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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…

Graph link prediction has long been a central problem in graph representation learning in both network analysis and generative modeling. Recent progress in deep learning has introduced increasingly sophisticated architectures for capturing…

机器学习 · 计算机科学 2025-12-02 Siddhant Karki

There has been exciting progress in generating images from natural language or layout conditions. However, these methods struggle to faithfully reproduce complex scenes due to the insufficient modeling of multiple objects and their…

计算机视觉与模式识别 · 计算机科学 2024-10-02 Yunnan Wang , Ziqiang Li , Zequn Zhang , Wenyao Zhang , Baao Xie , Xihui Liu , Wenjun Zeng , Xin Jin

Periodic graphs are graphs consisting of repetitive local structures, such as crystal nets and polygon mesh. Their generative modeling has great potential in real-world applications such as material design and graphics synthesis. Classical…

机器学习 · 计算机科学 2022-10-07 Shiyu Wang , Xiaojie Guo , Liang Zhao

The rising use of machine learning in various fields requires robust methods to create synthetic tabular data. Data should preserve key characteristics while addressing data scarcity challenges. Current approaches based on Generative…

机器学习 · 计算机科学 2024-11-15 Patricia A. Apellániz , Juan Parras , Santiago Zazo

Graph representation learning is a fundamental research theme and can be generalized to benefit multiple downstream tasks from the node and link levels to the higher graph level. In practice, it is desirable to develop task-agnostic general…

机器学习 · 计算机科学 2023-12-12 Hanxuan Yang , Qingchao Kong , Wenji Mao

Latent representations of drugs and their targets produced by contemporary graph autoencoder-based models have proved useful in predicting many types of node-pair interactions on large networks, including drug-drug, drug-target, and…

生物大分子 · 定量生物学 2022-11-01 Nhat Khang Ngo , Truong Son Hy , Risi Kondor

Over the last few years, graph autoencoders (AE) and variational autoencoders (VAE) emerged as powerful node embedding methods, with promising performances on challenging tasks such as link prediction and node clustering. Graph AE, VAE and…

机器学习 · 计算机科学 2020-06-18 Guillaume Salha , Romain Hennequin , Michalis Vazirgiannis

Graphs are ubiquitous data structures for representing interactions between entities. With an emphasis on the use of graphs to represent chemical molecules, we explore the task of learning to generate graphs that conform to a distribution…

机器学习 · 计算机科学 2019-03-08 Qi Liu , Miltiadis Allamanis , Marc Brockschmidt , Alexander L. Gaunt

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…

机器学习 · 计算机科学 2022-03-02 Gregory A. Daly , Jonathan E. Fieldsend , Gavin Tabor

Graph neural networks (GNNs) achieve remarkable performance for tasks on graph data. However, recent works show they are extremely vulnerable to adversarial structural perturbations, making their outcomes unreliable. In this paper, we…

机器学习 · 计算机科学 2020-06-17 Ao Zhang , Jinwen Ma

Recently, transformers have shown promising performance in learning graph representations. However, there are still some challenges when applying transformers to real-world scenarios due to the fact that deep transformers are hard to train…

机器学习 · 计算机科学 2022-05-13 Sixiao Zhang , Hongxu Chen , Haoran Yang , Xiangguo Sun , Philip S. Yu , Guandong Xu

Despite the suitability of graphs for capturing the relational structures inherent in architectural layout designs, there is a notable dearth of research on interpreting architectural design space using graph-based representation learning…

机器学习 · 计算机科学 2024-06-26 Jielin Chen , Rudi Stouffs

Handling missing data remains a fundamental challenge in real-world tabular datasets, especially when data are heterogeneous with both numerical and categorical features. Existing imputation methods often fail to capture complex structural…

机器学习 · 计算机科学 2025-12-01 Youran Zhou , Mohamed Reda Bouadjenek , Sunil Aryal%

We introduce a novel masked graph autoencoder (MGAE) framework to perform effective learning on graph structure data. Taking insights from self-supervised learning, we randomly mask a large proportion of edges and try to reconstruct these…

机器学习 · 计算机科学 2022-01-10 Qiaoyu Tan , Ninghao Liu , Xiao Huang , Rui Chen , Soo-Hyun Choi , Xia Hu

Generative Adversarial Networks (GANs) have been used in many different applications to generate realistic synthetic data. We introduce a novel GAN with Autoencoder (GAN-AE) architecture to generate synthetic samples for variable length,…

机器学习 · 计算机科学 2022-10-10 Stephanie Ger , Yegna Subramanian Jambunath , Diego Klabjan

Variational Autoencoders (VAEs) are powerful in data representation inference, but it cannot learn relations between features with its vanilla form and common variations. The ability to capture relations within data can provide the much…

机器学习 · 计算机科学 2020-07-23 Chen Wang , Chengyuan Deng , Vladimir Ivanov

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…

计算机与社会 · 计算机科学 2019-05-17 Kira Kempinska , Roberto Murcio

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

Graph autoencoders (GAEs) are powerful tools in representation learning for graph embedding. However, the performance of GAEs is very dependent on the quality of the graph structure, i.e., of the adjacency matrix. In other words, GAEs would…

机器学习 · 计算机科学 2021-03-24 Rui Zhang , Yunxing Zhang , Xuelong Li