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Attention mechanisms have become a cornerstone in modern neural networks, driving breakthroughs across diverse domains. However, their application to graph structured data, where capturing topological connections is essential, remains…

机器学习 · 计算机科学 2025-09-19 Xuanting Xie , Bingheng Li , Erlin Pan , Rui Hou , Wenyu Chen , Zhao Kang

We investigate quantum circuits for graph representation learning, and propose equivariant quantum graph circuits (EQGCs), as a class of parameterized quantum circuits with strong relational inductive bias for learning over graph-structured…

机器学习 · 计算机科学 2022-06-15 Péter Mernyei , Konstantinos Meichanetzidis , İsmail İlkan Ceylan

Graph Transformer has demonstrated impressive capabilities in the field of graph representation learning. However, existing approaches face two critical challenges: (1) most models suffer from exponentially increasing computational…

Graph link prediction has long been a central problem in graph representation learning in both network analysis and generative modeling. Recent progress in deep learning has introduced increasingly sophisticated architectures for capturing…

机器学习 · 计算机科学 2025-12-02 Siddhant Karki

Vectorized quantum block encoding provides a way to embed classical data into Hilbert space, offering a pathway for quantum models, such as Quantum Transformers (QT), that replace classical self-attention with quantum circuit simulations to…

量子物理 · 物理学 2025-09-05 Ziqing Guo , Ziwen Pan , Alex Khan , Jan Balewski

Auto-encoders have emerged as a successful framework for unsupervised learning. However, conventional auto-encoders are incapable of utilizing explicit relations in structured data. To take advantage of relations in graph-structured data,…

机器学习 · 计算机科学 2019-05-28 Amin Salehi , Hasan Davulcu

Graph Transformers (GTs) have demonstrated a strong capability in modeling graph structures by addressing the intrinsic limitations of graph neural networks (GNNs), such as over-smoothing and over-squashing. Recent studies have proposed…

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)…

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

Graph Transformer, due to its global attention mechanism, has emerged as a new tool in dealing with graph-structured data. It is well recognized that the global attention mechanism considers a wider receptive field in a fully connected…

机器学习 · 计算机科学 2024-05-27 Yujie Xing , Xiao Wang , Yibo Li , Hai Huang , Chuan Shi

The dominant paradigm for machine learning on graphs uses Message Passing Graph Neural Networks (MP-GNNs), in which node representations are updated by aggregating information in their local neighborhood. Recently, there have been…

机器学习 · 计算机科学 2023-03-02 Daniel Glickman , Eran Yahav

This paper presents a novel transformer architecture for graph representation learning. The core insight of our method is to fully consider the information propagation among nodes and edges in a graph when building the attention module in…

机器学习 · 计算机科学 2024-10-10 Zhe Chen , Hao Tan , Tao Wang , Tianrun Shen , Tong Lu , Qiuying Peng , Cheng Cheng , Yue Qi

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

This paper presents a novel methodology that transforms discrete-time quantum walks into a graph embedding technique, offering a fresh perspective on graph representation methods.Through mathematical manipulations, the approach of this…

量子物理 · 物理学 2024-07-17 Boxuan Ai

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…

机器学习 · 计算机科学 2021-06-14 Seongjun Yun , Minbyul Jeong , Sungdong Yoo , Seunghun Lee , Sean S. Yi , Raehyun Kim , Jaewoo Kang , Hyunwoo J. Kim

Transformers have demonstrated success in graph learning, particularly for node-level tasks. However, existing methods encounter an information bottleneck when generating graph-level representations. The prevalent single token paradigm…

机器学习 · 计算机科学 2026-02-11 Ruixiang Wang , Yuyang Hong , Shiming Xiang , Chunhong Pan

Graph Transformers (GTs) have emerged as powerful architectures for graph-structured data, yet remain constrained by rigid designs and lack quantifiable interpretability. Current state-of-the-art GTs commit to fixed GNN types across all…

机器学习 · 计算机科学 2025-11-03 Shruti Sarika Chakraborty , Peter Minary

Graph is a fundamental data structure to model interconnections between entities. Set, on the contrary, stores independent elements. To learn graph representations, current Graph Neural Networks (GNNs) primarily use message passing to…

机器学习 · 计算机科学 2024-06-03 Xiyuan Wang , Pan Li , Muhan Zhang

Graph Transformers (GTs) have recently demonstrated remarkable performance across diverse domains. By leveraging attention mechanisms, GTs are capable of modeling long-range dependencies and complex structural relationships beyond local…

机器学习 · 计算机科学 2025-06-06 Jiachen Tang , Zhonghao Wang , Sirui Chen , Sheng Zhou , Jiawei Chen , Jiajun Bu

Many machine learning tasks such as multiple instance learning, 3D shape recognition, and few-shot image classification are defined on sets of instances. Since solutions to such problems do not depend on the order of elements of the set,…

机器学习 · 计算机科学 2019-05-28 Juho Lee , Yoonho Lee , Jungtaek Kim , Adam R. Kosiorek , Seungjin Choi , Yee Whye Teh