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Graphs are fundamental data structures for modeling complex interactions in domains such as social networks, molecular structures, and biological systems. Graph-level tasks, which involve predicting properties or labels for entire graphs,…

Machine Learning · Computer Science 2026-04-10 Haoyang Li , Yuming Xu , Alexander Zhou , Yongqi Zhang , Jason Chen Zhang , Lei Chen , Qing Li

In the field of deep learning, Graph Neural Networks (GNNs) and Graph Transformer models, with their outstanding performance and flexible architectural designs, have become leading technologies for processing structured data, especially…

Machine Learning · Computer Science 2025-02-04 Jiawei E , Yinglong Zhang , Xuewen Xia , Xing Xu

Graph Neural Networks (GNNs) have achieved remarkable success in various applications, but their performance can be sensitive to specific data properties of the graph datasets they operate on. Current literature on understanding the…

Machine Learning · Computer Science 2023-10-31 Ting Wei Li , Qiaozhu Mei , Jiaqi Ma

Experimental reproducibility and replicability are critical topics in machine learning. Authors have often raised concerns about their lack in scientific publications to improve the quality of the field. Recently, the graph representation…

Machine Learning · Computer Science 2022-02-21 Federico Errica , Marco Podda , Davide Bacciu , Alessio Micheli

Deep learning's performance has been extensively recognized recently. Graph neural networks (GNNs) are designed to deal with graph-structural data that classical deep learning does not easily manage. Since most GNNs were created using…

Machine Learning · Computer Science 2023-09-20 Zhiqian Chen , Fanglan Chen , Lei Zhang , Taoran Ji , Kaiqun Fu , Liang Zhao , Feng Chen , Lingfei Wu , Charu Aggarwal , Chang-Tien Lu

Widespread applications of deep neural networks (DNNs) benefit from DNN testing to guarantee their quality. In the DNN testing, numerous test cases are fed into the model to explore potential vulnerabilities, but they require expensive…

Software Engineering · Computer Science 2022-11-02 Jinyin Chen , Jie Ge , Haibin Zheng

Graph neural networks have emerged as a powerful tool for graph representation learning, but their performance heavily relies on abundant task-specific supervision. To reduce labeling requirement, the "pre-train, prompt" paradigms have…

Machine Learning · Computer Science 2024-08-27 Xingtong Yu , Zhenghao Liu , Yuan Fang , Zemin Liu , Sihong Chen , Xinming Zhang

Graph neural networks (GNNs) have been demonstrated to achieve state-of-the-art for a number of graph-based learning tasks, which leads to a rise in their employment in various domains. However, it has been shown that GNNs may inherit and…

Machine Learning · Computer Science 2022-05-23 O. Deniz Kose , Yanning Shen

Graph neural networks (GNNs) have emerged as a promising solution to deal with unstructured data, outperforming traditional deep learning architectures. However, most of the current GNN models are designed to work with a single graph, which…

Machine Learning · Computer Science 2024-11-11 Victor M. Tenorio , Antonio G. Marques

Graph neural networks (GNNs) have achieved remarkable performance on graph-structured data. However, GNNs may inherit prejudice from the training data and make discriminatory predictions based on sensitive attributes, such as gender and…

Machine Learning · Computer Science 2024-01-31 Yibo Li , Xiao Wang , Yujie Xing , Shaohua Fan , Ruijia Wang , Yaoqi Liu , Chuan Shi

In recent years, pre-trained graph neural networks (GNNs) have been developed as general models which can be effectively fine-tuned for various potential downstream tasks in materials science, and have shown significant improvements in…

Materials Science · Physics 2025-03-04 Shuyi Jia , Shitij Govil , Manav Ramprasad , Victor Fung

Recent advancements in graph learning have revolutionized the way to understand and analyze data with complex structures. Notably, Graph Neural Networks (GNNs), i.e. neural network architectures designed for learning graph representations,…

Machine Learning · Computer Science 2024-07-09 Yu Huang , Min Zhou , Menglin Yang , Zhen Wang , Muhan Zhang , Jie Wang , Hong Xie , Hao Wang , Defu Lian , Enhong Chen

We present GERN, a novel scalable framework for training GNNs in node classification tasks, based on effective resistance, a standard tool in spectral graph theory. Our method progressively refines the GNN weights on a sequence of random…

Machine Learning · Computer Science 2025-02-25 Francesco Bonchi , Claudio Gentile , Francesco Paolo Nerini , André Panisson , Fabio Vitale

Graph Neural Networks (GNNs) have exploded onto the machine learning scene in recent years owing to their capability to model and learn from graph-structured data. Such an ability has strong implications in a wide variety of fields whose…

Machine Learning · Computer Science 2021-07-26 Sergi Abadal , Akshay Jain , Robert Guirado , Jorge López-Alonso , Eduard Alarcón

In this paper, we study using graph neural networks (GNNs) for \textit{multi-node representation learning}, where a representation for a set of more than one node (such as a link) is to be learned. Existing GNNs are mainly designed to learn…

Machine Learning · Computer Science 2025-03-11 Xiyuan Wang , Pan Li , Muhan Zhang

While Graph Neural Networks (GNNs) are remarkably successful in a variety of high-impact applications, we demonstrate that, in link prediction, the common practices of including the edges being predicted in the graph at training and/or test…

Machine Learning · Computer Science 2023-12-19 Jing Zhu , Yuhang Zhou , Vassilis N. Ioannidis , Shengyi Qian , Wei Ai , Xiang Song , Danai Koutra

Recently, researches have explored the graph neural network (GNN) techniques on text classification, since GNN does well in handling complex structures and preserving global information. However, previous methods based on GNN are mainly…

Computation and Language · Computer Science 2019-10-09 Lianzhe Huang , Dehong Ma , Sujian Li , Xiaodong Zhang , Houfeng WANG

Recent years have seen the vast potential of Graph Neural Networks (GNN) in many fields where data is structured as graphs (e.g., chemistry, recommender systems). In particular, GNNs are becoming increasingly popular in the field of…

Graph neural networks (GNNs) have demonstrated a significant boost in prediction performance on graph data. At the same time, the predictions made by these models are often hard to interpret. In that regard, many efforts have been made to…

Machine Learning · Computer Science 2023-05-24 Yiqiao Li , Jianlong Zhou , Sunny Verma , Fang Chen

Knowledge graphs have emerged to be promising datastore candidates for context augmentation during Retrieval Augmented Generation (RAG). As a result, techniques in graph representation learning have been simultaneously explored alongside…

Information Retrieval · Computer Science 2025-03-20 Md Shahir Zaoad , Niamat Zawad , Priyanka Ranade , Richard Krogman , Latifur Khan , James Holt