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Graph Neural Networks (GNNs) are gaining extensive attention for their application in graph data. However, the black-box nature of GNNs prevents users from understanding and trusting the models, thus hampering their applicability. Whereas…

Machine Learning · Computer Science 2023-05-23 Qizhang Feng , Ninghao Liu , Fan Yang , Ruixiang Tang , Mengnan Du , Xia Hu

A large body of work has investigated the properties of graph neural networks and identified several limitations, particularly pertaining to their expressive power. Their inability to count certain patterns (e.g., cycles) in a graph lies at…

Machine Learning · Computer Science 2024-06-11 Emily Jin , Michael Bronstein , İsmail İlkan Ceylan , Matthias Lanzinger

Graph neural networks (GNNs) have been applied into a variety of graph tasks. Most existing work of GNNs is based on the assumption that the given graph data is optimal, while it is inevitable that there exists missing or incomplete edges…

Machine Learning · Computer Science 2022-05-13 Qianggang Ding , Deheng Ye , Tingyang Xu , Peilin Zhao

Heterogeneous graph neural networks (HGNNs) have been blossoming in recent years, but the unique data processing and evaluation setups used by each work obstruct a full understanding of their advancements. In this work, we present a…

Machine Learning · Computer Science 2022-01-03 Qingsong Lv , Ming Ding , Qiang Liu , Yuxiang Chen , Wenzheng Feng , Siming He , Chang Zhou , Jianguo Jiang , Yuxiao Dong , Jie Tang

For learning graph representations, not all detailed structures within a graph are relevant to the given graph tasks. Task-relevant structures can be $localized$ or $sparse$ which are only involved in subgraphs or characterized by the…

Machine Learning · Computer Science 2022-06-14 Mingqi Yang , Yanming Shen , Heng Qi , Baocai Yin

Most of the current hypergraph learning methodologies and benchmarking datasets in the hypergraph realm are obtained by lifting procedures from their graph analogs, leading to overshadowing specific characteristics of hypergraphs. This…

Artificial Intelligence · Computer Science 2025-03-19 Lev Telyatnikov , Maria Sofia Bucarelli , Guillermo Bernardez , Olga Zaghen , Simone Scardapane , Pietro Lio

Modern neuroimaging techniques provide us with unique views on brain structure and function; i.e., how the brain is wired, and where and when activity takes place. Data acquired using these techniques can be analyzed in terms of its network…

Image and Video Processing · Electrical Eng. & Systems 2018-01-31 Weiyu Huang , Thomas A. W. Bolton , John D. Medaglia , Danielle S. Bassett , Alejandro Ribeiro , Dimitri Van De Ville

Hypergraph offers a framework to depict the multilateral relationships in real-world complex data. Predicting higher-order relationships, i.e hyperedge, becomes a fundamental problem for the full understanding of complicated interactions.…

Social and Information Networks · Computer Science 2021-06-15 Changlin Wan , Muhan Zhang , Wei Hao , Sha Cao , Pan Li , Chi Zhang

Graph Neural Networks (GNNs) are characterized by their capacity of processing graph-structured data. However, due to the sparsity of labels under semi-supervised learning, they have been found to exhibit biased performance on specific…

Machine Learning · Computer Science 2025-12-16 Yihan Zhang

Graph neural networks (GNNs) have demonstrated excellent performance in semi-supervised node classification tasks. Despite this, two primary challenges persist: heterogeneity and heterophily. Each of these two challenges can significantly…

Machine Learning · Computer Science 2025-04-14 Kangkang Lu , Yanhua Yu , Zhiyong Huang , Yunshan Ma , Xiao Wang , Meiyu Liang , Yuling Wang , Yimeng Ren , Tat-Seng Chua

This paper studies the interplay between learning algorithms and graph structure for graph neural networks (GNNs). Existing theoretical studies on the learning dynamics of GNNs primarily focus on the convergence rates of learning algorithms…

Machine Learning · Computer Science 2025-08-21 Junwei Su , Chuan Wu

Graph Neural Networks (GNNs) have emerged as the de facto standard for representation learning on graphs, owing to their ability to effectively integrate graph topology and node attributes. However, the inherent suboptimal nature of node…

Machine Learning · Computer Science 2023-12-27 Zhiyao Zhou , Sheng Zhou , Bochao Mao , Xuanyi Zhou , Jiawei Chen , Qiaoyu Tan , Daochen Zha , Yan Feng , Chun Chen , Can Wang

Graph Neural Networks (GNNs) have emerged as the leading paradigm for solving graph analytical problems in various real-world applications. Nevertheless, GNNs could potentially render biased predictions towards certain demographic…

Machine Learning · Computer Science 2022-11-29 Yushun Dong , Song Wang , Jing Ma , Ninghao Liu , Jundong Li

Deep neural networks implement a sequence of layer-by-layer operations that are each relatively easy to understand, but the resulting overall computation is generally difficult to understand. We consider a simple hypothesis for interpreting…

Machine Learning · Computer Science 2022-11-29 Richard D. Lange , Devin Kwok , Jordan Matelsky , Xinyue Wang , David S. Rolnick , Konrad P. Kording

Graph neural network have achieved impressive results in predicting molecular properties, but they do not directly account for local and hidden structures in the graph such as functional groups and molecular geometry. At each propagation…

Machine Learning · Computer Science 2020-02-25 Daniel Flam-Shepherd , Tony Wu , Pascal Friederich , Alan Aspuru-Guzik

Recently, significant attention has been given to the idea of viewing relational databases as heterogeneous graphs, enabling the application of graph neural network (GNN) technology for predictive tasks. However, existing GNN methods…

Machine Learning · Computer Science 2025-02-26 Francesco Ferrini , Antonio Longa , Andrea Passerini , Manfred Jaeger

Although deep learning models perform remarkably well across a range of tasks such as language translation and object recognition, it remains unclear what high-level logic, if any, they follow. Understanding this logic may lead to more…

Databases · Computer Science 2019-01-08 Thibault Sellam , Kevin Lin , Ian Yiran Huang , Yiru Chen , Michelle Yang , Carl Vondrick , Eugene Wu

Graph Neural Networks (GNNs) have been extensively used for mining graph-structured data with impressive performance. However, because these traditional GNNs do not distinguish among various downstream tasks, embeddings embedded by them are…

Machine Learning · Computer Science 2024-09-20 Jianpeng Chen , Yujing Wang , Ming Zeng , Zongyi Xiang , Bitan Hou , Yunhai Tong , Ole J. Mengshoel , Yazhou Ren

Graph neural networks (GNNs) have been widely used in representation learning on graphs and achieved state-of-the-art performance in tasks such as node classification and link prediction. However, most existing GNNs are designed to learn…

Machine Learning · Computer Science 2020-02-06 Seongjun Yun , Minbyul Jeong , Raehyun Kim , Jaewoo Kang , Hyunwoo J. Kim

Subgraph matching is the problem of determining the presence and location(s) of a given query graph in a large target graph. Despite being an NP-complete problem, the subgraph matching problem is crucial in domains ranging from network…

Machine Learning · Computer Science 2020-10-28 Rex , Ying , Zhaoyu Lou , Jiaxuan You , Chengtao Wen , Arquimedes Canedo , Jure Leskovec