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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…

机器学习 · 计算机科学 2021-11-25 Chengxuan Ying , Tianle Cai , Shengjie Luo , Shuxin Zheng , Guolin Ke , Di He , Yanming Shen , Tie-Yan Liu

Recent development of deep neural networks (DNNs) for tabular learning has largely benefited from the capability of DNNs for automatic feature interaction. However, the heterogeneity nature of tabular features makes such features relatively…

机器学习 · 计算机科学 2023-03-07 Jiahuan Yan , Jintai Chen , Yixuan Wu , Danny Z. Chen , Jian Wu

Transformers have become widely used in various tasks, such as natural language processing and machine vision. This paper proposes Gransformer, an algorithm based on Transformer for generating graphs. We modify the Transformer encoder to…

机器学习 · 计算机科学 2024-06-03 Ahmad Khajenezhad , Seyed Ali Osia , Mahmood Karimian , Hamid Beigy

Hypergraphs play a pivotal role in the modelling of data featuring higher-order relations involving more than two entities. Hypergraph neural networks emerge as a powerful tool for processing hypergraph-structured data, delivering…

机器学习 · 计算机科学 2024-06-04 Zexi Liu , Bohan Tang , Ziyuan Ye , Xiaowen Dong , Siheng Chen , Yanfeng Wang

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…

机器学习 · 计算机科学 2024-01-30 Zaixi Zhang , Qingyong Hu , Yang Yu , Weibo Gao , Qi Liu

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,…

神经与进化计算 · 计算机科学 2025-04-03 Limei Wang , Kaveh Hassani , Si Zhang , Dongqi Fu , Baichuan Yuan , Weilin Cong , Zhigang Hua , Hao Wu , Ning Yao , Bo Long

We introduce a transformer-based GNN model, named UGformer, to learn graph representations. In particular, we present two UGformer variants, wherein the first variant (publicized in September 2019) is to leverage the transformer on a set of…

机器学习 · 计算机科学 2022-03-09 Dai Quoc Nguyen , Tu Dinh Nguyen , Dinh Phung

Graph Neural Networks have become one of the indispensable tools to learn from graph-structured data, and their usefulness has been shown in wide variety of tasks. In recent years, there have been tremendous improvements in architecture…

机器学习 · 统计学 2021-11-15 Sunil Kumar Maurya , Xin Liu , Tsuyoshi Murata

How to obtain informative representations of molecules is a crucial prerequisite in AI-driven drug design and discovery. Recent researches abstract molecules as graphs and employ Graph Neural Networks (GNNs) for molecular representation…

生物大分子 · 定量生物学 2020-10-30 Yu Rong , Yatao Bian , Tingyang Xu , Weiyang Xie , Ying Wei , Wenbing Huang , Junzhou Huang

In recent years, graph neural networks (GNNs) have emerged as a potent tool for learning on graph-structured data and won fruitful successes in varied fields. The majority of GNNs follow the message-passing paradigm, where representations…

机器学习 · 计算机科学 2024-08-30 Yurui Lai , Xiaoyang Lin , Renchi Yang , Hongtao Wang

Graph attention has demonstrated superior performance in graph learning tasks. However, learning from global interactions can be challenging due to the large number of nodes. In this paper, we discover a new phenomenon termed…

机器学习 · 计算机科学 2025-10-27 Junshu Sun , Wanxing Chang , Chenxue Yang , Qingming Huang , Shuhui Wang

Textual Attribute Graphs (TAGs) are critical for modeling complex networks like citation networks, but effective node classification remains challenging due to difficulties in integrating rich semantics from text with structural graph…

机器学习 · 计算机科学 2025-08-11 Rituparna Datta , Nibir Chandra Mandal

Graph Neural Networks (GNNs) have achieved significant success in learning better representations by performing feature propagation and transformation iteratively to leverage neighborhood information. Nevertheless, iterative propagation…

机器学习 · 计算机科学 2021-08-26 Yu Wang , Tyler Derr

Graph neural networks (GNNs) have significantly improved the representation power for graph-structured data. Despite of the recent success of GNNs, the graph convolution in most GNNs have two limitations. Since the graph convolution is…

机器学习 · 计算机科学 2021-12-30 Jinyoung Park , Sungdong Yoo , Jihwan Park , Hyunwoo J. Kim

Mini-batch Graph Transformer (MGT), as an emerging graph learning model, has demonstrated significant advantages in semi-supervised node prediction tasks with improved computational efficiency and enhanced model robustness. However,…

机器学习 · 计算机科学 2024-07-16 Wenda Li , Kaixuan Chen , Shunyu Liu , Tongya Zheng , Wenjie Huang , Mingli Song

Graph Neural Networks (GNNs) have shown advantages in various graph-based applications. Most existing GNNs assume strong homophily of graph structure and apply permutation-invariant local aggregation of neighbors to learn a representation…

机器学习 · 计算机科学 2022-01-04 Tianmeng Yang , Yujing Wang , Zhihan Yue , Yaming Yang , Yunhai Tong , Jing Bai

Graph Neural Networks (GNNs) have shown impressive performance in graph representation learning, but they face challenges in capturing long-range dependencies due to their limited expressive power. To address this, Graph Transformers (GTs)…

Graph diffusion models have recently been proposed to synthesize entire graphs, such as molecule graphs. Although existing methods have shown great performance in generating entire graphs for graph-level learning tasks, no graph diffusion…

机器学习 · 计算机科学 2025-03-18 Yancheng Wang , Changyu Liu , Yingzhen Yang

Graph neural networks (GNNs) learn to represent nodes by aggregating information from their neighbors. As GNNs increase in depth, their receptive field grows exponentially, leading to high memory costs. Several existing methods address this…

机器学习 · 计算机科学 2025-07-16 Taraneh Younesian , Daniel Daza , Emile van Krieken , Thiviyan Thanapalasingam , Peter Bloem

Graph neural networks (GNNs) have been widely adopted in engineering applications such as social network analysis, chemical research and computer vision. However, their efficacy is severely compromised by the inherent homophily assumption,…

机器学习 · 计算机科学 2026-04-13 Yi Luo , Xu Sun , Guangchun Luo , Aiguo Chen