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Link prediction is a core challenge in graph machine learning, demanding models that capture rich and complex topological dependencies. While Graph Neural Networks (GNNs) are the standard solution, state-of-the-art pipelines often rely on…

Machine Learning · Computer Science 2026-02-03 Quang Truong , Yu Song , Donald Loveland , Mingxuan Ju , Tong Zhao , Neil Shah , Jiliang Tang

Link prediction is a fundamental task in dynamic graph learning (DGL), inherently shaped by the topology of the DG. Recent advancements in dynamic graph neural networks (DGNN), primarily by modeling the relationships among nodes via a…

Machine Learning · Computer Science 2025-04-29 Ling Wang , Minglian Han

Graph neural networks (GNNs) have struggled to outperform traditional optimization methods on combinatorial problems, limiting their practical impact. We address this gap by introducing a novel chaining procedure for the graph alignment…

Machine Learning · Computer Science 2025-10-06 Marc Lelarge

Graph Neural Networks (GNNs) are widely adopted for fault diagnosis in microservice systems, premised on their ability to model service dependencies. However, the necessity of explicit graph structures remains underexamined, as existing…

Software Engineering · Computer Science 2025-03-11 Fei Gao , Ruyue Xin , Xiaocui Li , Yaqiang Zhang

Graph representation learning on Analog-Mixed Signal (AMS) circuits is crucial for various downstream tasks, e.g., parasitic estimation. However, the scarcity of design data, the unbalanced distribution of labels, and the inherent diversity…

Machine Learning · Computer Science 2025-10-13 Shan Shen , Shenglu Hua , Jiajun Zou , Jiawei Liu , Jianwang Zhai , Chuan Shi , Wenjian Yu

Many Graph Neural Networks (GNNs) perform poorly compared to simple heuristics on Link Prediction (LP) tasks. This is due to limitations in expressive power such as the inability to count triangles (the backbone of most LP heuristics) and…

The design and optimization of Printed Circuit Board (PCB) schematics is crucial for the development of high-quality electronic devices. Thereby, an important task is to optimize drafts by adding components that improve the robustness and…

Machine Learning · Computer Science 2025-06-13 Pascal Plettenberg , André Alcalde , Bernhard Sick , Josephine M. Thomas

Here, we develop a framework for the prediction and screening of native defects and functional impurities in a chemical space of Group IV, III-V, and II-VI zinc blende (ZB) semiconductors, powered by crystal Graph-based Neural Networks…

Modeling complex spatial and temporal correlations in the correlated time series data is indispensable for understanding the traffic dynamics and predicting the future status of an evolving traffic system. Recent works focus on designing…

Machine Learning · Computer Science 2020-10-23 Lei Bai , Lina Yao , Can Li , Xianzhi Wang , Can Wang

Graph neural networks (GNNs) have shown great potential in learning on graphs, but they are known to perform sub-optimally on link prediction tasks. Existing GNNs are primarily designed to learn node-wise representations and usually fail to…

Machine Learning · Computer Science 2025-06-17 Tianyi Zhang , Haoteng Yin , Rongzhe Wei , Pan Li , Anshumali Shrivastava

Link prediction is a fundamental problem in graph data analysis. While most of the literature focuses on transductive link prediction that requires all the graph nodes and majority of links in training, inductive link prediction, which only…

Machine Learning · Computer Science 2021-10-01 Huidong Liang , Junbin Gao

Graph Neural Networks (GNNs) and their message passing framework that leverages both structural and feature information, have become a standard method for solving graph-based machine learning problems. However, these approaches still…

Machine Learning · Computer Science 2024-11-20 Simon Delarue , Thomas Bonald , Tiphaine Viard

Graph Neural Networks (GNNs) aim to extend deep learning techniques to graph data and have achieved significant progress in graph analysis tasks (e.g., node classification) in recent years. However, similar to other deep neural networks…

Human-Computer Interaction · Computer Science 2022-04-08 Zhihua Jin , Yong Wang , Qianwen Wang , Yao Ming , Tengfei Ma , Huamin Qu

The quality of graph-structured data is fundamental to the success of modern graph analysis techniques such as Graph Neural Networks (GNNs). However, real-world graph data is often suboptimal, suffering from issues such as noise and…

Machine Learning · Computer Science 2026-05-19 Shen Han , Zhiyao Zhou , Jiawei Chen , Sheng Zhou , Canghong Jin , Hai Lin , Da Zhong Li , Bingde Hu , Can Wang

Recent advancements in graph neural networks (GNNs) for link prediction have introduced sophisticated training techniques and model architectures. However, reliance on outdated baselines may exaggerate the benefits of these new approaches.…

Machine Learning · Computer Science 2025-08-29 Weishuo Ma , Yanbo Wang , Xiyuan Wang , Muhan Zhang

Graph neural networks (GNN) have been shown to provide substantial performance improvements for atomistic material representation and modeling compared with descriptor-based machine learning models. While most existing GNN models for…

Materials Science · Physics 2022-04-08 Kamal Choudhary , Brian DeCost

Over the past few years, graph neural networks (GNN) and label propagation-based methods have made significant progress in addressing node classification tasks on graphs. However, in addition to their reliance on elaborate architectures and…

Machine Learning · Computer Science 2021-10-18 Yangkun Wang , Jiarui Jin , Weinan Zhang , Yong Yu , Zheng Zhang , David Wipf

Nowadays online users prefer to join multiple social media for the purpose of socialized online service. The problem \textit{anchor link prediction} is formalized to link user data with the common ground on user profile, content and network…

Social and Information Networks · Computer Science 2021-03-22 Hao Gao , Yongqing Wang , Shanshan Lyu , Huawei Shen , Xueqi Cheng

The task of inferring the missing links in a graph based on its current structure is referred to as link prediction. Link prediction methods that are based on pairwise node similarity are well-established approaches in the literature. They…

Social and Information Networks · Computer Science 2020-08-21 Md Kamrul Islam , Sabeur Aridhi , Malika Smail-Tabbone

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