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Graph Transformers (GTs) have demonstrated great effectiveness across various graph analytical tasks. However, the existing GTs focus on training and testing graph data originated from the same distribution, but fail to generalize under…

Machine Learning · Computer Science 2026-03-16 Tianyin Liao , Ziwei Zhang , Yufei Sun , Chunyu Hu , Jianxin Li

In this work we propose Pathfinder Discovery Networks (PDNs), a method for jointly learning a message passing graph over a multiplex network with a downstream semi-supervised model. PDNs inductively learn an aggregated weight for each edge,…

Machine Learning · Computer Science 2021-02-18 Benedek Rozemberczki , Peter Englert , Amol Kapoor , Martin Blais , Bryan Perozzi

Graph neural networks (GNNs) have been widely used to learn vector representation of graph-structured data and achieved better task performance than conventional methods. The foundation of GNNs is the message passing procedure, which…

Machine Learning · Computer Science 2022-01-31 Takeshi D. Itoh , Takatomi Kubo , Kazushi Ikeda

Most graph neural network models rely on a particular message passing paradigm, where the idea is to iteratively propagate node representations of a graph to each node in the direct neighborhood. While very prominent, this paradigm leads to…

Machine Learning · Computer Science 2023-01-24 Ralph Abboud , Radoslav Dimitrov , İsmail İlkan Ceylan

Hypergraphs, with their capacity to depict high-order relationships, have emerged as a significant extension of traditional graphs. Although Graph Neural Networks (GNNs) have remarkable performance in graph representation learning, their…

Machine Learning · Computer Science 2024-11-07 Khaled Mohammed Saifuddin , Mehmet Emin Aktas , Esra Akbas

Graph transformers need strong inductive biases to derive meaningful attention scores. Yet, current methods often fall short in capturing longer ranges, hierarchical structures, or community structures, which are common in various graphs…

Machine Learning · Computer Science 2024-05-28 Yuankai Luo , Hongkang Li , Lei Shi , Xiao-Ming Wu

Graph neural network (GNN) is effective to model graphs for distributed representations of nodes and an entire graph. Recently, research on the expressive power of GNN attracted growing attention. A highly-expressive GNN has the ability to…

Machine Learning · Computer Science 2022-03-01 Chengsheng Mao , Yuan Luo

Heterogeneous information network (HIN) embedding, aiming to map the structure and semantic information in a HIN to distributed representations, has drawn considerable research attention. Graph neural networks for HIN embeddings typically…

Social and Information Networks · Computer Science 2020-07-07 Di Jin , Zhizhi Yu , Dongxiao He , Carl Yang , Philip S. Yu , Jiawei Han

We present the Topology Transformation Equivariant Representation learning, a general paradigm of self-supervised learning for node representations of graph data to enable the wide applicability of Graph Convolutional Neural Networks…

Machine Learning · Computer Science 2021-12-03 Xiang Gao , Wei Hu , Guo-Jun Qi

Graph Neural Networks (GNNs) have achieved great success among various domains. Nevertheless, most GNN methods are sensitive to the quality of graph structures. To tackle this problem, some studies exploit different graph structure learning…

Machine Learning · Computer Science 2021-08-11 Liping Wang , Fenyu Hu , Shu Wu , Liang Wang

Graph Attention Networks (GATs) have emerged as powerful models for learning expressive representations from such data by adaptively weighting neighboring nodes through attention mechanisms. However, most existing approaches primarily rely…

Machine Learning · Computer Science 2026-02-05 Farshad Noravesh , Reza Haffari , Layki Soon , Arghya Pal

Self-attention mechanism in graph neural networks (GNNs) led to state-of-the-art performance on many graph representation learning tasks. Currently, at every layer, attention is computed between connected pairs of nodes and depends solely…

Machine Learning · Computer Science 2021-08-27 Guangtao Wang , Rex Ying , Jing Huang , Jure Leskovec

Real-world graphs grow rapidly with edge and vertex insertions over time, motivating the problem of efficiently maintaining robust node representation over evolving graphs. Recent efficient GNNs are designed to decouple recursive message…

Machine Learning · Computer Science 2024-11-12 Xingzhi Guo , Silong Wang , Baojian Zhou , Yanghua Xiao , Steven Skiena

The growing use of deep learning necessitates efficient network design and deployment, making neural predictors vital for estimating attributes such as accuracy and latency. Recently, Graph Neural Networks (GNNs) and transformers have shown…

Machine Learning · Computer Science 2025-07-02 Ruihan Xu , Haokui Zhang , Yaowei Wang , Wei Zeng , Shiliang Zhang

Graph transformer networks (GTN) are a variant of graph convolutional networks (GCN) that are targeted to heterogeneous graphs in which nodes and edges have associated type information that can be exploited to improve inference accuracy.…

Artificial Intelligence · Computer Science 2021-06-17 Loc Hoang , Udit Agarwal , Gurbinder Gill , Roshan Dathathri , Abhik Seal , Brian Martin , Keshav Pingali

Graph convolution is the core of most Graph Neural Networks (GNNs) and usually approximated by message passing between direct (one-hop) neighbors. In this work, we remove the restriction of using only the direct neighbors by introducing a…

Social and Information Networks · Computer Science 2022-04-06 Johannes Gasteiger , Stefan Weißenberger , Stephan Günnemann

Graph foundation models have demonstrated remarkable adaptability across diverse downstream tasks through large-scale pretraining on graphs. However, existing implementations of the backbone model, graph transformers, are typically limited…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-04-21 Jun-Liang Lin , Kamesh Madduri , Mahmut Taylan Kandemir

Variants of Graph Neural Networks (GNNs) for representation learning have been proposed recently and achieved fruitful results in various fields. Among them, Graph Attention Network (GAT) first employs a self-attention strategy to learn…

Machine Learning · Computer Science 2021-07-28 Heng Chang , Yu Rong , Tingyang Xu , Wenbing Huang , Somayeh Sojoudi , Junzhou Huang , Wenwu Zhu

Social media platforms generate vast, complex graph-structured data, facilitating diverse tasks such as rumor detection, bot identification, and influence modeling. Real-world applications like public opinion monitoring and stock trading --…

Social and Information Networks · Computer Science 2025-09-03 Wei Jiang , Tong Chen , Wei Yuan , Xiangyu Zhao , Quoc Viet Hung Nguyen , Hongzhi Yin

Despite their widespread success in various domains, Transformer networks have yet to perform well across datasets in the domain of 3D atomistic graphs such as molecules even when 3D-related inductive biases like translational invariance…

Machine Learning · Computer Science 2023-03-01 Yi-Lun Liao , Tess Smidt