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Existing studies have shown that Message-Passing Graph Neural Networks (MPNNs) are highly susceptible to adversarial attacks. In contrast, despite the increasing importance of Graph Transformers (GTs), their robustness properties are…

Machine Learning · Computer Science 2026-04-14 Philipp Foth , Lukas Gosch , Simon Geisler , Leo Schwinn , Stephan Günnemann

The Transformer architecture has achieved remarkable success in a number of domains including natural language processing and computer vision. However, when it comes to graph-structured data, transformers have not achieved competitive…

Machine Learning · Computer Science 2022-10-11 Zaixi Zhang , Qi Liu , Qingyong Hu , Chee-Kong Lee

Graph learning architectures based on the k-dimensional Weisfeiler-Leman (k-WL) hierarchy offer a theoretically well-understood expressive power. However, such architectures often fail to deliver solid predictive performance on real-world…

Machine Learning · Computer Science 2024-11-11 Luis Müller , Daniel Kusuma , Blai Bonet , Christopher Morris

The representation learning on textual graph is to generate low-dimensional embeddings for the nodes based on the individual textual features and the neighbourhood information. Recent breakthroughs on pretrained language models and graph…

Computation and Language · Computer Science 2023-10-10 Junhan Yang , Zheng Liu , Shitao Xiao , Chaozhuo Li , Defu Lian , Sanjay Agrawal , Amit Singh , Guangzhong Sun , Xing Xie

Graph neural networks (GNNs) largely rely on the message-passing paradigm, where nodes iteratively aggregate information from their neighbors. Yet, standard message passing neural networks (MPNNs) face well-documented theoretical and…

Machine Learning · Computer Science 2026-05-15 Juan Amboage , Ernst Röell , Patrick Schnider , Bastian Rieck

The dominant paradigm for machine learning on graphs uses Message Passing Graph Neural Networks (MP-GNNs), in which node representations are updated by aggregating information in their local neighborhood. Recently, there have been…

Machine Learning · Computer Science 2023-03-02 Daniel Glickman , Eran Yahav

Graph transformers (GTs) have emerged as a promising architecture that is theoretically more expressive than message-passing graph neural networks (GNNs). However, typical GT models have at least quadratic complexity and thus cannot scale…

Machine Learning · Computer Science 2024-04-09 Chenhui Deng , Zichao Yue , Zhiru Zhang

Graph embedding techniques have attracted growing interest since they convert the graph data into continuous and low-dimensional space. Effective graph analytic provides users a deeper understanding of what is behind the data and thus can…

Machine Learning · Computer Science 2022-01-21 Azita Nouri , Philip E. Davis , Pradeep Subedi , Manish Parashar

Graph neural networks (GNNs) have pushed the state-of-the-art (SOTA) for performance in learning and predicting on large-scale data present in social networks, biology, etc. Since integrated circuits (ICs) can naturally be represented as…

Machine Learning · Computer Science 2022-11-30 Lilas Alrahis , Johann Knechtel , Ozgur Sinanoglu

Graph transformers have emerged as a promising architecture for a variety of graph learning and representation tasks. Despite their successes, though, it remains challenging to scale graph transformers to large graphs while maintaining…

Machine Learning · Computer Science 2023-07-25 Hamed Shirzad , Ameya Velingker , Balaji Venkatachalam , Danica J. Sutherland , Ali Kemal Sinop

Graph link prediction has long been a central problem in graph representation learning in both network analysis and generative modeling. Recent progress in deep learning has introduced increasingly sophisticated architectures for capturing…

Machine Learning · Computer Science 2025-12-02 Siddhant Karki

Recent years have witnessed the emerging success of graph neural networks (GNNs) for modeling structured data. However, most GNNs are designed for homogeneous graphs, in which all nodes and edges belong to the same types, making them…

Machine Learning · Computer Science 2020-03-04 Ziniu Hu , Yuxiao Dong , Kuansan Wang , Yizhou Sun

Despite that going deep has proven successful in many neural architectures, the existing graph transformers are relatively shallow. In this work, we explore whether more layers are beneficial to graph transformers, and find that current…

Machine Learning · Computer Science 2023-03-02 Haiteng Zhao , Shuming Ma , Dongdong Zhang , Zhi-Hong Deng , Furu Wei

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

Graphs are widely used to model relational data. As graphs are getting larger and larger in real-world scenarios, there is a trend to store and compute subgraphs in multiple local systems. For example, recently proposed \emph{subgraph…

Machine Learning · Computer Science 2024-01-30 Zaixi Zhang , Qingyong Hu , Yang Yu , Weibo Gao , Qi Liu

Contemporary graph learning algorithms are not well-defined for large molecules since they do not consider the hierarchical interactions among the atoms, which are essential to determine the molecular properties of macromolecules. In this…

Machine Learning · Computer Science 2023-08-02 Nhat Khang Ngo , Truong Son Hy , Risi Kondor

Graph and hypergraph representation learning has attracted increasing attention from various research fields. Despite the decent performance and fruitful applications of Graph Neural Networks (GNNs), Hypergraph Neural Networks (HGNNs), and…

Machine Learning · Computer Science 2023-11-15 Minhao Zou , Zhongxue Gan , Yutong Wang , Junheng Zhang , Dongyan Sui , Chun Guan , Siyang Leng

We argue that Transformers are essentially graph-to-graph models, with sequences just being a special case. Attention weights are functionally equivalent to graph edges. Our Graph-to-Graph Transformer architecture makes this ability…

Computation and Language · Computer Science 2023-10-30 James Henderson , Alireza Mohammadshahi , Andrei C. Coman , Lesly Miculicich

To alleviate the local receptive issue of GCN, Transformers have been exploited to capture the long range dependences of nodes for graph data representation and learning. However, existing graph Transformers generally employ regular…

Machine Learning · Computer Science 2023-05-15 Bo Jiang , Fei Xu , Ziyan Zhang , Jin Tang , Feiping Nie

Recent studies have highlighted significant fairness issues in Graph Transformer (GT) models, particularly against subgroups defined by sensitive features. Additionally, GTs are computationally intensive and memory-demanding, limiting their…

Machine Learning · Computer Science 2025-01-03 Renqiang Luo , Huafei Huang , Ivan Lee , Chengpei Xu , Jianzhong Qi , Feng Xia
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