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Graph Neural Networks (GNNs) have been widely applied to various fields due to their powerful representations of graph-structured data. Despite the success of GNNs, most existing GNNs are designed to learn node representations on the fixed…

Machine Learning · Computer Science 2021-06-14 Seongjun Yun , Minbyul Jeong , Sungdong Yoo , Seunghun Lee , Sean S. Yi , Raehyun Kim , Jaewoo Kang , Hyunwoo J. Kim

Graph Neural Networks (GNNs) are widely applied to graph learning problems such as node classification. When scaling up the underlying graphs of GNNs to a larger size, we are forced to either train on the complete graph and keep the full…

Machine Learning · Computer Science 2024-06-25 Mucong Ding , Tahseen Rabbani , Bang An , Evan Z Wang , Furong Huang

We demonstrate the applicability of model-agnostic algorithms for meta-learning, specifically Reptile, to GNN models in molecular regression tasks. Using meta-learning we are able to learn new chemical prediction tasks with only a few model…

Machine Learning · Computer Science 2022-11-28 Haitz Sáez de Ocáriz Borde , Federico Barbero

Explaining Graph Neural Networks (GNNs) has garnered significant attention due to the need for interpretability, enabling users to understand the behavior of these black-box models better and extract valuable insights from their…

Machine Learning · Computer Science 2025-06-03 Jiaxing Zhang , Xiaoou Liu , Dongsheng Luo , Hua Wei

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

Developing models that can learn to reason is a notoriously challenging problem. We focus on reasoning in relational domains, where the use of Graph Neural Networks (GNNs) seems like a natural choice. However, previous work has shown that…

Artificial Intelligence · Computer Science 2025-03-03 Irtaza Khalid , Steven Schockaert

Aside from graph neural networks (GNNs) attracting significant attention as a powerful framework revolutionizing graph representation learning, there has been an increasing demand for explaining GNN models. Although various explanation…

Machine Learning · Computer Science 2024-03-21 Yong-Min Shin , Sun-Woo Kim , Won-Yong Shin

In recent years, Graph Neural Networks (GNNs) have become successful in molecular property prediction tasks such as toxicity analysis. However, due to the black-box nature of GNNs, their outputs can be concerning in high-stakes…

Machine Learning · Computer Science 2024-10-22 Yinhan He , Zaiyi Zheng , Patrick Soga , Yaozhen Zhu , yushun Dong , Jundong Li

Unsupervised graph representation learning aims to learn low-dimensional node embeddings without supervision while preserving graph topological structures and node attributive features. Previous graph neural networks (GNN) require a large…

Machine Learning · Computer Science 2020-09-04 Yanqiao Zhu , Yichen Xu , Feng Yu , Shu Wu , Liang Wang

Interpretable graph neural networks (XGNNs ) are widely adopted in various scientific applications involving graph-structured data. Existing XGNNs predominantly adopt the attention-based mechanism to learn edge or node importance for…

Machine Learning · Computer Science 2024-06-13 Yongqiang Chen , Yatao Bian , Bo Han , James Cheng

Machine learning on graphs, especially using graph neural networks (GNNs), has seen a surge in interest due to the wide availability of graph data across a broad spectrum of disciplines, from life to social and engineering sciences. Despite…

This paper investigates the integration of graph neural networks (GNNs) with Qualitative Explainable Graphs (QXGs) for scene understanding in automated driving. Scene understanding is the basis for any further reactive or proactive…

Robotics · Computer Science 2025-04-18 Nassim Belmecheri , Arnaud Gotlieb , Nadjib Lazaar , Helge Spieker

Humans are capable of learning new concepts from small numbers of examples. In contrast, supervised deep learning models usually lack the ability to extract reliable predictive rules from limited data scenarios when attempting to classify…

Machine Learning · Computer Science 2020-07-17 Zhongjie Yu , Sebastian Raschka

Graph Neural Networks (GNNs) have received increasing attention in many fields. However, due to the lack of prior graphs, their use for semantic labeling has been limited. Here, we propose a novel architecture called the Self-Constructing…

Computer Vision and Pattern Recognition · Computer Science 2020-04-24 Qinghui Liu , Michael Kampffmeyer , Robert Jenssen , Arnt-Børre Salberg

Graph-based neural network models are gaining traction in the field of representation learning due to their ability to uncover latent topological relationships between entities that are otherwise challenging to identify. These models have…

Image and Video Processing · Electrical Eng. & Systems 2023-07-25 Aryan Singh , Pepijn Van de Ven , Ciarán Eising , Patrick Denny

We propose to study the problem of few shot graph classification in graph neural networks (GNNs) to recognize unseen classes, given limited labeled graph examples. Despite several interesting GNN variants being proposed recently for node…

Machine Learning · Computer Science 2022-05-03 Jatin Chauhan , Deepak Nathani , Manohar Kaul

Graph Neural Networks (GNNs) have superior capability in learning graph data. Full-graph GNN training generally has high accuracy, however, it suffers from large peak memory usage and encounters the Out-of-Memory problem when handling large…

Machine Learning · Computer Science 2024-06-10 Xizhi Gu , Hongzheng Li , Shihong Gao , Xinyan Zhang , Lei Chen , Yingxia Shao

Graph neural network (GNN) explainers identify the important subgraph that ensures the prediction for a given graph. Until now, almost all GNN explainers are based on association, which is prone to spurious correlations. We propose {\name},…

Machine Learning · Computer Science 2024-07-15 Arman Behnam , Binghui Wang

Malware detection in modern computing environments demands models that are not only accurate but also interpretable and robust to evasive techniques. Graph neural networks (GNNs) have shown promise in this domain by modeling rich structural…

Cryptography and Security · Computer Science 2026-05-26 Hossein Shokouhinejad , Roozbeh Razavi-Far , Griffin Higgins , Ali A Ghorbani

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
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