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In Graph Neural Networks (GNNs), the graph structure is incorporated into the learning of node representations. This complex structure makes explaining GNNs' predictions become much more challenging. In this paper, we propose PGM-Explainer,…

机器学习 · 计算机科学 2020-10-13 Minh N. Vu , My T. Thai

Complex systems can be effectively modeled via graphs that encode networked interactions, where relations between entities or nodes are often quantified by signed edge weights, e.g., promotion/inhibition in gene regulatory networks, or…

最优化与控制 · 数学 2024-04-05 Anqi Dong , Can Chen , Tryphon T. Georgiou

Graph Neural Networks (GNNs) have shown remarkable effectiveness in capturing abundant information in graph-structured data. However, the black-box nature of GNNs hinders users from understanding and trusting the models, thus leading to…

机器学习 · 计算机科学 2022-07-25 Jiaxuan Xie , Yezi Liu , Yanning Shen

Graph Transformers (GTs) have demonstrated a strong capability in modeling graph structures by addressing the intrinsic limitations of graph neural networks (GNNs), such as over-smoothing and over-squashing. Recent studies have proposed…

Graph Convolutional Networks (GCNs) are a popular method from graph representation learning that have proved effective for tasks like node classification tasks. Although typical GCN models focus on classifying nodes within a static graph,…

机器学习 · 计算机科学 2021-10-13 Yucai Fan , Yuhang Yao , Carlee Joe-Wong

Entity alignment aims to use pre-aligned seed pairs to find other equivalent entities from different knowledge graphs (KGs) and is widely used in graph fusion-related fields. However, as the scale of KGs increases, manually annotating…

计算与语言 · 计算机科学 2025-03-28 Tao Meng , Shuo Shan , Hongen Shao , Yuntao Shou , Wei Ai , Keqin Li

The growing adoption of Graph Neural Networks (GNNs) in high-stakes domains like healthcare and finance demands reliable explanations of their decision-making processes. While inherently interpretable GNN architectures like Graph…

机器学习 · 计算机科学 2025-05-27 Rishabh Bhattacharya , Hari Shankar , Vaishnavi Shivkumar , Ponnurangam Kumaraguru

Graph Neural Networks (GNNs) have become essential in high-stakes domains such as drug discovery, yet their black-box nature remains a significant barrier to trustworthiness. While self-explainable GNNs attempt to bridge this gap, they…

机器学习 · 计算机科学 2026-02-25 Chuqin Geng , Li Zhang , Haolin Ye , Ziyu Zhao , Yuhe Jiang , Tara Saba , Xinyu Wang , Xujie Si

Graph neural networks (GNNs) have proven their efficacy in a variety of real-world applications, but their underlying mechanisms remain a mystery. To address this challenge and enable reliable decision-making, many GNN explainers have been…

机器学习 · 计算机科学 2023-10-12 Yiqiao Li , Jianlong Zhou , Yifei Dong , Niusha Shafiabady , Fang Chen

Graph neural networks (GNNs) have achieved state-of-the-art results in computer vision and medical image classification tasks by capturing structural dependencies across data instances. However, their decision-making remains largely opaque,…

机器学习 · 计算机科学 2025-08-15 Prajit Sengupta , Islem Rekik

The inference of gene regulatory networks (GRNs) is a foundational stride towards deciphering the fundamentals of complex biological systems. Inferring a possible regulatory link between two genes can be formulated as a link prediction…

机器学习 · 计算机科学 2025-04-25 Binon Teji , Swarup Roy

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…

机器学习 · 计算机科学 2025-05-21 Yongyi Yang , Tang Liu , Yangkun Wang , Zengfeng Huang , David Wipf

In recent years, many recommender systems using network embedding (NE) such as graph neural networks (GNNs) have been extensively studied in the sense of improving recommendation accuracy. However, such attempts have focused mostly on…

信息检索 · 计算机科学 2022-05-20 Changwon Seo , Kyeong-Joong Jeong , Sungsu Lim , Won-Yong Shin

Temporal graph neural networks (TGNNs) outperform regular GNNs by incorporating time information into graph-based operations. However, TGNNs adopt specialized models (e.g., TGN, TGAT, and APAN ) and require tailored training frameworks…

机器学习 · 计算机科学 2024-09-19 Qiang Huang , Xiao Yan , Xin Wang , Susie Xi Rao , Zhichao Han , Fangcheng Fu , Wentao Zhang , Jiawei Jiang

Transparency and accountability have become major concerns for black-box machine learning (ML) models. Proper explanations for the model behavior increase model transparency and help researchers develop more accountable models. Graph neural…

机器学习 · 计算机科学 2023-05-09 Shichang Zhang , Jiani Zhang , Xiang Song , Soji Adeshina , Da Zheng , Christos Faloutsos , Yizhou Sun

Graph representation learning has recently been applied to a broad spectrum of problems ranging from computer graphics and chemistry to high energy physics and social media. The popularity of graph neural networks has sparked interest, both…

机器学习 · 计算机科学 2020-11-05 Fabrizio Frasca , Emanuele Rossi , Davide Eynard , Ben Chamberlain , Michael Bronstein , Federico Monti

Graph Neural Networks (GNNs) and Transformers share significant similarities in their encoding strategies for interacting with features from nodes of interest, where Transformers use query-key scores and GNNs use edges. Compared to GNNs,…

机器学习 · 计算机科学 2025-07-08 Jiaxin Qi , Yan Cui , Jinli Ou , Jianqiang Huang , Gaogang Xie

Capturing semantic consistency among nodes is crucial for effective graph representation learning. Existing approaches typically rely on $k$-nearest neighbors ($k$NN) or other node-level full search algorithms (FSA) to mine semantic…

人工智能 · 计算机科学 2026-05-06 Genhao Tian , Taihua Xu , Shuyin Xia , Qinghua Zhang , Jie Yang , Jianjun Chen

Existing rule-based explanations for Graph Neural Networks (GNNs) provide global interpretability but often optimize and assess fidelity in an intermediate, uninterpretable concept space, overlooking grounding quality for end users in the…

机器学习 · 计算机科学 2026-03-18 Chuqin Geng , Ziyu Zhao , Zhaoyue Wang , Haolin Ye , Yuhe Jiang , Xujie Si

Similarly to other connectionist models, Graph Neural Networks (GNNs) lack transparency in their decision-making. A number of sub-symbolic approaches have been developed to provide insights into the GNN decision making process. These are…

人工智能 · 计算机科学 2021-12-06 Anna Himmelhuber , Stephan Grimm , Sonja Zillner , Mitchell Joblin , Martin Ringsquandl , Thomas Runkler