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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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

人工智能 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 统计学 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…

计算与语言 · 计算机科学 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)…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

生物大分子 · 定量生物学 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…

人工智能 · 计算机科学 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…

机器学习 · 计算机科学 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…

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