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We explore the node classification task in the context of graph domain adaptation, which uses both source and target graph structures along with source labels to enhance the generalization capabilities of Graph Neural Networks (GNNs) on…

Machine Learning · Computer Science 2025-12-15 Haiyang Yu , Meng-Chieh Lee , Xiang song , Qi Zhu , Christos Faloutsos

Graph neural networks (GNNs) have garnered significant attention due to their ability to represent graph data. Among various GNN variants, graph attention network (GAT) stands out since it is able to dynamically learn the importance of…

Machine Learning · Computer Science 2024-08-19 Tiqiao Wei , Ye Yuan

Graph Neural Networks (graph NNs) are a promising deep learning approach for analyzing graph-structured data. However, it is known that they do not improve (or sometimes worsen) their predictive performance as we pile up many layers and add…

Machine Learning · Computer Science 2021-01-07 Kenta Oono , Taiji Suzuki

Graph neural networks (GNNs), has been widely used for supervised learning tasks in graphs reaching state-of-the-art results. However, little work was dedicated to creating unbiased GNNs, i.e., where the classification is uncorrelated with…

Machine Learning · Computer Science 2021-08-20 Uriel Singer , Kira Radinsky

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) 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

Graph neural networks (GNNs) work remarkably well in semi-supervised node regression, yet a rigorous theory explaining when and why they succeed remains lacking. To address this gap, we study an aggregate-and-readout model that encompasses…

Machine Learning · Statistics 2026-02-20 Juntong Chen , Claire Donnat , Olga Klopp , Johannes Schmidt-Hieber

Graph regression is a fundamental task that has gained significant attention in various graph learning tasks. However, the inference process is often not easily interpretable. Current explanation techniques are limited to understanding…

Machine Learning · Computer Science 2024-10-25 Jiaxing Zhang , Zhuomin Chen , Hao Mei , Longchao Da , Dongsheng Luo , Hua Wei

Graph classification is an important area in both modern research and industry. Multiple applications, especially in chemistry and novel drug discovery, encourage rapid development of machine learning models in this area. To keep up with…

Machine Learning · Computer Science 2022-11-08 Jakub Adamczyk

A large number of real-world networks include multiple types of nodes and edges. Graph Neural Network (GNN) emerged as a deep learning framework to generate node and graph embeddings for downstream machine learning tasks. However, popular…

Machine Learning · Computer Science 2024-11-26 Ziynet Nesibe Kesimoglu , Serdar Bozdag

We propose the fully explainable Decision Tree Graph Neural Network (DT+GNN) architecture. In contrast to existing black-box GNNs and post-hoc explanation methods, the reasoning of DT+GNN can be inspected at every step. To achieve this, we…

Machine Learning · Computer Science 2022-05-27 Peter Müller , Lukas Faber , Karolis Martinkus , Roger Wattenhofer

As Graph Neural Networks (GNNs) have been widely used in real-world applications, model explanations are required not only by users but also by legal regulations. However, simultaneously achieving high fidelity and low computational costs…

Machine Learning · Computer Science 2023-06-12 Yao Rong , Guanchu Wang , Qizhang Feng , Ninghao Liu , Zirui Liu , Enkelejda Kasneci , Xia Hu

Graph Neural Networks (GNNs) are versatile, powerful machine learning methods that enable graph structure and feature representation learning, and have applications across many domains. For applications critically requiring interpretation,…

Machine Learning · Computer Science 2020-07-02 Chris Lin , Gerald J. Sun , Krishna C. Bulusu , Jonathan R. Dry , Marylens Hernandez

Graph Neural Networks (GNNs) are deep-learning architectures designed for graph-type data, where understanding relationships among individual observations is crucial. However, achieving promising GNN performance, especially on unseen data,…

Machine Learning · Computer Science 2024-05-22 Lequan Lin , Dai Shi , Andi Han , Zhiyong Wang , Junbin Gao

Currently, attention mechanisms have garnered increasing attention in Graph Neural Networks (GNNs), such as Graph Attention Networks (GATs) and Graph Transformers (GTs). It is not only due to the commendable boost in performance they offer…

Machine Learning · Computer Science 2024-10-10 Lijie Hu , Tianhao Huang , Lu Yu , Wanyu Lin , Tianhang Zheng , Di Wang

Massive deployment of Graph Neural Networks (GNNs) in high-stake applications generates a strong demand for explanations that are robust to noise and align well with human intuition. Most existing methods generate explanations by…

Machine Learning · Computer Science 2022-07-14 Mohit Bajaj , Lingyang Chu , Zi Yu Xue , Jian Pei , Lanjun Wang , Peter Cho-Ho Lam , Yong Zhang

With the growing popularity of artificial intelligence used for scientific applications, the ability of attribute a result to a reasoning process from the network is in high demand for robust scientific generalizations to hold. In this work…

High Energy Physics - Experiment · Physics 2025-09-18 Margaret Voetberg , Vitor F. Grizzi , Giuseppe Cerati , Hadi Meidani , V Hewes

Graph neural networks (GNNs) have led to major breakthroughs in a variety of domains such as drug discovery, social network analysis, and travel time estimation. However, they lack interpretability which hinders human trust and thereby…

Machine Learning · Computer Science 2023-12-05 Jonas Jürß , Lucie Charlotte Magister , Pietro Barbiero , Pietro Liò , Nikola Simidjievski

Unraveling the complexities of Gene Regulatory Networks (GRNs) is crucial for understanding cellular processes and disease mechanisms. Traditional computational methods often struggle with the dynamic nature of these networks. This study…

Machine Learning · Computer Science 2025-03-04 Hakan T. Otal , Abdulhamit Subasi , Furkan Kurt , M. Abdullah Canbaz , Yasin Uzun

Node representation learning has demonstrated its efficacy for various applications on graphs, which leads to increasing attention towards the area. However, fairness is a largely under-explored territory within the field, which may lead to…

Machine Learning · Computer Science 2022-01-24 O. Deniz Kose , Yanning Shen
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