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Related papers: Benchmarking Graph Neural Networks

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Graph neural networks (GNNs) have achieved tremendous success in the task of graph classification and its diverse downstream real-world applications. Despite the huge success in learning graph representations, current GNN models have…

Social and Information Networks · Computer Science 2023-09-07 Xin Wang , Heng Chang , Beini Xie , Tian Bian , Shiji Zhou , Daixin Wang , Zhiqiang Zhang , Wenwu Zhu

We present a graph processing benchmark suite with the goal of helping to standardize graph processing evaluations. Fewer differences between graph processing evaluations will make it easier to compare different research efforts and…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-05-18 Scott Beamer , Krste Asanović , David Patterson

While machine learning on graphs has demonstrated promise in drug design and molecular property prediction, significant benchmarking challenges hinder its further progress and relevance. Current benchmarking practices often lack focus on…

Graphs play an important role in many applications. Recently, Graph Neural Networks (GNNs) have achieved promising results in graph analysis tasks. Some state-of-the-art GNN models have been proposed, e.g., Graph Convolutional Networks…

Machine Learning · Computer Science 2021-09-29 Yaoman Li , Irwin King

Following a fast initial breakthrough in graph based learning, Graph Neural Networks (GNNs) have reached a widespread application in many science and engineering fields, prompting the need for methods to understand their decision process.…

Machine Learning · Computer Science 2026-05-04 Antonio Longa , Steve Azzolin , Gabriele Santin , Giulia Cencetti , Pietro Liò , Bruno Lepri , Andrea Passerini

Graph Neural Networks (GNNs) have emerged as a powerful tool to capture intricate network patterns, achieving success across different domains. However, existing GNNs require careful domain-specific architecture designs and training from…

Machine Learning · Computer Science 2025-05-30 Jingzhe Liu , Haitao Mao , Zhikai Chen , Bingheng Li , Wenqi Fan , Mingxuan Ju , Tong Zhao , Neil Shah , Jiliang Tang

Graph mining has become crucial in fields such as social science, finance, and cybersecurity. Many large-scale real-world networks exhibit both heterogeneity, where multiple node and edge types exist in the graph, and heterophily, where…

Machine Learning · Computer Science 2025-06-04 Junhong Lin , Xiaojie Guo , Shuaicheng Zhang , Yada Zhu , Julian Shun

Graphs are ubiquitous in nature and can therefore serve as models for many practical but also theoretical problems. For this purpose, they can be defined as many different types which suitably reflect the individual contexts of the…

Machine Learning · Computer Science 2023-04-27 Josephine M. Thomas , Alice Moallemy-Oureh , Silvia Beddar-Wiesing , Clara Holzhüter

Graph Neural Networks (GNNs) are routinely used in molecular physics, social sciences, and economics to model many-body interactions in graph-like systems. However, GNNs are inherently local and can suffer from information flow bottlenecks.…

Computational Physics · Physics 2025-02-21 Alessandro Caruso , Jacopo Venturin , Lorenzo Giambagli , Edoardo Rolando , Frank Noé , Cecilia Clementi

The ability to discriminate between generative graph models is critical to understanding complex structural patterns in both synthetic graphs and the real-world structures that they emulate. While Graph Neural Networks (GNNs) have seen…

Machine Learning · Computer Science 2025-12-23 Janek Dyer , Jagdeep Ahluwalia , Javad Zarrin

Graphs are a powerful data structure to represent relational data and are widely used to describe complex real-world data structures. Probabilistic Graphical Models (PGMs) have been well-developed in the past years to mathematically model…

Artificial Intelligence · Computer Science 2023-01-31 Chenqing Hua , Sitao Luan , Qian Zhang , Jie Fu

Graph neural networks (GNNs) emerge as a powerful family of representation learning models on graphs. To derive node representations, they utilize a global model that recursively aggregates information from the neighboring nodes. However,…

Machine Learning · Computer Science 2021-11-04 Zemin Liu , Yuan Fang , Chenghao Liu , Steven C. H. Hoi

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…

In many important graph data processing applications the acquired information includes both node features and observations of the graph topology. Graph neural networks (GNNs) are designed to exploit both sources of evidence but they do not…

Machine Learning · Computer Science 2021-10-28 Eli Chien , Jianhao Peng , Pan Li , Olgica Milenkovic

Learning distributed representations of source code has been a challenging task for machine learning models. Earlier works treated programs as text so that natural language methods can be readily applied. Unfortunately, such approaches do…

Software Engineering · Computer Science 2020-05-28 Yu Wang , Fengjuan Gao , Linzhang Wang , Ke Wang

In this paper, we review recent developments and the role of Graph Neural Networks (GNNs) in computational drug discovery, including molecule generation, molecular property prediction, and drug-drug interaction prediction. By summarizing…

Machine Learning · Computer Science 2025-06-03 Zhengyu Fang , Xiaoge Zhang , Anyin Zhao , Xiao Li , Huiyuan Chen , Jing Li

Networks are ubiquitous in the real world. Link prediction, as one of the key problems for network-structured data, aims to predict whether there exists a link between two nodes. The traditional approaches are based on the explicit…

Machine Learning · Computer Science 2021-06-01 Wei Wu , Bin Li , Chuan Luo , Wolfgang Nejdl

Graph neural networks (GNNs) have been widely used in representation learning on graphs and achieved state-of-the-art performance in tasks such as node classification and link prediction. However, most existing GNNs are designed to learn…

Machine Learning · Computer Science 2020-02-06 Seongjun Yun , Minbyul Jeong , Raehyun Kim , Jaewoo Kang , Hyunwoo J. Kim

Graph Neural Networks (GNNs) have emerged as a powerful tool for semi-supervised node classification tasks. However, recent studies have revealed various biases in GNNs stemming from both node features and graph topology. In this work, we…

Machine Learning · Computer Science 2023-05-26 Haoyu Han , Xiaorui Liu , Feng Shi , MohamadAli Torkamani , Charu C. Aggarwal , Jiliang Tang

Graph Neural Networks (GNNs) have emerged as powerful representation learning tools for capturing complex dependencies within diverse graph-structured data. Despite their success in a wide range of graph mining tasks, GNNs have raised…

Machine Learning · Computer Science 2024-06-19 Wenzhao Jiang , Hao Liu , Hui Xiong