

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…

机器学习 · 计算机科学 2023-06-09 Davide Rigoni , Nicolò Navarin , Alessandro Sperduti

This thesis is a proof of concept for the potential of Variational Auto-Encoder (VAE) on representation learning of real-world Knowledge Graphs (KG). Inspired by successful approaches to the generation of molecular graphs, we evaluate the…

机器学习 · 计算机科学 2021-01-25 Florian Wolf

Models of human motion commonly focus either on trajectory prediction or action classification but rarely both. The marked heterogeneity and intricate compositionality of human motion render each task vulnerable to the data degradation and…

计算机视觉与模式识别 · 计算机科学 2022-06-08 Anthony Bourached , Robert Gray , Xiaodong Guan , Ryan-Rhys Griffiths , Ashwani Jha , Parashkev Nachev

Representing graph data in a low-dimensional space for subsequent tasks is the purpose of attributed graph embedding. Most existing neural network approaches learn latent representations by minimizing reconstruction errors. Rare work…

机器学习 · 计算机科学 2024-01-15 Bozhen Hu , Zelin Zang , Jun Xia , Lirong Wu , Cheng Tan , Stan Z. Li

Despite advances in generative methods, accurately modeling the distribution of graphs remains a challenging task primarily because of the absence of predefined or inherent unique graph representation. Two main strategies have emerged to…

机器学习 · 计算机科学 2024-01-31 Yoann Boget , Magda Gregorova , Alexandros Kalousis

The ultimate goal of various fields is to directly generate molecules with desired properties, such as finding water-soluble molecules in drug development and finding molecules suitable for organic light-emitting diode (OLED) or…

机器学习 · 计算机科学 2022-02-16 Myeonghun Lee , Kyoungmin Min

We propose a multi-layer variational autoencoder method, we call HR-VQVAE, that learns hierarchical discrete representations of the data. By utilizing a novel objective function, each layer in HR-VQVAE learns a discrete representation of…

计算机视觉与模式识别 · 计算机科学 2022-08-10 Mohammad Adiban , Kalin Stefanov , Sabato Marco Siniscalchi , Giampiero Salvi

Graph clustering, aiming to partition nodes of a graph into various groups via an unsupervised approach, is an attractive topic in recent years. To improve the representative ability, several graph auto-encoder (GAE) models, which are based…

机器学习 · 计算机科学 2021-03-16 Hongyuan Zhang , Rui Zhang , Xuelong Li

Predicting molecular conformations (or 3D structures) from molecular graphs is a fundamental problem in many applications. Most existing approaches are usually divided into two steps by first predicting the distances between atoms and then…

机器学习 · 计算机科学 2025-01-07 Minkai Xu , Wujie Wang , Shitong Luo , Chence Shi , Yoshua Bengio , Rafael Gomez-Bombarelli , Jian Tang

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…

机器学习 · 计算机科学 2023-11-20 Laura Manduchi , Moritz Vandenhirtz , Alain Ryser , Julia Vogt

Multimodal Variational Autoencoders have emerged as a popular tool to extract effective representations from rich multimodal data. However, such models rely on fusion strategies in latent space that destroy the joint statistical structure…

机器学习 · 计算机科学 2026-03-03 Federico Caretti , Guido Sanguinetti

Graph generation is an extremely important task, as graphs are found throughout different areas of science and engineering. In this work, we focus on the modern equivalent of the Erdos-Renyi random graph model: the graph variational…

机器学习 · 计算机科学 2020-02-19 Daniel Flam-Shepherd , Tony Wu , Alan Aspuru-Guzik

Variational autoencoder (VAE) is a widely used generative model for learning latent representations. Burda et al. in their seminal paper showed that learning capacity of VAE is limited by over-pruning. It is a phenomenon where a significant…

机器学习 · 计算机科学 2020-08-10 Rayyan Ahmad Khan , Muhammad Umer Anwaar , Martin Kleinsteuber

Graph structured data are abundant in the real world. Among different graph types, directed acyclic graphs (DAGs) are of particular interest to machine learning researchers, as many machine learning models are realized as computations on…

机器学习 · 计算机科学 2019-10-30 Muhan Zhang , Shali Jiang , Zhicheng Cui , Roman Garnett , Yixin Chen

Multi-View Clustering (MVC) has gained significant attention for its ability to leverage complementary information across diverse views. However, existing deep MVC methods often struggle with view-distribution entanglement during cross-view…

计算机视觉与模式识别 · 计算机科学 2026-05-18 Xin Zou , Ruimeng Liu , Chang Tang , Zhenglai Li , Xinwang Liu , Kunlun He , Wanqing Li
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