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Graph Transformer (GT), as a special type of Graph Neural Networks (GNNs), utilizes multi-head attention to facilitate high-order message passing. However, this also imposes several limitations in node classification applications: 1) nodes…

Machine Learning · Computer Science 2024-10-16 Jiajun Zhou , Xuanze Chen , Chenxuan Xie , Yu Shanqing , Qi Xuan , Xiaoniu Yang

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

Recent advancements in large-scale pre-training have shown the potential to learn generalizable representations for downstream tasks. In the graph domain, however, capturing and transferring structural information across different graph…

Machine Learning · Computer Science 2026-02-24 Jialin Chen , Haolan Zuo , Haoyu Peter Wang , Siqi Miao , Pan Li , Rex Ying

Graph Neural Networks (GNNs) are a new and increasingly popular family of deep neural network architectures to perform learning on graphs. Training them efficiently is challenging due to the irregular nature of graph data. The problem…

Machine Learning · Computer Science 2021-06-15 Marco Serafini , Hui Guan

Graph-structured data is ubiquitous in the world which models complex relationships between objects, enabling various Web applications. Daily influxes of unlabeled graph data on the Web offer immense potential for these applications. Graph…

Machine Learning · Computer Science 2024-03-12 Yun Zhu , Yaoke Wang , Haizhou Shi , Zhenshuo Zhang , Dian Jiao , Siliang Tang

The pretrain-transfer paradigm, which underpins the success of large language models (LLMs), has demonstrated the immense power of creating foundation models that learn generalizable representations from vast datasets. However, extending…

Machine Learning · Computer Science 2025-09-30 Yunhao Liang , Pujun Zhang , Yuan Qu , Shaochong Lin , Zuo-jun Max Shen

Graph neural networks (GNNs) use graph convolutions to exploit network invariances and learn meaningful feature representations from network data. However, on large-scale graphs convolutions incur in high computational cost, leading to…

Machine Learning · Computer Science 2022-06-29 Juan Cervino , Luana Ruiz , Alejandro Ribeiro

In recent years, Graph Neural Network (GNN) based models have shown promising results in simulating physics of complex systems. However, training dedicated graph network based physics simulators can be costly, as most models are confined to…

Machine Learning · Computer Science 2025-02-12 Siqi Shen , Yu Liu , Daniel Biggs , Omar Hafez , Jiandong Yu , Wentao Zhang , Bin Cui , Jiulong Shan

Transformers serve as the backbone architectures of Foundational Models, where domain-specific tokenizers allow them to adapt to various domains. Graph Transformers (GTs) have recently emerged as leading models in geometric deep learning,…

Neural and Evolutionary Computing · Computer Science 2025-04-03 Limei Wang , Kaveh Hassani , Si Zhang , Dongqi Fu , Baichuan Yuan , Weilin Cong , Zhigang Hua , Hao Wu , Ning Yao , Bo Long

We propose a framework that automatically transforms non-scalable GNNs into precomputation-based GNNs which are efficient and scalable for large-scale graphs. The advantages of our framework are two-fold; 1) it transforms various…

Machine Learning · Computer Science 2022-07-26 Seiji Maekawa , Yuya Sasaki , George Fletcher , Makoto Onizuka

Graph neural networks (GNNs) have been demonstrated to be a powerful algorithmic model in broad application fields for their effectiveness in learning over graphs. To scale GNN training up for large-scale and ever-growing graphs, the most…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-11-30 Haiyang Lin , Mingyu Yan , Xiaochun Ye , Dongrui Fan , Shirui Pan , Wenguang Chen , Yuan Xie

Graph structure learning is a well-established problem that aims at optimizing graph structures adaptive to specific graph datasets to help message passing neural networks (i.e., GNNs) to yield effective and robust node embeddings. However,…

Machine Learning · Computer Science 2023-06-21 Wentao Zhao , Qitian Wu , Chenxiao Yang , Junchi Yan

Many applications of machine learning require a model to make accurate pre-dictions on test examples that are distributionally different from training ones, while task-specific labels are scarce during training. An effective approach to…

Machine Learning · Computer Science 2020-02-20 Weihua Hu , Bowen Liu , Joseph Gomes , Marinka Zitnik , Percy Liang , Vijay Pande , Jure Leskovec

We present our work on developing and training scalable, trustworthy, and energy-efficient predictive graph foundation models (GFMs) using HydraGNN, a multi-headed graph convolutional neural network architecture. HydraGNN expands the…

The challenge of effectively learning inter-series correlations for multivariate time series forecasting remains a substantial and unresolved problem. Traditional deep learning models, which are largely dependent on the Transformer paradigm…

Machine Learning · Computer Science 2024-05-29 Wanlin Cai , Kun Wang , Hao Wu , Xiaoxu Chen , Yuankai Wu

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

Graph Transformer is a new architecture that surpasses GNNs in graph learning. While there emerge inspiring algorithm advancements, their practical adoption is still limited, particularly on real-world graphs involving up to millions of…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-07-22 Meng Zhang , Jie Sun , Qinghao Hu , Peng Sun , Zeke Wang , Yonggang Wen , Tianwei Zhang

Despite much research, Graph Neural Networks (GNNs) still do not display the favorable scaling properties of other deep neural networks such as Convolutional Neural Networks and Transformers. Previous work has identified issues such as…

Machine Learning · Computer Science 2023-12-19 Ameen Ali , Hakan Cevikalp , Lior Wolf

Spectral Graph Neural Networks have demonstrated superior performance in graph representation learning. However, many current methods focus on employing shared polynomial coefficients for all nodes, i.e., learning node-unified filters,…

Machine Learning · Computer Science 2024-07-22 Jiahong Ma , Mingguo He , Zhewei Wei

Pretraining plays a pivotal role in acquiring generalized knowledge from large-scale data, achieving remarkable successes as evidenced by large models in CV and NLP. However, progress in the graph domain remains limited due to fundamental…

Artificial Intelligence · Computer Science 2024-06-21 Yu Song , Haitao Mao , Jiachen Xiao , Jingzhe Liu , Zhikai Chen , Wei Jin , Carl Yang , Jiliang Tang , Hui Liu