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Graph neural networks (GNNs) have various practical applications, such as drug discovery, recommendation engines, and chip design. However, GNNs lack transparency as they cannot provide understandable explanations for their predictions. To…

Machine Learning · Computer Science 2023-06-09 Samidha Verma , Burouj Armgaan , Sourav Medya , Sayan Ranu

Graph Neural Networks (GNNs) have become the standard for graph representation learning but remain vulnerable to structural perturbations. We propose a novel framework that integrates persistent homology features with stability…

Machine Learning · Computer Science 2025-12-17 Jelena Losic

We investigate the explainability of graph neural networks (GNNs) as a step toward elucidating their working mechanisms. While most current methods focus on explaining graph nodes, edges, or features, we argue that, as the inherent…

Machine Learning · Computer Science 2024-01-02 Shurui Gui , Hao Yuan , Jie Wang , Qicheng Lao , Kang Li , Shuiwang Ji

Despite the recent progress in Graph Neural Networks (GNNs), it remains challenging to explain the predictions made by GNNs. Existing explanation methods mainly focus on post-hoc explanations where another explanatory model is employed to…

Machine Learning · Computer Science 2021-12-03 Zaixi Zhang , Qi Liu , Hao Wang , Chengqiang Lu , Cheekong Lee

Graph is a fundamental mathematical structure in characterizing relations between different objects and has been widely used on various learning tasks. Most methods implicitly assume a given graph to be accurate and complete. However, real…

Machine Learning · Computer Science 2024-03-07 Xuanting Xie , Zhao Kang , Wenyu Chen

Stability of graph neural networks (GNNs) characterizes how GNNs react to graph perturbations and provides guarantees for architecture performance in noisy scenarios. This paper develops a self-regularized graph neural network (SR-GNN)…

Signal Processing · Electrical Eng. & Systems 2022-11-15 Zhan Gao , Elvin Isufi

This paper analyzes neural networks through graph variables and statistical sufficiency. We interpret neural network layers as graph-based transformations, where neurons act as pairwise functions between inputs and learned anchor points.…

Machine Learning · Computer Science 2025-08-11 Cencheng Shen , Yuexiao Dong

In this paper, we propose Graph Retention Networks (GRNs) as a unified architecture for deep learning on dynamic graphs. The GRN extends the concept of retention into dynamic graph data as graph retention, equipping the model with three key…

Machine Learning · Computer Science 2026-04-14 Qian Chang , Xia Li , Xiufeng Cheng , Runsong Jia , Jinqing Yang , Guoping Hu , Ciprian Doru Giurcaneanu

A plethora of methods have been proposed to explain how deep neural networks reach their decisions but comparatively, little effort has been made to ensure that the explanations produced by these methods are objectively relevant. While…

Machine Learning · Computer Science 2021-11-10 Thomas Fel , David Vigouroux , Rémi Cadène , Thomas Serre

Graph neural networks are popular architectures for graph machine learning, based on iterative computation of node representations of an input graph through a series of invariant transformations. A large class of graph neural networks…

Machine Learning · Computer Science 2024-06-11 Ben Finkelshtein , Xingyue Huang , Michael Bronstein , İsmail İlkan Ceylan

Dynamic graphs are widely used to represent evolving real-world networks. Temporal Graph Neural Networks (TGNNs) have emerged as a powerful tool for processing such graphs, but the lack of transparency and explainability limits their…

Machine Learning · Computer Science 2025-12-30 Xuyan Li , Jie Wang , Zheng Yan

Recent advancements in graph diffusion models (GDMs) have enabled the synthesis of realistic network structures, yet ensuring fairness in the generated data remains a critical challenge. Existing solutions attempt to mitigate bias by…

Machine Learning · Computer Science 2025-07-08 Abdennacer Badaoui , Oussama Kharouiche , Hatim Mrabet , Daniele Malitesta , Fragkiskos D. Malliaros

Graph representation learning (GRL) has evolved from topology-only graph embeddings to task-specific supervised GNNs, and more recently to reusable representations and graph foundation models (GFMs). However, existing evaluations mainly…

Machine Learning · Computer Science 2026-05-08 Xiaoguang Guo , Zehong Wang , Ziming Li , Shawn Spitzel , Soonwoo Kwon , Tianyi Ma , Yanfang Ye , Chuxu Zhang

Graph learning plays a pivotal role and has gained significant attention in various application scenarios, from social network analysis to recommendation systems, for its effectiveness in modeling complex data relations represented by graph…

Machine Learning · Computer Science 2024-03-08 Man Wu , Xin Zheng , Qin Zhang , Xiao Shen , Xiong Luo , Xingquan Zhu , Shirui Pan

Graph Neural Networks (GNNs) have achieved impressive performance in graph-related tasks. However, they suffer from poor generalization on out-of-distribution (OOD) data, as they tend to learn spurious correlations. Such correlations…

Machine Learning · Statistics 2026-03-26 Bowen Lu , Liangqiang Yang , Teng Li

Graph neural networks (GNNs) fuel diverse machine learning tasks involving graph-structured data, ranging from predicting protein structures to serving personalized recommendations. Real-world graph data must often be stored distributed…

Machine Learning · Computer Science 2024-02-13 Aashish Kolluri , Sarthak Choudhary , Bryan Hooi , Prateek Saxena

In recent years, the remarkable success of graph neural networks (GNNs) on graph-structured data has prompted a surge of methods for explaining GNN predictions. However, the state-of-the-art for GNN explainability remains in flux. Different…

Machine Learning · Computer Science 2025-08-05 Jesse He , Akbar Rafiey , Gal Mishne , Yusu Wang

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…

Artificial Intelligence · Computer Science 2021-12-06 Anna Himmelhuber , Stephan Grimm , Sonja Zillner , Mitchell Joblin , Martin Ringsquandl , Thomas Runkler

Graph neural networks (GNNs) are designed to process data associated with graphs. They are finding an increasing range of applications; however, as with other modern machine learning techniques, their theoretical understanding is limited.…

Disordered Systems and Neural Networks · Physics 2026-02-23 O. Duranthon , L. Zdeborová

Recent advances in neural algorithmic reasoning with graph neural networks (GNNs) are propped up by the notion of algorithmic alignment. Broadly, a neural network will be better at learning to execute a reasoning task (in terms of sample…

Machine Learning · Computer Science 2022-10-12 Andrew Dudzik , Petar Veličković
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