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Nowadays, deep prediction models, especially graph neural networks, have a majorplace in critical applications. In such context, those models need to be highlyinterpretable or being explainable by humans, and at the societal scope, this…

Artificial Intelligence · Computer Science 2023-03-13 Adrien Raison , Pascal Bourdon , David Helbert

Advanced cyber threats (e.g., Fileless Malware and Advanced Persistent Threat (APT)) have driven the adoption of provenance-based security solutions. These solutions employ Machine Learning (ML) models for behavioral modeling and critical…

Cryptography and Security · Computer Science 2025-10-10 Kunal Mukherjee , Joshua Wiedemeier , Tianhao Wang , Muhyun Kim , Feng Chen , Murat Kantarcioglu , Kangkook Jee

Graph Neural Networks (GNNs) are an emerging research field. This specialized Deep Neural Network (DNN) architecture is capable of processing graph structured data and bridges the gap between graph processing and Deep Learning (DL). As…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-05-24 Jana Vatter , Ruben Mayer , Hans-Arno Jacobsen

Graph neural networks (GNNs) have become a popular approach to integrating structural inductive biases into NLP models. However, there has been little work on interpreting them, and specifically on understanding which parts of the graphs…

Computation and Language · Computer Science 2022-10-04 Michael Sejr Schlichtkrull , Nicola De Cao , Ivan Titov

Graph Neural Networks (GNNs) have attracted increasing attention in recent years and have achieved excellent performance in semi-supervised node classification tasks. The success of most GNNs relies on one fundamental assumption, i.e., the…

Machine Learning · Computer Science 2024-12-03 Junchao Lin , Yuan Wan , Jingwen Xu , Xingchen Qi

The graph neural network (GNN) has demonstrated its superior performance in various applications. The working mechanism behind it, however, remains mysterious. GNN models are designed to learn effective representations for graph-structured…

Machine Learning · Computer Science 2022-06-10 Zepeng Zhang , Ziping Zhao

Most Graph Neural Networks (GNNs) cannot distinguish some graphs or indeed some pairs of nodes within a graph. This makes it impossible to solve certain classification tasks. However, adding additional node features to these models can…

Machine Learning · Computer Science 2022-09-20 Beni Egressy , Roger Wattenhofer

Graph neural networks (GNNs) learn to represent nodes by aggregating information from their neighbors. As GNNs increase in depth, their receptive field grows exponentially, leading to high memory costs. Several existing methods address this…

Machine Learning · Computer Science 2025-07-16 Taraneh Younesian , Daniel Daza , Emile van Krieken , Thiviyan Thanapalasingam , Peter Bloem

Graph neural networks (GNNs) face significant challenges with class imbalance, leading to biased inference results. To address this issue in heterogeneous graphs, we propose a novel framework that combines Graph Neural Network (GNN) and…

Machine Learning · Computer Science 2024-11-26 Hung-Chun Hsu , Bo-Jun Wu , Ming-Yi Hong , Che Lin , Chih-Yu Wang

Learning node embeddings that capture a node's position within the broader graph structure is crucial for many prediction tasks on graphs. However, existing Graph Neural Network (GNN) architectures have limited power in capturing the…

Machine Learning · Computer Science 2019-06-17 Jiaxuan You , Rex Ying , Jure Leskovec

Graph Neural Networks (GNNs) have shown advantages in various graph-based applications. Most existing GNNs assume strong homophily of graph structure and apply permutation-invariant local aggregation of neighbors to learn a representation…

Machine Learning · Computer Science 2022-01-04 Tianmeng Yang , Yujing Wang , Zhihan Yue , Yaming Yang , Yunhai Tong , Jing Bai

3D Geometric Graph Neural Networks (GNNs) have emerged as transformative tools for modeling molecular data. Despite their predictive power, these models often suffer from limited interpretability, raising concerns for scientific…

Machine Learning · Computer Science 2025-05-06 Jingxiang Qu , Wenhan Gao , Jiaxing Zhang , Xufeng Liu , Hua Wei , Haibin Ling , Yi Liu

Graph Neural Networks (GNNs) have become essential tools for analyzing graph-structured data in domains such as drug discovery and financial analysis, leading to growing demands for model transparency. Recent advances in explainable GNNs…

Machine Learning · Computer Science 2025-06-04 Bin Ma , Yuyuan Feng , Minhua Lin , Enyan Dai

Graph Neural Networks (GNNs) combine node attributes over a fixed granularity of the local graph structure around a node to predict its label. However, different nodes may relate to a node-level property with a different granularity of its…

Machine Learning · Computer Science 2025-06-19 Kartik Sharma , Vineeth Rakesh , Yingtong Dou , Srijan Kumar , Mahashweta Das

Despite the Graph Neural Networks' (GNNs) proficiency in analyzing graph data, achieving high-accuracy and interpretable predictions remains challenging. Existing GNN interpreters typically provide post-hoc explanations disjointed from…

Machine Learning · Computer Science 2024-07-26 Zhenhua Huang , Kunhao Li , Shaojie Wang , Zhaohong Jia , Wentao Zhu , Sharad Mehrotra

In many important graph data processing applications the acquired information includes both node features and observations of the graph topology. Graph neural networks (GNNs) are designed to exploit both sources of evidence but they do not…

Machine Learning · Computer Science 2021-10-28 Eli Chien , Jianhao Peng , Pan Li , Olgica Milenkovic

Many machine learning techniques have been proposed in the last few years to process data represented in graph-structured form. Graphs can be used to model several scenarios, from molecules and materials to RNA secondary structures. Several…

Machine Learning · Computer Science 2018-11-19 Nicolò Navarin , Dinh V. Tran , Alessandro Sperduti

While Graph Neural Networks (GNNs) are powerful models for learning representations on graphs, most state-of-the-art models do not have significant accuracy gain beyond two to three layers. Deep GNNs fundamentally need to address: 1).…

As Graph Neural Networks (GNNs) are widely adopted in digital pathology, there is increasing attention to developing explanation models (explainers) of GNNs for improved transparency in clinical decisions. Existing explainers discover an…

Machine Learning · Computer Science 2021-12-21 Junchi Yu , Tingyang Xu , Ran He

We propose the fully explainable Decision Tree Graph Neural Network (DT+GNN) architecture. In contrast to existing black-box GNNs and post-hoc explanation methods, the reasoning of DT+GNN can be inspected at every step. To achieve this, we…

Machine Learning · Computer Science 2022-05-27 Peter Müller , Lukas Faber , Karolis Martinkus , Roger Wattenhofer