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We consider the explanation problem of Graph Neural Networks (GNNs). Most existing GNN explanation methods identify the most important edges or nodes but fail to consider substructures, which are more important for graph data. The only…

Machine Learning · Computer Science 2023-02-28 Zhaoning Yu , Hongyang Gao

Graph Neural Networks (GNNs) have demonstrated impressive performance across diverse graph-based tasks by leveraging message passing to capture complex node relationships. However, on large-scale real-world graphs, GNNs face two major…

Machine Learning · Computer Science 2026-03-10 Xiang Li , Jianpeng Qi , Haobing Liu , Yuan Cao , Guoqing Chao , Zhongying Zhao , Junyu Dong , Xinwang Liu , Yanwei Yu

The performance analytics domain in High Performance Computing (HPC) uses tabular data to solve regression problems, such as predicting the execution time. Existing Machine Learning (ML) techniques leverage the correlations among features…

Machine Learning · Computer Science 2024-01-22 Tarek Ramadan , Ankur Lahiry , Tanzima Z. Islam

Estimating the probabilities of linkages in a network has gained increasing interest in recent years. One popular model for network analysis is the exchangeable graph model (ExGM) characterized by a two-dimensional function known as a…

Methodology · Statistics 2018-09-05 Yi Su , Raymond K. W. Wong , Thomas C. M. Lee

We propose $\textbf{MGCL}$, a model-driven graph contrastive learning (GCL) framework that leverages graphons (probabilistic generative models for graphs) to guide contrastive learning by accounting for the data's underlying generative…

Machine Learning · Computer Science 2025-06-09 Ali Azizpour , Nicolas Zilberstein , Santiago Segarra

Graph Neural Networks (GNNs) are important across different domains, such as social network analysis and recommendation systems, due to their ability to model complex relational data. This paper introduces subgraph queries as a new task for…

Machine Learning · Computer Science 2024-08-09 Erfaneh Mahmoudzadeh , Parmis Naddaf , Kiarash Zahirnia , Oliver Schulte

Graph Neural Networks (GNNs) are recognized as potent tools for processing real-world data organized in graph structures. Especially inductive GNNs, which allow for the processing of graph-structured data without relying on predefined graph…

Machine Learning · Computer Science 2024-11-21 Marcin Podhajski , Jan Dubiński , Franziska Boenisch , Adam Dziedzic , Agnieszka Pregowska , Tomasz P. Michalak

As a fundamental structure in real-world networks, in addition to graph topology, communities can also be reflected by abundant node attributes. In attributed community detection, probabilistic generative models (PGMs) have become the…

Social and Information Networks · Computer Science 2022-05-31 Ren Ren , Jinliang Shao , Adrian N. Bishop , Wei Xing Zheng

Understanding how well a deep generative model captures a distribution of high-dimensional data remains an important open challenge. It is especially difficult for certain model classes, such as Generative Adversarial Networks and Diffusion…

Machine Learning · Computer Science 2023-08-08 Suman Ravuri , Mélanie Rey , Shakir Mohamed , Marc Deisenroth

Learning community structures in graphs has broad applications across scientific domains. While graph neural networks (GNNs) have been successful in encoding graph structures, existing GNN-based methods for community detection are limited…

Machine Learning · Statistics 2024-08-05 Yueqi Wang , Yoonho Lee , Pallab Basu , Juho Lee , Yee Whye Teh , Liam Paninski , Ari Pakman

We provide a novel approach to construct generative models for graphs. Instead of using the traditional probabilistic models or deep generative models, we propose to instead find an algorithm that generates the data. We achieve this using…

Machine Learning · Computer Science 2023-04-26 Mihai Babiac , Karolis Martinkus , Roger Wattenhofer

Graph Neural Networks (GNNs) have been widely used for modeling graph-structured data. With the development of numerous GNN variants, recent years have witnessed groundbreaking results in improving the scalability of GNNs to work on static…

Machine Learning · Computer Science 2022-06-06 Yanping Zheng , Hanzhi Wang , Zhewei Wei , Jiajun Liu , Sibo Wang

Recent advances in deep learning have accelerated its use in various applications, such as cellular image analysis and molecular discovery. In molecular discovery, a generative adversarial network (GAN), which comprises a discriminator to…

Machine Learning · Computer Science 2023-04-13 Daniel Manu , Jingjing Yao , Wuji Liu , Xiang Sun

Graphs play an important role in many applications. Recently, Graph Neural Networks (GNNs) have achieved promising results in graph analysis tasks. Some state-of-the-art GNN models have been proposed, e.g., Graph Convolutional Networks…

Machine Learning · Computer Science 2021-09-29 Yaoman Li , Irwin King

Generating realistic graph-structured data is challenging due to discrete connectivity, varying graph sizes, and class-specific structural patterns. Recent Generative Adversarial Networks (GAN)-based graph generation methods improve edge…

Machine Learning · Computer Science 2026-05-29 James Sargant , Seyedeh Ava Razi Razavi , Renata Dividino , Sheridan Houghten

As large-scale graphs become more widespread, more and more computational challenges with extracting, processing, and interpreting large graph data are being exposed. It is therefore natural to search for ways to summarize these expansive…

Machine Learning · Computer Science 2024-01-05 Nasrin Shabani , Jia Wu , Amin Beheshti , Quan Z. Sheng , Jin Foo , Venus Haghighi , Ambreen Hanif , Maryam Shahabikargar

Message-passing neural networks (MPNNs) have been successfully applied to representation learning on graphs in a variety of real-world applications. However, two fundamental weaknesses of MPNNs' aggregators limit their ability to represent…

Machine Learning · Computer Science 2020-02-17 Hongbin Pei , Bingzhe Wei , Kevin Chen-Chuan Chang , Yu Lei , Bo Yang

Graph-based clustering plays an important role in the clustering area. Recent studies about graph convolution neural networks have achieved impressive success on graph type data. However, in general clustering tasks, the graph structure of…

Machine Learning · Computer Science 2024-04-23 Xuelong Li , Hongyuan Zhang , Rui Zhang

Masked graph modeling excels in the self-supervised representation learning of molecular graphs. Scrutinizing previous studies, we can reveal a common scheme consisting of three key components: (1) graph tokenizer, which breaks a molecular…

Machine Learning · Computer Science 2024-01-17 Zhiyuan Liu , Yaorui Shi , An Zhang , Enzhi Zhang , Kenji Kawaguchi , Xiang Wang , Tat-Seng Chua

Attributed graph embedding, which learns vector representations from graph topology and node features, is a challenging task for graph analysis. Recently, methods based on graph convolutional networks (GCNs) have made great progress on this…

Machine Learning · Computer Science 2020-07-06 Ganqu Cui , Jie Zhou , Cheng Yang , Zhiyuan Liu
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