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Graph Neural Networks (GNNs) have been widely applied to various fields due to their powerful representations of graph-structured data. Despite the success of GNNs, most existing GNNs are designed to learn node representations on the fixed…

Machine Learning · Computer Science 2021-06-14 Seongjun Yun , Minbyul Jeong , Sungdong Yoo , Seunghun Lee , Sean S. Yi , Raehyun Kim , Jaewoo Kang , Hyunwoo J. Kim

Most compilers for machine learning (ML) frameworks need to solve many correlated optimization problems to generate efficient machine code. Current ML compilers rely on heuristics based algorithms to solve these optimization problems one at…

Graph transformation that predicts graph transition from one mode to another is an important and common problem. Despite much progress in developing advanced graph transformation techniques in recent years, the fundamental assumption…

Machine Learning · Computer Science 2023-05-25 Shiyu Wang , Guangji Bai , Qingyang Zhu , Zhaohui Qin , Liang Zhao

Node tokenized graph Transformers (GTs) have shown promising performance in node classification. The generation of token sequences is the key module in existing tokenized GTs which transforms the input graph into token sequences,…

Machine Learning · Computer Science 2025-02-13 Jinsong Chen , Chenyang Li , GaiChao Li , John E. Hopcroft , Kun He

Graph Transformers (GTs) have emerged as a promising graph learning tool, leveraging their all-pair connected property to effectively capture global information. To address the over-smoothing problem in deep GNNs, global attention was…

Machine Learning · Computer Science 2025-12-17 Chaohao Yuan , Zhenjie Song , Ercan Engin Kuruoglu , Kangfei Zhao , Yang Liu , Deli Zhao , Hong Cheng , Yu Rong

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

Recently, Transformer model, which has achieved great success in many artificial intelligence fields, has demonstrated its great potential in modeling graph-structured data. Till now, a great variety of Transformers has been proposed to…

Machine Learning · Computer Science 2022-02-18 Erxue Min , Runfa Chen , Yatao Bian , Tingyang Xu , Kangfei Zhao , Wenbing Huang , Peilin Zhao , Junzhou Huang , Sophia Ananiadou , Yu Rong

Graph transformers have gained popularity in various graph-based tasks by addressing challenges faced by traditional Graph Neural Networks. However, the quadratic complexity of self-attention operations and the extensive layering in graph…

Machine Learning · Computer Science 2023-09-20 Reza Shirkavand , Heng Huang

Hypergraphs as an expressive and general structure have attracted considerable attention from various research domains. Most existing hypergraph node representation learning techniques are based on graph neural networks, and thus adopt the…

Machine Learning · Computer Science 2023-12-04 Shilin Qu , Weiqing Wang , Yuan-Fang Li , Xin Zhou , Fajie Yuan

Temporal Graph Neural Networks have garnered substantial attention for their capacity to model evolving structural and temporal patterns while exhibiting impressive performance. However, it is known that these architectures are encumbered…

Machine Learning · Computer Science 2024-02-12 Mahdi Biparva , Raika Karimi , Faezeh Faez , Yingxue Zhang

Graphs are the natural data structure to represent relational and structural information in many domains. To cover the broad range of graph-data applications including graph classification as well as graph generation, it is desirable to…

Machine Learning · Computer Science 2020-06-11 Sanghyun Yoo , Young-Seok Kim , Kang Hyun Lee , Kuhwan Jeong , Junhwi Choi , Hoshik Lee , Young Sang Choi

The transformer-based semantic segmentation approaches, which divide the image into different regions by sliding windows and model the relation inside each window, have achieved outstanding success. However, since the relation modeling…

Computer Vision and Pattern Recognition · Computer Science 2023-08-17 Zizhang Wu , Yuanzhu Gan , Tianhao Xu , Fan Wang

We introduce Attention Graphs, a new tool for mechanistic interpretability of Graph Neural Networks (GNNs) and Graph Transformers based on the mathematical equivalence between message passing in GNNs and the self-attention mechanism in…

Machine Learning · Computer Science 2025-02-26 Batu El , Deepro Choudhury , Pietro Liò , Chaitanya K. Joshi

Graph foundation models represent a transformative paradigm for learning transferable representations across diverse graph domains. Recent methods leverage large language models to unify graph and text modalities into a shared…

Machine Learning · Computer Science 2025-12-23 Heng Zhang , Tianyi Zhang , Yuling Shi , Xiaodong Gu , Yaomin Shen , Haochen You , Zijian Zhang , Yilei Yuan , Jin Huang

The success of a specific neural network architecture is closely tied to the dataset and task it tackles; there is no one-size-fits-all solution. Thus, considerable efforts have been made to quickly and accurately estimate the performances…

Machine Learning · Computer Science 2024-03-22 Dongyeong Hwang , Hyunju Kim , Sunwoo Kim , Kijung Shin

Recent works on machine learning for combinatorial optimization have shown that learning based approaches can outperform heuristic methods in terms of speed and performance. In this paper, we consider the problem of finding an optimal…

Distribution shifts on graphs -- the discrepancies in data distribution between training and employing a graph machine learning model -- are ubiquitous and often unavoidable in real-world scenarios. These shifts may severely deteriorate…

Machine Learning · Computer Science 2025-03-31 Kexin Zhang , Shuhan Liu , Song Wang , Weili Shi , Chen Chen , Pan Li , Sheng Li , Jundong Li , Kaize Ding

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

While Transformers have revolutionized machine learning on various data, existing Transformers for temporal graphs face limitations in (1) restricted receptive fields, (2) overhead of subgraph extraction, and (3) suboptimal generalization…

Machine Learning · Computer Science 2024-12-03 Kay Liu , Jiahao Ding , MohamadAli Torkamani , Philip S. Yu

Graph Neural Networks are notorious for its memory consumption. A recent Transformer-based GNN called Graph Transformer is shown to obtain superior performances when long range dependencies exist. However, combining graph data and…

Machine Learning · Computer Science 2024-03-25 Eugene Ku