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Graph neural networks (GNNs) are widely used in the applications based on graph structured data, such as node classification and link prediction. However, GNNs are often used as a black-box tool and rarely get in-depth investigated…

社会与信息网络 · 计算机科学 2023-12-27 Haoteng Yin , Yanbang Wang , Pan Li

While Graph Neural Networks (GNNs) have achieved remarkable results in a variety of applications, recent studies exposed important shortcomings in their ability to capture the structure of the underlying graph. It has been shown that the…

机器学习 · 计算机科学 2023-09-26 Giorgos Bouritsas , Fabrizio Frasca , Stefanos Zafeiriou , Michael M. Bronstein

Graph neural networks (GNNs) are popular machine learning models for graphs with many applications across scientific domains. However, GNNs are considered black box models, and it is challenging to understand how the model makes…

机器学习 · 计算机科学 2025-01-20 Selahattin Akkas , Ariful Azad

The message-passing mechanism underlying Graph Neural Networks (GNNs) is not naturally suited for heterophilic datasets, where adjacent nodes often have different labels. Most solutions to this problem remain confined to the task of node…

机器学习 · 计算机科学 2025-06-30 Andrea Giuseppe Di Francesco , Francesco Caso , Maria Sofia Bucarelli , Fabrizio Silvestri

Graph neural networks (GNNs) are powerful tools on graph data. However, their predictions are mis-calibrated and lack interpretability, limiting their adoption in critical applications. To address this issue, we propose a new…

机器学习 · 计算机科学 2025-08-26 Lingkai Kong , Haotian Sun , Yuchen Zhuang , Haorui Wang , Wenhao Mu , Chao Zhang

Machine learning on graphs, especially using graph neural networks (GNNs), has seen a surge in interest due to the wide availability of graph data across a broad spectrum of disciplines, from life to social and engineering sciences. Despite…

Benefiting from the injection of human prior knowledge, graphs, as derived discrete data, are semantically dense so that models can efficiently learn the semantic information from such data. Accordingly, graph neural networks (GNNs) indeed…

机器学习 · 计算机科学 2023-05-25 Hang Gao , Jiangmeng Li , Wenwen Qiang , Lingyu Si , Xingzhe Su , Fengge Wu , Changwen Zheng , Fuchun Sun

With the rapid deployment of graph neural networks (GNNs) based techniques into a wide range of applications such as link prediction, node classification, and graph classification the explainability of GNNs has become an indispensable…

机器学习 · 计算机科学 2023-01-03 Yiqiao Li , Jianlong Zhou , Boyuan Zheng , Fang Chen

Graph Neural Networks (GNNs) are a popular class of machine learning models. Inspired by the learning to explain (L2X) paradigm, we propose L2XGNN, a framework for explainable GNNs which provides faithful explanations by design. L2XGNN…

机器学习 · 计算机科学 2024-06-17 Giuseppe Serra , Mathias Niepert

This paper derives statistical guarantees for the performance of Graph Neural Networks (GNNs) in link prediction tasks on graphs generated by a graphon. We propose a linear GNN architecture (LG-GNN) that produces consistent estimators for…

机器学习 · 计算机科学 2024-02-08 Alan Chung , Amin Saberi , Morgane Austern

Graph Neural Networks (GNNs) are able to achieve high classification accuracy on many important real world datasets, but provide no rigorous notion of predictive uncertainty. Quantifying the confidence of GNN models is difficult due to the…

机器学习 · 统计学 2024-01-10 Jase Clarkson

Graph Neural Networks (GNNs) have recently been used for node and graph classification tasks with great success, but GNNs model dependencies among the attributes of nearby neighboring nodes rather than dependencies among observed node…

机器学习 · 计算机科学 2020-09-30 Mengyue Hang , Jennifer Neville , Bruno Ribeiro

Graph neural networks (GNNs) are powerful tools for solving graph-related problems. Distributed GNN frameworks and systems enhance the scalability of GNNs and accelerate model training, yet most are optimized for node classification. Their…

机器学习 · 计算机科学 2025-06-27 Xin Huang , Chul-Ho Lee

Uncovering rationales behind predictions of graph neural networks (GNNs) has received increasing attention over recent years. Instance-level GNN explanation aims to discover critical input elements, like nodes or edges, that the target GNN…

机器学习 · 计算机科学 2022-12-20 Tianxiang Zhao , Dongsheng Luo , Xiang Zhang , Suhang Wang

Explaining Graph Neural Networks (GNNs) has garnered significant attention due to the need for interpretability, enabling users to understand the behavior of these black-box models better and extract valuable insights from their…

机器学习 · 计算机科学 2025-06-03 Jiaxing Zhang , Xiaoou Liu , Dongsheng Luo , Hua Wei

This work provides the first theoretical study on the ability of graph Message Passing Neural Networks (gMPNNs) -- such as Graph Neural Networks (GNNs) -- to perform inductive out-of-distribution (OOD) link prediction tasks, where…

机器学习 · 计算机科学 2022-10-11 Yangze Zhou , Gitta Kutyniok , Bruno Ribeiro

Message passing neural networks (MPNNs) operate on graphs by exchanging information between neigbouring nodes. MPNNs have been successfully applied to various node-, edge-, and graph-level tasks in areas like molecular science, computer…

机器学习 · 计算机科学 2025-11-05 Lisi Qarkaxhija , Anatol E. Wegner , Ingo Scholtes

While Graph Neural Networks (GNNs) recently became powerful tools in graph learning tasks, considerable efforts have been spent on improving GNNs' structural encoding ability. A particular line of work proposed subgraph GNNs that use…

机器学习 · 计算机科学 2023-10-31 Lecheng Kong , Jiarui Feng , Hao Liu , Dacheng Tao , Yixin Chen , Muhan Zhang

Although traditional symbolic reasoning methods are highly interpretable, their application in knowledge graphs link prediction has been limited due to their computational inefficiency. A new RNNNTP method is proposed in this paper, using a…

机器学习 · 计算机科学 2022-03-15 Yu-hao Wu , Hou-biao Li

One challenge in fact checking is the ability to improve the transparency of the decision. We present a fact checking method that uses reference information in knowledge graphs (KGs) to assess claims and explain its decisions. KGs contain a…

数据库 · 计算机科学 2019-06-24 Naser Ahmadi , Joohyung Lee , Paolo Papotti , Mohammed Saeed