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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…

Machine Learning · Computer Science 2026-03-16 Tianyin Liao , Ziwei Zhang , Yufei Sun , Chunyu Hu , Jianxin Li

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…

Machine Learning · Computer Science 2023-01-18 Ladislav Rampášek , Mikhail Galkin , Vijay Prakash Dwivedi , Anh Tuan Luu , Guy Wolf , Dominique Beaini

Graph Transformer (GT) has recently emerged as a promising neural network architecture for learning graph-structured data. However, its global attention mechanism with quadratic complexity concerning the graph scale prevents wider…

Machine Learning · Computer Science 2024-12-09 Ningyi Liao , Zihao Yu , Siqiang Luo

Graph Transformers (GTs) have shown advantages in numerous graph structure tasks but their self-attention mechanism ignores the generalization bias of graphs, with existing methods mainly compensating for this bias from aspects like…

Machine Learning · Computer Science 2025-04-29 Yonghui Zhai , Yang Zhang , Minghao Shang , Lihua Pang , Yaxin Ren

Message passing plays a vital role in graph neural networks (GNNs) for effective feature learning. However, the over-reliance on input topology diminishes the efficacy of message passing and restricts the ability of GNNs. Despite efforts to…

Machine Learning · Computer Science 2024-12-03 Junshu Sun , Chenxue Yang , Xiangyang Ji , Qingming Huang , Shuhui Wang

Vision Transformers (ViTs) have achieved impressive results in large-scale image classification. However, when training from scratch on small datasets, there is still a significant performance gap between ViTs and Convolutional Neural…

Computer Vision and Pattern Recognition · Computer Science 2025-06-04 Dongjing Shan , guiqiang chen

We propose the Interferometric Graph Transform (IGT), which is a new class of deep unsupervised graph convolutional neural network for building graph representations. Our first contribution is to propose a generic, complex-valued spectral…

Machine Learning · Computer Science 2020-06-11 Edouard Oyallon

Graph transformers have gained popularity in various graph-based tasks by addressing challenges faced by traditional Graph Neural Networks. However, the quadratic complexity of self-attention operations and the extensive layering in graph…

Machine Learning · Computer Science 2023-09-20 Reza Shirkavand , Heng Huang

We propose a novel positional encoding for learning graph on Transformer architecture. Existing approaches either linearize a graph to encode absolute position in the sequence of nodes, or encode relative position with another node using…

Machine Learning · Computer Science 2022-10-17 Wonpyo Park , Woonggi Chang , Donggeon Lee , Juntae Kim , Seung-won Hwang

Vision Transformers (ViTs) have recently become the state-of-the-art across many computer vision tasks. In contrast to convolutional networks (CNNs), ViTs enable global information sharing even within shallow layers of a network, i.e.,…

Computer Vision and Pattern Recognition · Computer Science 2023-04-04 Jongwoo Park , Kumara Kahatapitiya , Donghyun Kim , Shivchander Sudalairaj , Quanfu Fan , Michael S. Ryoo

We introduce Attention Graphs, a new tool for mechanistic interpretability of Graph Neural Networks (GNNs) and Graph Transformers based on the mathematical equivalence between message passing in GNNs and the self-attention mechanism in…

Machine Learning · Computer Science 2025-02-26 Batu El , Deepro Choudhury , Pietro Liò , Chaitanya K. Joshi

Graph Transformer is gaining increasing attention in the field of machine learning and has demonstrated state-of-the-art performance on benchmarks for graph representation learning. However, as current implementations of Graph Transformer…

Machine Learning · Computer Science 2023-05-08 Wenhao Zhu , Tianyu Wen , Guojie Song , Xiaojun Ma , Liang Wang

In real-world recommender systems, implicitly collected user feedback, while abundant, often includes noisy false-positive and false-negative interactions. The possible misinterpretations of the user-item interactions pose a significant…

Information Retrieval · Computer Science 2024-04-05 Zixuan Yi , Xi Wang , Iadh Ounis

Molecular "fingerprints" encoding structural information are the workhorse of cheminformatics and machine learning in drug discovery applications. However, fingerprint representations necessarily emphasize particular aspects of the…

Machine Learning · Statistics 2016-08-26 Steven Kearnes , Kevin McCloskey , Marc Berndl , Vijay Pande , Patrick Riley

Large Language Models (LLMs) have demonstrated remarkable capabilities in modeling sequential textual data and generalizing across diverse tasks. However, adapting LLMs to effectively handle structural data, such as knowledge graphs or web…

Computation and Language · Computer Science 2025-11-12 Jiarui Feng , Donghong Cai , Yixin Chen , Muhan Zhang

We show theoretically and empirically that the linear Transformer, when applied to graph data, can implement algorithms that solve canonical problems such as electric flow and eigenvector decomposition. The Transformer has access to…

Machine Learning · Computer Science 2025-03-04 Xiang Cheng , Lawrence Carin , Suvrit Sra

Despite that going deep has proven successful in many neural architectures, the existing graph transformers are relatively shallow. In this work, we explore whether more layers are beneficial to graph transformers, and find that current…

Machine Learning · Computer Science 2023-03-02 Haiteng Zhao , Shuming Ma , Dongdong Zhang , Zhi-Hong Deng , Furu Wei

Offline reinforcement learning (RL) is a challenging task, whose objective is to learn policies from static trajectory data without interacting with the environment. Recently, offline RL has been viewed as a sequence modeling problem, where…

Machine Learning · Computer Science 2023-03-08 Shengchao Hu , Li Shen , Ya Zhang , Dacheng Tao

Missing data is a pervasive challenge in wireless networks and many other domains, often compromising the performance of machine learning and deep learning models. To address this, we propose a novel framework, FGATT, that combines the…

Machine Learning · Computer Science 2025-02-04 Jinming Xing , Chang Xue , Dongwen Luo , Ruilin Xing

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