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Graph Transformers have emerged as a powerful alternative to Message-Passing Graph Neural Networks (MP-GNNs) to address limitations such as over-squashing of information exchange. However, incorporating graph inductive bias into transformer…

机器学习 · 计算机科学 2024-04-09 Zihan Pengmei , Zimu Li

Textual graphs are ubiquitous in real-world applications, featuring rich text information with complex relationships, which enables advanced research across various fields. Textual graph representation learning aims to generate…

机器学习 · 计算机科学 2024-08-22 Wenbin Hu , Huihao Jing , Qi Hu , Haoran Li , Yangqiu Song

In the realm of Graph Neural Networks (GNNs), two exciting research directions have recently emerged: Subgraph GNNs and Graph Transformers. In this paper, we propose an architecture that integrates both approaches, dubbed Subgraphormer,…

机器学习 · 计算机科学 2024-05-29 Guy Bar-Shalom , Beatrice Bevilacqua , Haggai Maron

Graph Neural Networks (GNNs) have demonstrated remarkable results in various real-world applications, including drug discovery, object detection, social media analysis, recommender systems, and text classification. In contrast to their vast…

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

The paradigm of Transformers using the self-attention mechanism has manifested its advantage in learning graph-structured data. Yet, Graph Transformers are capable of modeling full range dependencies but are often deficient in extracting…

机器学习 · 计算机科学 2024-09-11 Minhong Zhu , Zhenhao Zhao , Weiran Cai

Graph Transformers (GTs) have demonstrated their advantages across a wide range of tasks. However, the self-attention mechanism in GTs overlooks the graph's inductive biases, particularly biases related to structure, which are crucial for…

机器学习 · 计算机科学 2024-04-25 Chuang Liu , Zelin Yao , Yibing Zhan , Xueqi Ma , Shirui Pan , Wenbin Hu

Graph transformers are a recent advancement in machine learning, offering a new class of neural network models for graph-structured data. The synergy between transformers and graph learning demonstrates strong performance and versatility…

机器学习 · 计算机科学 2025-12-23 Ahsan Shehzad , Feng Xia , Shagufta Abid , Ciyuan Peng , Shuo Yu , Dongyu Zhang , Karin Verspoor

Graph learning methods have been extensively applied in diverse application areas. However, what kind of inherent graph properties e.g. graph proximity, graph structural information has been encoded into graph representation learning for…

机器学习 · 计算机科学 2024-08-08 Mingyu Zhao , Xingyu Huang , Ziyu Lyu , Yanlin Wang , Lixin Cui , Lu Bai

Graph convolutional networks (GCNs) are powerful deep neural networks for graph-structured data. However, GCN computes the representation of a node recursively from its neighbors, making the receptive field size grow exponentially with the…

机器学习 · 统计学 2018-03-02 Jianfei Chen , Jun Zhu , Le Song

Transductive tasks on graphs differ fundamentally from typical supervised machine learning tasks, as the independent and identically distributed (i.i.d.) assumption does not hold among samples. Instead, all train/test/validation samples are…

机器学习 · 计算机科学 2024-11-21 Hamed Shirzad , Honghao Lin , Ameya Velingker , Balaji Venkatachalam , David Woodruff , Danica Sutherland

Real-world graphs grow rapidly with edge and vertex insertions over time, motivating the problem of efficiently maintaining robust node representation over evolving graphs. Recent efficient GNNs are designed to decouple recursive message…

机器学习 · 计算机科学 2024-11-12 Xingzhi Guo , Silong Wang , Baojian Zhou , Yanghua Xiao , Steven Skiena

Graph Neural Networks (GNNs) offer a compact and computationally efficient way to learn embeddings and classifications on graph data. GNN models are frequently large, making distributed minibatch training necessary. The primary contribution…

机器学习 · 计算机科学 2024-04-22 Alok Tripathy , Katherine Yelick , Aydin Buluc

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…

机器学习 · 计算机科学 2021-06-11 Grégoire Mialon , Dexiong Chen , Margot Selosse , Julien Mairal

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…

机器学习 · 计算机科学 2026-03-16 Tianyin Liao , Ziwei Zhang , Yufei Sun , Chunyu Hu , Jianxin Li

Molecular representation learning methods typically tokenize molecules as individual atoms or use rigid, rule-based fragment decompositions, limiting their ability to capture meaningful chemical substructure context. We introduce…

机器学习 · 计算机科学 2026-05-26 Ankur Samanta , Rohan Gupta , Aditi Misra , Christian McIntosh Clarke , Jayakumar Rajadas

Graph Convolutional Networks (GCNs), particularly for large-scale graphs, are crucial across numerous domains. However, training distributed full-batch GCNs on large-scale graphs suffers from inefficient memory access patterns and high…

分布式、并行与集群计算 · 计算机科学 2025-05-27 Chen Zhuang , Lingqi Zhang , Du Wu , Peng Chen , Jiajun Huang , Xin Liu , Rio Yokota , Nikoli Dryden , Toshio Endo , Satoshi Matsuoka , Mohamed Wahib

A foundation model like GPT elicits many emergent abilities, owing to the pre-training with broad inclusion of data and the use of the powerful Transformer architecture. While foundation models in natural languages are prevalent, can we…

机器学习 · 计算机科学 2025-06-18 Ziyuan Tang , Jie Chen

Graphs are a commonly used construct for representing relationships between elements in complex high dimensional datasets. Many real-world phenomenon are dynamic in nature, meaning that any graph used to represent them is inherently…

社会与信息网络 · 计算机科学 2018-11-21 Stephen Bonner , John Brennan , Ibad Kureshi , Georgios Theodoropoulos , Andrew Stephen McGough , Boguslaw Obara

Graph-structured scene descriptions can be efficiently used in generative models to control the composition of the generated image. Previous approaches are based on the combination of graph convolutional networks and adversarial methods for…

计算机视觉与模式识别 · 计算机科学 2023-03-09 Renato Sortino , Simone Palazzo , Concetto Spampinato