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Transformer-based models have improved predictive modeling on longitudinal electronic health records through large-scale self-supervised pretraining. However, most EHR transformer architectures treat each clinical encounter as an unordered…

Machine Learning · Computer Science 2026-03-17 Krish Tadigotla

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

Graph Transformer (GT) has recently emerged as a promising neural network architecture for learning graph-structured data. However, its global attention mechanism with quadratic complexity concerning the graph scale prevents wider…

Machine Learning · Computer Science 2024-12-09 Ningyi Liao , Zihao Yu , Siqiang Luo

In heterogeneous graphs, we can observe complex structures such as tree-like or hierarchical structures. Recently, the hyperbolic space has been widely adopted in many studies to effectively learn these complex structures. Although these…

Machine Learning · Computer Science 2026-01-14 Jongmin Park , Seunghoon Han , Hyewon Lee , Won-Yong Shin , Sungsu Lim

Foundation Models (FMs) serve as a general class for the development of artificial intelligence systems, offering broad potential for generalization across a spectrum of downstream tasks. Despite extensive research into self-supervised…

Machine Learning · Computer Science 2024-06-17 Yuhao Xu , Xinqi Liu , Keyu Duan , Yi Fang , Yu-Neng Chuang , Daochen Zha , Qiaoyu Tan

Graph transformers are the state-of-the-art for learning from graph-structured data and are empirically known to avoid several pitfalls of message-passing architectures. However, there is limited theoretical analysis on why these models…

Machine Learning · Statistics 2026-03-19 Nil Ayday , Lingchu Yang , Debarghya Ghoshdastidar

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 Transformers (GTs) show considerable potential in graph representation learning. The architecture of GTs typically integrates Graph Neural Networks (GNNs) with global attention mechanisms either in parallel or as a precursor to…

Machine Learning · Computer Science 2026-02-04 Gang Wu , Zhengwei Wang

In the last few years, graph neural networks (GNNs) have become the standard toolkit for analyzing and learning from data on graphs. This emerging field has witnessed an extensive growth of promising techniques that have been applied with…

Machine Learning · Computer Science 2022-12-29 Vijay Prakash Dwivedi , Chaitanya K. Joshi , Anh Tuan Luu , Thomas Laurent , Yoshua Bengio , Xavier Bresson

Positional Encodings (PEs) are essential for injecting structural information into Graph Neural Networks (GNNs), particularly Graph Transformers, yet their empirical impact remains insufficiently understood. We introduce a unified…

Machine Learning · Computer Science 2026-01-15 Florian Grötschla , Jiaqing Xie , Roger Wattenhofer

Mechanics-related problems often present unique challenges in achieving accurate geometric and physical representations, particularly for non-uniform structures. Graph neural networks (GNNs) have emerged as a promising tool to tackle these…

Machine Learning · Computer Science 2024-07-17 Yingxue Zhao , Haoran Li , Haosu Zhou , Hamid Reza Attar , Tobias Pfaff , Nan Li

Collaborative recommendation fundamentally involves learning high-quality user and item representations from interaction data. Recently, graph convolution networks (GCNs) have advanced the field by utilizing high-order connectivity patterns…

Information Retrieval · Computer Science 2024-12-30 Jiajia Chen , Jiancan Wu , Jiawei Chen , Chongming Gao , Yong Li , Xiang Wang

Graph Transformer (GT) recently has emerged as a new paradigm of graph learning algorithms, outperforming the previously popular Message Passing Neural Network (MPNN) on multiple benchmarks. Previous work (Kim et al., 2022) shows that with…

Machine Learning · Computer Science 2023-06-22 Chen Cai , Truong Son Hy , Rose Yu , Yusu Wang

Learning representations on large-sized graphs is a long-standing challenge due to the inter-dependence nature involved in massive data points. Transformers, as an emerging class of foundation encoders for graph-structured data, have shown…

Machine Learning · Computer Science 2024-08-19 Qitian Wu , Wentao Zhao , Chenxiao Yang , Hengrui Zhang , Fan Nie , Haitian Jiang , Yatao Bian , Junchi Yan

Graph Neural Networks (GNNs) have evolved to understand graph structures through recursive exchanges and aggregations among nodes. To enhance robustness, self-supervised learning (SSL) has become a vital tool for data augmentation.…

Computation and Language · Computer Science 2024-05-08 Jiabin Tang , Yuhao Yang , Wei Wei , Lei Shi , Lixin Su , Suqi Cheng , Dawei Yin , Chao Huang

Graphs have become a central representation in machine learning for capturing relational and structured data across various domains. Traditional graph neural networks often struggle to capture long-range dependencies between nodes due to…

Machine Learning · Computer Science 2025-08-26 Leon Dimitrov

We show that viewing graphs as sets of node features and incorporating structural and positional information into a transformer architecture is able to outperform representations learned with classical graph neural networks (GNNs). Our…

Machine Learning · Computer Science 2021-06-11 Grégoire Mialon , Dexiong Chen , Margot Selosse , Julien Mairal

Despite advances in the field of Graph Neural Networks (GNNs), only a small number (~5) of datasets are currently used to evaluate new models. This continued reliance on a handful of datasets provides minimal insight into the performance…

Machine Learning · Computer Science 2022-07-11 John Palowitch , Anton Tsitsulin , Brandon Mayer , Bryan Perozzi

The Transformer architecture has become a dominant choice in many domains, such as natural language processing and computer vision. Yet, it has not achieved competitive performance on popular leaderboards of graph-level prediction compared…

Machine Learning · Computer Science 2021-11-25 Chengxuan Ying , Tianle Cai , Shengjie Luo , Shuxin Zheng , Guolin Ke , Di He , Yanming Shen , Tie-Yan Liu

Graph neural networks (GNNs) aim to learn well-trained representations in a lower-dimension space for downstream tasks while preserving the topological structures. In recent years, attention mechanism, which is brilliant in the fields of…

Social and Information Networks · Computer Science 2026-05-12 Chengcheng Sun , Chenhao Li , Xiang Lin , Tianji Zheng , Fanrong Meng , Xiaobin Rui , Zhixiao Wang