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Graph Transformers, which incorporate self-attention and positional encoding, have recently emerged as a powerful architecture for various graph learning tasks. Despite their impressive performance, the complex non-convex interactions…

机器学习 · 计算机科学 2024-06-05 Hongkang Li , Meng Wang , Tengfei Ma , Sijia Liu , Zaixi Zhang , Pin-Yu Chen

Learning representations on large graphs is a long-standing challenge due to the inter-dependence nature. Transformers recently have shown promising performance on small graphs thanks to its global attention for capturing all-pair…

机器学习 · 计算机科学 2024-09-16 Qitian Wu , Kai Yang , Hengrui Zhang , David Wipf , Junchi Yan

Graph Transformers (GTs) have demonstrated superior performance compared to traditional message-passing graph neural networks in many studies, especially in processing graph data with long-range dependencies. However, GTs tend to suffer…

机器学习 · 计算机科学 2025-04-30 Zhonghao Li , Ji Shi , Xinming Zhang , Miao Zhang , Bo Li

Graph Representation Learning (GRL) is an influential methodology, enabling a more profound understanding of graph-structured data and aiding graph clustering, a critical task across various domains. The recent incursion of attention…

机器学习 · 计算机科学 2023-08-15 Shuo Han , Jiacheng Liu , Jiayun Wu , Yinan Chen , Li Tao

Transformer networks, driven by self-attention, are central to Large Language Models. In generative Transformers, self-attention uses cache memory to store token projections, avoiding recomputation at each time step. However, GPU-stored…

神经与进化计算 · 计算机科学 2024-11-26 Nathan Leroux , Paul-Philipp Manea , Chirag Sudarshan , Jan Finkbeiner , Sebastian Siegel , John Paul Strachan , Emre Neftci

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

Existing Graph Neural Networks (GNNs) compute the message exchange between nodes by either aggregating uniformly (convolving) the features of all the neighboring nodes, or by applying a non-uniform score (attending) to the features. Recent…

机器学习 · 计算机科学 2023-03-02 Adrián Javaloy , Pablo Sanchez-Martin , Amit Levi , Isabel Valera

We present an approach to modifying Transformer architectures by integrating graph-aware relational reasoning into the attention mechanism, merging concepts from graph neural networks and language modeling. Building on the inherent…

机器学习 · 计算机科学 2025-03-06 Markus J. Buehler

Graph Transformers (GTs), which integrate message passing and self-attention mechanisms simultaneously, have achieved promising empirical results in graph prediction tasks. However, the design of scalable and topology-aware node…

神经与进化计算 · 计算机科学 2025-12-12 Huizhe Zhang , Jintang Li , Yuchang Zhu , Huazhen Zhong , Liang Chen

Dynamic graph learning plays a pivotal role in modeling evolving relationships over time, especially for temporal link prediction tasks in domains such as traffic systems, social networks, and recommendation platforms. While…

机器学习 · 计算机科学 2025-11-18 Tao Zou , Chengfeng Wu , Tianxi Liao , Junchen Ye , Bowen Du

We propose a recipe on how to build a general, powerful, scalable (GPS) graph Transformer with linear complexity and state-of-the-art results on a diverse set of benchmarks. Graph Transformers (GTs) have gained popularity in the field of…

机器学习 · 计算机科学 2023-01-18 Ladislav Rampášek , Mikhail Galkin , Vijay Prakash Dwivedi , Anh Tuan Luu , Guy Wolf , Dominique Beaini

The design of Graph Transformers (GTs) generally neglects considerations for fairness, resulting in biased outcomes against certain sensitive subgroups. Since GTs encode graph information without relying on message-passing mechanisms,…

机器学习 · 计算机科学 2024-04-29 Renqiang Luo , Huafei Huang , Shuo Yu , Xiuzhen Zhang , Feng Xia

Transformers have achieved remarkable success across domains, motivating the rise of Graph Transformers (GTs) as attention-based architectures for graph-structured data. A key design choice in GTs is the use of Graph Neural Network…

机器学习 · 计算机科学 2026-05-29 Javier Porras-Valenzuela , Zhiyang Wang , Xiaotao Shang , Yusu Wang , Alejandro Ribeiro

Message Passing Neural Networks have recently become the most popular approach to graph machine learning tasks; however, their receptive field is limited by the number of message passing layers. To increase the receptive field, Graph…

机器学习 · 计算机科学 2026-04-10 Oleg Platonov , Liudmila Prokhorenkova

Linear attention mechanisms have emerged as efficient alternatives to full self-attention in Graph Transformers, offering linear time complexity. However, existing linear attention models often suffer from a significant drop in…

计算机视觉与模式识别 · 计算机科学 2026-01-29 Zhaolin Hu , Kun Li , Hehe Fan , Yi Yang

In representation learning on graph-structured data, many popular graph neural networks (GNNs) fail to capture long-range dependencies, leading to performance degradation. Furthermore, this weakness is magnified when the concerned graph is…

机器学习 · 计算机科学 2024-03-07 Mengying Jiang , Guizhong Liu , Yuanchao Su , Xinliang Wu

In heterogeneous graphs, we can observe complex structures such as tree-like or hierarchical structures. Recently, the hyperbolic space has been widely adopted in many studies to effectively learn these complex structures. Although these…

机器学习 · 计算机科学 2026-01-14 Jongmin Park , Seunghoon Han , Hyewon Lee , Won-Yong Shin , Sungsu Lim

Recent years have witnessed the emerging success of graph neural networks (GNNs) for modeling structured data. However, most GNNs are designed for homogeneous graphs, in which all nodes and edges belong to the same types, making them…

机器学习 · 计算机科学 2020-03-04 Ziniu Hu , Yuxiao Dong , Kuansan Wang , Yizhou Sun

Graph neural networks (GNNs) have recently achieved state-of-the-art performance in many graph-based applications. Despite the high expressive power, they typically need to perform an expensive recursive neighborhood expansion in multiple…

机器学习 · 计算机科学 2022-06-10 Wentao Zhang , Ziqi Yin , Zeang Sheng , Wen Ouyang , Xiaosen Li , Yangyu Tao , Zhi Yang , Bin Cui

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…