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Diverse explainability methods of graph neural networks (GNN) have recently been developed to highlight the edges and nodes in the graph that contribute the most to the model predictions. However, it is not clear yet how to evaluate the…

Artificial Intelligence · Computer Science 2023-11-07 Kenza Amara , Mennatallah El-Assady , Rex Ying

Graph neural networks (GNNs) are widely used as surrogates for costly experiments and first-principles simulations to study the behavior of compounds at atomistic scale, and their architectural complexity is constantly increasing to enable…

Machine Learning · Computer Science 2026-05-04 Arindam Chowdhury , Massimiliano Lupo Pasini

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

Graph Neural Networks (GNNs) have been highly successful for the node classification task. GNNs typically assume graphs are homophilic, i.e. neighboring nodes are likely to belong to the same class. However, a number of real-world graphs…

Machine Learning · Computer Science 2024-09-20 Yurui Lai , Taiyan Zhang , Rui Fan

Graph attention networks (GATs) are widely used and often appear robust to noise in node covariates and edges, yet rigorous statistical guarantees demonstrating a provable advantage of GATs over non-attention graph neural networks~(GNNs)…

Machine Learning · Statistics 2026-02-02 Somak Laha , Suqi Liu , Morgane Austern

Graph neural networks (GNNs) have excelled in various graph learning tasks, particularly node classification. However, their performance is often hampered by noisy measurements in real-world graphs, which can corrupt critical patterns in…

Machine Learning · Computer Science 2025-03-14 Shuyi Chen , Kaize Ding , Shixiang Zhu

We consider the explanation problem of Graph Neural Networks (GNNs). Most existing GNN explanation methods identify the most important edges or nodes but fail to consider substructures, which are more important for graph data. The only…

Machine Learning · Computer Science 2023-02-28 Zhaoning Yu , Hongyang Gao

Graph neural networks (GNNs) excel in graph representation learning by integrating graph structure and node features. Existing GNNs, unfortunately, fail to account for the uncertainty of class probabilities that vary with the depth of the…

Machine Learning · Computer Science 2025-06-17 Qingfeng Chen , Shiyuan Li , Yixin Liu , Shirui Pan , Geoffrey I. Webb , Shichao Zhang

Graph Neural Networks (GNNs) have become a standard approach for learning from graph-structured data. However, their reliance on parametric classifiers (most often linear softmax layers) limits interpretability and sometimes hinders…

Machine Learning · Computer Science 2026-02-03 Zeljko Bolevic , Milos Brajovic , Isidora Stankovic , Ljubisa Stankovic

Fault location in distribution grids is critical for reliability and minimizing outage durations. Yet, it remains challenging due to partial observability, given sparse measurement infrastructure. Recent works show promising results by…

Machine Learning · Computer Science 2026-05-11 Burak Karabulut , Carlo Manna , Chris Develder

Attention mechanism is effective in both focusing the deep learning models on relevant features and interpreting them. However, attentions may be unreliable since the networks that generate them are often trained in a weakly-supervised…

Machine Learning · Statistics 2020-06-11 Jay Heo , Hae Beom Lee , Saehoon Kim , Juho Lee , Kwang Joon Kim , Eunho Yang , Sung Ju Hwang

Graph Neural Networks (GNNs), particularly Graph Convolutional Neural Networks (GCNNs), have emerged as pivotal instruments in machine learning and signal processing for processing graph-structured data. This paper proposes an analysis…

Machine Learning · Statistics 2024-11-04 Xinjue Wang , Esa Ollila , Sergiy A. Vorobyov

In recent years, we have witnessed a surge of Graph Neural Networks (GNNs), most of which can learn powerful representations in an end-to-end fashion with great success in many real-world applications. They have resemblance to Probabilistic…

Machine Learning · Computer Science 2023-08-03 Zhen Zhang , Mohammed Haroon Dupty , Fan Wu , Javen Qinfeng Shi , Wee Sun Lee

Fuzzy Graph Attention Network (FGAT), which combines Fuzzy Rough Sets and Graph Attention Networks, has shown promise in tasks requiring robust graph-based learning. However, existing models struggle to effectively capture dependencies from…

Machine Learning · Computer Science 2024-12-24 Jinming Xing , Dongwen Luo , Qisen Cheng , Chang Xue , Ruilin Xing

In the current context of accelerated globalization and digitalization, the complexity and uncertainty of financial markets are increasing, and the identification and prevention of economic risks have become a key link in maintaining the…

Statistical Finance · Quantitative Finance 2024-11-20 Xin Zhang , Zhen Xu , Yue Liu , Mengfang Sun , Tong Zhou , Wenying Sun

This work provides a comprehensive derivation of the parameter gradients for GATv2 [4], a widely used implementation of Graph Attention Networks (GATs). GATs have proven to be powerful frameworks for processing graph-structured data and,…

Machine Learning · Computer Science 2023-04-24 Marion Neumeier , Andreas Tollkühn , Sebastian Dorn , Michael Botsch , Wolfgang Utschick

Graph Neural Networks (GNNs) have shown great power in learning node representations on graphs. However, they may inherit historical prejudices from training data, leading to discriminatory bias in predictions. Although some work has…

Machine Learning · Computer Science 2022-06-13 Yu Wang , Yuying Zhao , Yushun Dong , Huiyuan Chen , Jundong Li , Tyler Derr

We propose the joint graph attention neural network (GAT), clustering with adaptive neighbors (CAN) and probabilistic graphical model for dynamic power flow analysis and fault characteristics. In fact, computational efficiency is the main…

Machine Learning · Computer Science 2025-03-25 Tan Le , Van Le

Graph attention networks (GATs) are powerful tools for analyzing graph data from various real-world scenarios. To learn representations for downstream tasks, GATs generally attend to all neighbors of the central node when aggregating the…

Machine Learning · Computer Science 2022-10-31 Tiantian He , Haicang Zhou , Yew-Soon Ong , Gao Cong

The paradigm of Transformers using the self-attention mechanism has manifested its advantage in learning graph-structured data. Yet, Graph Transformers are capable of modeling full range dependencies but are often deficient in extracting…

Machine Learning · Computer Science 2024-09-11 Minhong Zhu , Zhenhao Zhao , Weiran Cai
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