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Graph Neural Networks (GNNs) achieve significant performance for various learning tasks on geometric data due to the incorporation of graph structure into the learning of node representations, which renders their comprehension challenging.…

机器学习 · 计算机科学 2021-07-14 Alexandre Duval , Fragkiskos D. Malliaros

While deep learning has led to huge progress in complex image classification tasks like ImageNet, unexpected failure modes, e.g. via spurious features, call into question how reliably these classifiers work in the wild. Furthermore, for…

计算机视觉与模式识别 · 计算机科学 2024-07-15 Maximilian Augustin , Yannic Neuhaus , Matthias Hein

Distinguishing the automorphic equivalence of nodes in a graph plays an essential role in many scientific domains, e.g., computational biologist and social network analysis. However, existing graph neural networks (GNNs) fail to capture…

机器学习 · 计算机科学 2021-11-10 Fengli Xu , Quanming Yao , Pan Hui , Yong Li

Graph data is becoming increasingly prevalent due to the growing demand for relational insights in AI across various domains. Organizations regularly use graph data to solve complex problems involving relationships and connections. Causal…

机器学习 · 计算机科学 2026-02-23 Simi Job , Xiaohui Tao , Taotao Cai , Haoran Xie , Jianming Yong , Xin Wang

The prevalence and perniciousness of fake news have been a critical issue on the Internet, which stimulates the development of automatic fake news detection in turn. In this paper, we focus on evidence-based fake news detection, where…

计算与语言 · 计算机科学 2022-10-12 Junfei Wu , Weizhi Xu , Qiang Liu , Shu Wu , Liang Wang

Graph representation learning has emerged as a powerful technique for addressing real-world problems. Various downstream graph learning tasks have benefited from its recent developments, such as node classification, similarity search, and…

机器学习 · 计算机科学 2020-07-03 Jiezhong Qiu , Qibin Chen , Yuxiao Dong , Jing Zhang , Hongxia Yang , Ming Ding , Kuansan Wang , Jie Tang

Graphs are widely used to describe real-world objects and their interactions. Graph Neural Networks (GNNs) as a de facto model for analyzing graphstructured data, are highly sensitive to the quality of the given graph structures. Therefore,…

机器学习 · 计算机科学 2022-02-16 Yanqiao Zhu , Weizhi Xu , Jinghao Zhang , Yuanqi Du , Jieyu Zhang , Qiang Liu , Carl Yang , Shu Wu

Graph Neural Networks (GNNs) are a powerful technique for machine learning on graph-structured data, yet they pose challenges in interpretability. Existing GNN explanation methods usually yield technical outputs, such as subgraphs and…

机器学习 · 计算机科学 2025-04-09 Mateusz Cedro , David Martens

Explainable Graph Neural Network (GNN) has emerged recently to foster the trust of using GNNs. Existing GNN explainers are developed from various perspectives to enhance the explanation performance. We take the first step to study GNN…

密码学与安全 · 计算机科学 2024-06-06 Jiate Li , Meng Pang , Yun Dong , Jinyuan Jia , Binghui Wang

Graph learning is currently dominated by graph kernels, which, while powerful, suffer some significant limitations. Convolutional Neural Networks (CNNs) offer a very appealing alternative, but processing graphs with CNNs is not trivial. To…

计算机视觉与模式识别 · 计算机科学 2019-09-04 Antoine Jean-Pierre Tixier , Giannis Nikolentzos , Polykarpos Meladianos , Michalis Vazirgiannis

Adversarial learning and the robustness of Graph Neural Networks (GNNs) are topics of widespread interest in the machine learning community, as documented by the number of adversarial attacks and defenses designed for these purposes. While…

机器学习 · 计算机科学 2026-05-08 Tran Gia Bao Ngo , Zulfikar Alom , Federico Errica , Murat Kantarcioglu , Cuneyt Gurcan Akcora

Graph Neural Networks (GNNs), neural network architectures targeted to learning representations of graphs, have become a popular learning model for prediction tasks on nodes, graphs and configurations of points, with wide success in…

机器学习 · 计算机科学 2022-04-19 Stefanie Jegelka

Uncertainty quantification is essential for deploying reliable Graph Neural Networks (GNNs), where existing approaches primarily rely on Bayesian inference or ensembles. In this paper, we introduce the first credal graph neural networks…

机器学习 · 计算机科学 2025-12-03 Matteo Tolloso , Davide Bacciu

Temporal Graph Neural Networks (TGNNs) are widely used to model dynamic systems where relationships and features evolve over time. Although TGNNs demonstrate strong predictive capabilities in these domains, their complex architectures pose…

机器学习 · 计算机科学 2025-07-09 Zhan Qu , Daniel Gomm , Michael Färber

Evaluating machine learning (ML) model bias is key to building trustworthy and robust ML systems. Counterfactual Fairness (CF) audits allow the measurement of bias of ML models with a causal framework, yet their conclusions rely on a single…

机器学习 · 计算机科学 2026-01-07 Davi Valério , Chrysoula Zerva , Mariana Pinto , Ricardo Santos , André Carreiro

Advances in machine learning have led to graph neural network-based methods for drug discovery, yielding promising results in molecular design, chemical synthesis planning, and molecular property prediction. However, current graph neural…

定量方法 · 定量生物学 2021-07-13 Jiahua Rao , Shuangjia Zheng , Yuedong Yang

Generating explanations for graph neural networks (GNNs) has been studied to understand their behavior in analytical tasks such as graph classification. Existing approaches aim to understand the overall results of GNNs rather than providing…

机器学习 · 计算机科学 2024-01-10 Tingyang Chen , Dazhuo Qiu , Yinghui Wu , Arijit Khan , Xiangyu Ke , Yunjun Gao

Graph Neural Networks (GNNs) have shown great ability in modeling graph-structured data for various domains. However, GNNs are known as black-box models that lack interpretability. Without understanding their inner working, we cannot fully…

机器学习 · 计算机科学 2022-10-06 Enyan Dai , Suhang Wang

Graph contrastive learning (GCL) has emerged as a representative graph self-supervised method, achieving significant success. The currently prevalent optimization objective for GCL is InfoNCE. Typically, it employs augmentation techniques…

机器学习 · 计算机科学 2024-03-22 Yulan Hu , Sheng Ouyang , Jingyu Liu , Ge Chen , Zhirui Yang , Junchen Wan , Fuzheng Zhang , Zhongyuan Wang , Yong Liu

Recently, Graph Neural Network (GNN)-based vulnerability detection systems have achieved remarkable success. However, the lack of explainability poses a critical challenge to deploy black-box models in security-related domains. For this…

密码学与安全 · 计算机科学 2024-01-29 Sicong Cao , Xiaobing Sun , Xiaoxue Wu , David Lo , Lili Bo , Bin Li , Wei Liu