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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…

Machine Learning · Computer Science 2025-04-30 Zhonghao Li , Ji Shi , Xinming Zhang , Miao Zhang , Bo Li

Graph Transformers typically rely on explicit positional or structural encodings and dense global attention to incorporate graph topology. In this work, we show that neither is essential. We introduce HopFormer, a graph Transformer that…

Machine Learning · Computer Science 2026-02-03 Sanggeon Yun , Raheeb Hassan , Ryozo Masukawa , Sungheon Jeong , Mohsen Imani

Recently, Transformers for graph representation learning have become increasingly popular, achieving state-of-the-art performance on a wide-variety of graph datasets, either alone or in combination with message-passing graph neural networks…

Machine Learning · Computer Science 2024-05-07 Ayush Garg

Graph learning has become essential in various domains, including recommendation systems and social network analysis. Graph Neural Networks (GNNs) have emerged as promising techniques for encoding structural information and improving…

Machine Learning · Computer Science 2024-10-10 Lianghao Xia , Ben Kao , Chao Huang

Graph learning architectures based on the k-dimensional Weisfeiler-Leman (k-WL) hierarchy offer a theoretically well-understood expressive power. However, such architectures often fail to deliver solid predictive performance on real-world…

Machine Learning · Computer Science 2024-11-11 Luis Müller , Daniel Kusuma , Blai Bonet , Christopher Morris

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…

Machine Learning · Computer Science 2024-04-09 Zihan Pengmei , Zimu Li

Transformer-based pre-trained models have gained much advance in recent years, becoming one of the most important backbones in natural language processing. Recent work shows that the attention mechanism inside Transformer may not be…

Computation and Language · Computer Science 2022-10-27 Yile Wang , Linyi Yang , Zhiyang Teng , Ming Zhou , Yue Zhang

The incredible success of transformers on sequence modeling tasks can be largely attributed to the self-attention mechanism, which allows information to be transferred between different parts of a sequence. Self-attention allows…

Machine Learning · Computer Science 2024-08-14 Eshaan Nichani , Alex Damian , Jason D. Lee

State-of-the-art Graph Neural Networks (GNNs) have limited scalability with respect to the graph and model sizes. On large graphs, increasing the model depth often means exponential expansion of the scope (i.e., receptive field). Beyond…

Multi-head attention powers Transformer networks, the primary deep learning architecture behind the success of large language models (LLMs). Yet, the theoretical advantages of multi-head versus single-head attention, beyond mere parallel…

Machine Learning · Computer Science 2025-11-11 Haitz Sáez de Ocáriz Borde

Graph Neural Networks (GNNs) have emerged as the de facto standard for modeling graph data, with attention mechanisms and transformers significantly enhancing their performance on graph-based tasks. Despite these advancements, the…

Machine Learning · Computer Science 2025-04-07 Nikhil Shivakumar Nayak

Dimensionality reduction techniques map data represented on higher dimensions onto lower dimensions with varying degrees of information loss. Graph dimensionality reduction techniques adopt the same principle of providing latent…

Machine Learning · Computer Science 2022-11-11 Akhil Pandey Akella

Brain connectomes offer detailed maps of neural connections within the brain. Recent studies have proposed novel connectome graph datasets and attempted to improve connectome classification by using graph deep learning. With recent advances…

Machine Learning · Computer Science 2025-03-21 Jose Lara-Rangel , Clare Heinbaugh

We establish connections between the Transformer architecture, originally introduced for natural language processing, and Graph Neural Networks (GNNs) for representation learning on graphs. We show how Transformers can be viewed as message…

Machine Learning · Computer Science 2025-06-30 Chaitanya K. Joshi

Despite the remarkable success of transformer-based models in various real-world tasks, their underlying mechanisms remain poorly understood. Recent studies have suggested that transformers can implement gradient descent as an in-context…

Machine Learning · Computer Science 2024-08-09 Xingwu Chen , Lei Zhao , Difan Zou

We propose a graph-oriented attention-based explainability method for tabular data. Tasks involving tabular data have been solved mostly using traditional tree-based machine learning models which have the challenges of feature selection and…

Machine Learning · Computer Science 2024-06-05 Andrea Treviño Gavito , Diego Klabjan , Jean Utke

Learning algorithms become more powerful, often at the cost of increased complexity. In response, the demand for algorithms to be transparent is growing. In NLP tasks, attention distributions learned by attention-based deep learning models…

Computation and Language · Computer Science 2019-07-09 Joris Baan , Maartje ter Hoeve , Marlies van der Wees , Anne Schuth , Maarten de Rijke

Graph Transformers (GTs) have demonstrated significant advantages in graph representation learning through their global attention mechanisms. However, the self-attention mechanism in GTs tends to neglect the inductive biases inherent in…

Machine Learning · Computer Science 2024-12-04 Lei Yu , Hongyang Chen , Jingsong Lv , Linyao Yang

Subgraph representation learning has emerged as an important problem, but it is by default approached with specialized graph neural networks on a large global graph. These models demand extensive memory and computational resources but…

Machine Learning · Computer Science 2024-05-24 Dongkwan Kim , Alice Oh

Graphs play an important role in many applications. Recently, Graph Neural Networks (GNNs) have achieved promising results in graph analysis tasks. Some state-of-the-art GNN models have been proposed, e.g., Graph Convolutional Networks…

Machine Learning · Computer Science 2021-09-29 Yaoman Li , Irwin King