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Graphs neural networks (GNNs) learn node features by aggregating and combining neighbor information, which have achieved promising performance on many graph tasks. However, GNNs are mostly treated as black-boxes and lack human intelligible…

Machine Learning · Computer Science 2020-06-05 Hao Yuan , Jiliang Tang , Xia Hu , Shuiwang Ji

Graph Neural Networks (GNNs) have become an effective tool for malware detection by capturing program execution through graph-structured representations. However, important challenges remain regarding scalability, interpretability, and the…

Cryptography and Security · Computer Science 2025-11-27 Hossein Shokouhinejad , Griffin Higgins , Roozbeh Razavi-Far , Ali A. Ghorbani

Recent advancements in Graph Neural Networks (GNNs) have spurred an upsurge of research dedicated to enhancing the explainability of GNNs, particularly in critical domains such as medicine. A promising approach is the self-explaining…

Machine Learning · Computer Science 2024-08-15 Jingyu Peng , Qi Liu , Linan Yue , Zaixi Zhang , Kai Zhang , Yunhao Sha

This paper studies faithful explanations for Graph Neural Networks (GNNs). First, we provide a new and general method for formally characterizing the faithfulness of explanations for GNNs. It applies to existing explanation methods,…

Machine Learning · Computer Science 2022-05-25 Zifan Wang , Yuhang Yao , Chaoran Zhang , Han Zhang , Youjie Kang , Carlee Joe-Wong , Matt Fredrikson , Anupam Datta

Deep neural networks (DNNs) achieve state-of-the-art performance on many tasks, but this often requires increasingly larger model sizes, which in turn leads to more complex internal representations. Explainability techniques (XAI) have made…

Machine Learning · Computer Science 2026-01-30 Tom Pelletreau-Duris , Ruud van Bakel , Michael Cochez

Graph Neural Networks (GNNs), developed by the graph learning community, have been adopted and shown to be highly effective in multi-robot and multi-agent learning. Inspired by this successful cross-pollination, we investigate and…

Multiagent Systems · Computer Science 2025-02-17 Siva Kailas , Shalin Jain , Harish Ravichandar

Diffusion probabilistic models (DPMs), widely recognized for their potential to generate high-quality samples, tend to go unnoticed in representation learning. While recent progress has highlighted their potential for capturing visual…

Machine Learning · Computer Science 2025-05-09 Dingshuo Chen , Shuchen Xue , Liuji Chen , Yingheng Wang , Qiang Liu , Shu Wu , Zhi-Ming Ma , Liang Wang

As post hoc explanations are increasingly used to understand the behavior of graph neural networks (GNNs), it becomes crucial to evaluate the quality and reliability of GNN explanations. However, assessing the quality of GNN explanations is…

Machine Learning · Computer Science 2023-01-18 Chirag Agarwal , Owen Queen , Himabindu Lakkaraju , Marinka Zitnik

Graph neural networks (GNNs) are the predominant approach for graph-based machine learning. While neural networks have shown great performance at learning useful representations, they are often criticized for their limited high-level…

Machine Learning · Computer Science 2024-07-09 Markus Zopf , Francesco Alesiani

Representations in the hidden layers of Deep Neural Networks (DNN) are often hard to interpret since it is difficult to project them into an interpretable domain. Graph Convolutional Networks (GCN) allow this projection, but existing…

Computation and Language · Computer Science 2019-09-25 Robert Schwarzenberg , Marc Hübner , David Harbecke , Christoph Alt , Leonhard Hennig

Graph neural networks (GNNs), which learn the representation of a node by aggregating its neighbors, have become an effective computational tool in downstream applications. Over-smoothing is one of the key issues which limit the performance…

Machine Learning · Computer Science 2020-06-15 Kaixiong Zhou , Xiao Huang , Yuening Li , Daochen Zha , Rui Chen , Xia Hu

It has been observed that message-passing graph neural networks (GNN) sometimes struggle to maintain a healthy balance between the efficient/scalable modeling of long-range dependencies across nodes while avoiding unintended consequences…

Machine Learning · Computer Science 2025-05-21 Yongyi Yang , Tang Liu , Yangkun Wang , Zengfeng Huang , David Wipf

Graph Neural Networks (GNNs) have achieved remarkable success in various applications, but their performance can be sensitive to specific data properties of the graph datasets they operate on. Current literature on understanding the…

Machine Learning · Computer Science 2023-10-31 Ting Wei Li , Qiaozhu Mei , Jiaqi Ma

Graph Neural Networks (GNNs) have been extensively used in various real-world applications. However, the predictive uncertainty of GNNs stemming from diverse sources such as inherent randomness in data and model training errors can lead to…

Machine Learning · Computer Science 2025-03-11 Fangxin Wang , Yuqing Liu , Kay Liu , Yibo Wang , Sourav Medya , Philip S. Yu

Graph Neural Networks (GNNs) have achieved unprecedented success in identifying categorical labels of graphs. However, most existing graph classification problems with GNNs follow the protocol of balanced data splitting, which misaligns…

Machine Learning · Computer Science 2022-09-29 Yu Wang , Yuying Zhao , Neil Shah , Tyler Derr

Graph neural networks (GNNs) have delivered remarkable results in various fields. However, the rapid increase in the scale of graph data has introduced significant performance bottlenecks for GNN inference. Both computational complexity and…

Machine Learning · Computer Science 2025-03-11 Xiabao Wu , Yongchao Liu , Wei Qin , Chuntao Hong

Graph neural networks (GNNs) are quickly becoming the standard approach for learning on graph structured data across several domains, but they lack transparency in their decision-making. Several perturbation-based approaches have been…

Machine Learning · Computer Science 2021-11-29 Anna Himmelhuber , Mitchell Joblin , Martin Ringsquandl , Thomas Runkler

Graph is a flexible and effective tool to represent complex structures in practice and graph neural networks (GNNs) have been shown to be effective on various graph tasks with randomly separated training and testing data. In real…

Machine Learning · Computer Science 2021-10-11 Shengyu Zhang , Kun Kuang , Jiezhong Qiu , Jin Yu , Zhou Zhao , Hongxia Yang , Zhongfei Zhang , Fei Wu

Graphs Neural Networks (GNNs) demonstrate high-performance on the link prediction (LP) task. However, these models often rely on all dataset samples being drawn from the same distribution. In addition, graph generative models (GGMs) show a…

Machine Learning · Computer Science 2025-07-17 Jay Revolinsky , Harry Shomer , Jiliang Tang

Graph Neural Networks (GNNs) are learning models aimed at processing graphs and signals on graphs. The most popular and successful GNNs are based on message passing schemes. Such schemes inherently have limited expressive power when it…

Machine Learning · Computer Science 2022-06-24 Jacob Bamberger
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