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Graph Neural Networks (GNNs) have emerged as powerful tools for learning over structured data, including text-attributed graphs (TAGs), which are common in domains such as citation networks, social platforms, and knowledge graphs. GNNs are…

Machine Learning · Computer Science 2026-04-23 Peyman Baghershahi , Gregoire Fournier , Pranav Nyati , Sourav Medya

Subgraph GNNs enhance message-passing GNNs expressivity by representing graphs as sets of subgraphs, demonstrating impressive performance across various tasks. However, their scalability is hindered by the need to process large numbers of…

Machine Learning · Computer Science 2025-06-02 Guy Bar-Shalom , Yam Eitan , Fabrizio Frasca , Haggai Maron

We propose a Graph Neural Network with greater expressive power than commonly used GNNs - not constrained to only differentiate between graphs that Weisfeiler-Lehman test recognizes to be non-isomorphic. We use a graph attention network…

Machine Learning · Computer Science 2020-04-14 Stanisław Purgał

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…

Graph prediction problems prevail in data analysis and machine learning. The inverse prediction problem, namely to infer input data from given output labels, is of emerging interest in various applications. In this work, we develop…

Machine Learning · Statistics 2022-11-22 Chen Xu , Xiuyuan Cheng , Yao Xie

Graph Neural Network (GNN) aggregates the neighborhood of each node into the node embedding and shows its powerful capability for graph representation learning. However, most existing GNN variants aggregate the neighborhood information in a…

Machine Learning · Computer Science 2020-10-13 Chengsheng Mao , Liang Yao , Yuan Luo

Learning to reason about relations and dynamics over multiple interacting objects is a challenging topic in machine learning. The challenges mainly stem from that the interacting systems are exponentially-compositional, symmetrical, and…

Machine Learning · Computer Science 2022-03-15 Wenbing Huang , Jiaqi Han , Yu Rong , Tingyang Xu , Fuchun Sun , Junzhou Huang

Graph neural networks (GNNs) are powerful tools on graph data. However, their predictions are mis-calibrated and lack interpretability, limiting their adoption in critical applications. To address this issue, we propose a new…

Machine Learning · Computer Science 2025-08-26 Lingkai Kong , Haotian Sun , Yuchen Zhuang , Haorui Wang , Wenhao Mu , Chao Zhang

Graph neural networks (GNNs) face significant challenges with class imbalance, leading to biased inference results. To address this issue in heterogeneous graphs, we propose a novel framework that combines Graph Neural Network (GNN) and…

Machine Learning · Computer Science 2024-11-26 Hung-Chun Hsu , Bo-Jun Wu , Ming-Yi Hong , Che Lin , Chih-Yu Wang

In recent years, powered by the learned discriminative representation via graph neural network (GNN) models, deep graph matching methods have made great progresses in the task of matching semantic features. However, these methods usually…

Computer Vision and Pattern Recognition · Computer Science 2021-11-18 He Liu , Tao Wang , Yidong Li , Congyan Lang , Yi Jin , Haibin Ling

As a new approach to train generative models, \emph{generative adversarial networks} (GANs) have achieved considerable success in image generation. This framework has also recently been applied to data with graph structures. We propose…

Machine Learning · Computer Science 2021-02-26 Shuangfei Fan , Bert Huang

Graph neural networks (GNNs) demonstrate great performance in compound property and activity prediction due to their capability to efficiently learn complex molecular graph structures. However, two main limitations persist including…

Biomolecules · Quantitative Biology 2023-10-10 Apakorn Kengkanna , Masahito Ohue

A large number of real-world graphs or networks are inherently heterogeneous, involving a diversity of node types and relation types. Heterogeneous graph embedding is to embed rich structural and semantic information of a heterogeneous…

Social and Information Networks · Computer Science 2020-04-01 Xinyu Fu , Jiani Zhang , Ziqiao Meng , Irwin King

Graph Neural Networks (GNNs) have become essential tools for graph representation learning in various domains, such as social media and healthcare. However, they often suffer from fairness issues due to inherent biases in node attributes…

Machine Learning · Computer Science 2025-01-08 Yeon-Chang Lee , Hojung Shin , Sang-Wook Kim

Interpretability has emerged as a crucial aspect of building trust in machine learning systems, aimed at providing insights into the working of complex neural networks that are otherwise opaque to a user. There are a plethora of existing…

Machine Learning · Statistics 2021-01-19 Rushil Anirudh , Jayaraman J. Thiagarajan , Rahul Sridhar , Peer-Timo Bremer

Graph sparsification aims to reduce the number of edges of a network while maintaining its accuracy for given tasks. In this study, we propose a novel method called GSGAN, which is able to sparsify networks for community detection tasks.…

Social and Information Networks · Computer Science 2020-09-25 Hang-Yang Wu , Yi-Ling Chen

Message-passing neural networks (MPNNs) are the leading architecture for deep learning on graph-structured data, in large part due to their simplicity and scalability. Unfortunately, it was shown that these architectures are limited in…

Humans excel at solving novel reasoning problems from minimal exposure, guided by inductive biases, assumptions about which entities and relationships matter. Yet the computational form of these biases and their neural implementation remain…

Neurons and Cognition · Quantitative Biology 2025-12-22 Quan Do , Caroline Ahn , Leah Bakst , Michael Pascale , Joseph T. McGuire , Chantal E. Stern , Michael E. Hasselmo

Graph Neural Networks (GNNs) have received much attention in the graph deep learning domain. However, recent research empirically and theoretically shows that deep GNNs suffer from over-fitting and over-smoothing problems. The usual…

Machine Learning · Computer Science 2022-09-05 Chuxiong Sun , Jie Hu , Hongming Gu , Jinpeng Chen , Mingchuan Yang

Graph-based Neural Networks (GNNs) are recent models created for learning representations of nodes (and graphs), which have achieved promising results when detecting patterns that occur in large-scale data relating different entities. Among…

Machine Learning · Computer Science 2021-08-20 Ronald D. R. Pereira , Fabrício Murai