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Related papers: The quest for the GRAph Level autoEncoder (GRALE)

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We put forth a principled design of a neural architecture to learn nodal Adjacency Spectral Embeddings (ASE) from graph inputs. By bringing to bear the gradient descent (GD) method and leveraging the principle of algorithm unrolling, we…

Machine Learning · Computer Science 2025-08-29 Sofía Pérez Casulo , Marcelo Fiori , Federico Larroca , Gonzalo Mateos

Causal structure learning has been a challenging task in the past decades and several mainstream approaches such as constraint- and score-based methods have been studied with theoretical guarantees. Recently, a new approach has transformed…

Machine Learning · Computer Science 2019-11-19 Ignavier Ng , Shengyu Zhu , Zhitang Chen , Zhuangyan Fang

Graph embedding is an effective method to represent graph data in a low dimensional space for graph analytics. Most existing embedding algorithms typically focus on preserving the topological structure or minimizing the reconstruction…

Machine Learning · Computer Science 2019-01-09 Shirui Pan , Ruiqi Hu , Guodong Long , Jing Jiang , Lina Yao , Chengqi Zhang

Self-supervised auto-encoders have emerged as a successful framework for representation learning in computer vision and natural language processing in recent years, However, their application to graph data has been met with limited…

Artificial Intelligence · Computer Science 2023-01-31 Chengyu Sun

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

Graph Transformer (GT) has recently emerged as a promising neural network architecture for learning graph-structured data. However, its global attention mechanism with quadratic complexity concerning the graph scale prevents wider…

Machine Learning · Computer Science 2024-12-09 Ningyi Liao , Zihao Yu , Siqiang Luo

Pretraining models with unsupervised graph representation learning has led to significant advancements in domains such as social network analysis, molecular design, and electronic design automation (EDA). However, prior work in EDA has…

Machine Learning · Computer Science 2025-05-20 Sungyoung Lee , Ziyi Wang , Seunggeun Kim , Taekyun Lee , Yao Lai , David Z. Pan

The Transformer architecture has gained growing attention in graph representation learning recently, as it naturally overcomes several limitations of graph neural networks (GNNs) by avoiding their strict structural inductive biases and…

Machine Learning · Statistics 2022-06-14 Dexiong Chen , Leslie O'Bray , Karsten Borgwardt

Self-supervised representation learning on text-attributed graphs, which aims to create expressive and generalizable representations for various downstream tasks, has received increasing research attention lately. However, existing methods…

Computation and Language · Computer Science 2023-10-24 Yichuan Li , Kaize Ding , Kyumin Lee

The goal of this work is to address two limitations in autoencoder-based models: latent space interpretability and compatibility with unstructured meshes. This is accomplished here with the development of a novel graph neural network (GNN)…

Machine Learning · Computer Science 2023-02-20 Shivam Barwey , Varun Shankar , Venkatasubramanian Viswanathan , Romit Maulik

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…

Machine Learning · Computer Science 2024-01-31 Yoann Boget , Magda Gregorova , Alexandros Kalousis

Contrastive learning methods have attracted considerable attention due to their remarkable success in analyzing graph-structured data. Inspired by the success of contrastive learning, we propose a novel framework for contrastive…

Machine Learning · Computer Science 2023-06-21 Xiaojuan Zhang , Jun Fu , Shuang Li

Graph autoencoders (AE) and variational autoencoders (VAE) recently emerged as powerful node embedding methods. In particular, graph AE and VAE were successfully leveraged to tackle the challenging link prediction problem, aiming at…

Machine Learning · Computer Science 2022-06-07 Guillaume Salha , Stratis Limnios , Romain Hennequin , Viet Anh Tran , Michalis Vazirgiannis

Graph neural networks (GNNs) have shown advantages in graph-based analysis tasks. However, most existing methods have the homogeneity assumption and show poor performance on heterophilic graphs, where the linked nodes have dissimilar…

Machine Learning · Computer Science 2024-04-16 Tianhao Peng , Wenjun Wu , Haitao Yuan , Zhifeng Bao , Zhao Pengrui , Xin Yu , Xuetao Lin , Yu Liang , Yanjun Pu

Graph pre-training has been concentrated on graph-level tasks involving small graphs (e.g., molecular graphs) or learning node representations on a fixed graph. Extending graph pre-trained models to web-scale graphs with billions of nodes…

Machine Learning · Computer Science 2025-11-07 Yufei He , Zhenyu Hou , Yukuo Cen , Jun Hu , Feng He , Xu Cheng , Jie Tang , Bryan Hooi

In recent years, continual learning (CL) techniques have made significant progress in learning from streaming data while preserving knowledge across sequential tasks, particularly in the realm of euclidean data. To foster fair evaluation…

Machine Learning · Computer Science 2024-06-10 Tianqi Zhao , Alan Hanjalic , Megha Khosla

How to obtain informative representations of molecules is a crucial prerequisite in AI-driven drug design and discovery. Recent researches abstract molecules as graphs and employ Graph Neural Networks (GNNs) for molecular representation…

Biomolecules · Quantitative Biology 2020-10-30 Yu Rong , Yatao Bian , Tingyang Xu , Weiyang Xie , Ying Wei , Wenbing Huang , Junzhou Huang

The goal of representation learning of knowledge graph is to encode both entities and relations into a low-dimensional embedding spaces. Many recent works have demonstrated the benefits of knowledge graph embedding on knowledge graph…

Artificial Intelligence · Computer Science 2019-10-11 Wenqiang Liu , Hongyun Cai , Xu Cheng , Sifa Xie , Yipeng Yu , Hanyu Zhang

Self-supervised learning (SSL) has emerged as a powerful paradigm for learning representations on graph data without requiring manual labels. However, leading SSL methods like GRACE are fundamentally incompatible with privacy-preserving…

Machine Learning · Computer Science 2025-10-01 Daksh Pandey

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…

Machine Learning · Computer Science 2020-02-19 Daniel Flam-Shepherd , Tony Wu , Alan Aspuru-Guzik