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Despite their widespread success in various domains, Transformer networks have yet to perform well across datasets in the domain of 3D atomistic graphs such as molecules even when 3D-related inductive biases like translational invariance…

Machine Learning · Computer Science 2023-03-01 Yi-Lun Liao , Tess Smidt

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 representation learning methods have mostly been limited to the modelling of node-wise interactions. Recently, there has been an increased interest in understanding how higher-order structures can be utilised to further enhance the…

Machine Learning · Computer Science 2022-04-21 Christopher Wei Jin Goh , Cristian Bodnar , Pietro Liò

Existing sequence to sequence models for structured language tasks rely heavily on the dot product self attention mechanism, which incurs quadratic complexity in both computation and memory for input length N. We introduce the Graph Wavelet…

Computation and Language · Computer Science 2025-05-14 Andrew Kiruluta , Eric Lundy , Priscilla Burity

We introduce a transformer-based GNN model, named UGformer, to learn graph representations. In particular, we present two UGformer variants, wherein the first variant (publicized in September 2019) is to leverage the transformer on a set of…

Machine Learning · Computer Science 2022-03-09 Dai Quoc Nguyen , Tu Dinh Nguyen , Dinh Phung

Graph foundation models represent a transformative paradigm for learning transferable representations across diverse graph domains. Recent methods leverage large language models to unify graph and text modalities into a shared…

Machine Learning · Computer Science 2025-12-23 Heng Zhang , Tianyi Zhang , Yuling Shi , Xiaodong Gu , Yaomin Shen , Haochen You , Zijian Zhang , Yilei Yuan , Jin Huang

Due to the proficiency of self-attention mechanisms (SAMs) in capturing dependencies in sequence modeling, several existing dynamic graph neural networks (DGNNs) utilize Transformer architectures with various encoding designs to capture…

Machine Learning · Computer Science 2025-06-03 Jie Peng , Zhewei Wei , Yuhang Ye

Scalable graph neural networks (GNNs) have emerged as a promising technique, which exhibits superior predictive performance and high running efficiency across numerous large-scale graph-based web applications. However, (i) Most scalable…

Machine Learning · Computer Science 2024-02-12 Xunkai Li , Jingyuan Ma , Zhengyu Wu , Daohan Su , Wentao Zhang , Rong-Hua Li , Guoren Wang

Neuronal morphology encodes critical information about circuit function, development, and disease, yet current methods analyze topology or graph structure in isolation. We introduce GraPHFormer, a multimodal architecture that unifies these…

Computer Vision and Pattern Recognition · Computer Science 2026-03-24 Uzair Shah , Marco Agus , Mahmoud Gamal , Mahmood Alzubaidi , Corrado Cali , Pierre J. Magistretti , Abdesselam Bouzerdoum , Mowafa Househ

Graph Transformers (GTs) have emerged as a powerful paradigm for graph representation learning due to their ability to model diverse node interactions. However, existing GTs often rely on intricate architectural designs tailored to specific…

Computer Vision and Pattern Recognition · Computer Science 2025-10-22 Yujie Xing , Xiao Wang , Bin Wu , Hai Huang , Chuan Shi

While transformers have shown great potential on video recognition with their strong capability of capturing long-range dependencies, they often suffer high computational costs induced by the self-attention to the huge number of 3D tokens.…

Computer Vision and Pattern Recognition · Computer Science 2022-11-23 Yuxuan Liang , Pan Zhou , Roger Zimmermann , Shuicheng Yan

Implicit neural networks have emerged as a crucial technology in 3D surface reconstruction. To reconstruct continuous surfaces from discrete point clouds, encoding the input points into regular grid features (plane or volume) has been…

Computer Vision and Pattern Recognition · Computer Science 2024-01-05 Shengtao Li , Ge Gao , Yudong Liu , Yu-Shen Liu , Ming Gu

Heterogeneous Graph Neural Networks (HGNNs) have gained significant popularity in various heterogeneous graph learning tasks. However, most existing HGNNs rely on spatial domain-based methods to aggregate information, i.e., manually…

Machine Learning · Computer Science 2024-05-08 Mingguo He , Zhewei Wei , Shikun Feng , Zhengjie Huang , Weibin Li , Yu Sun , Dianhai Yu

Most approaches for semantic segmentation use only information from color cameras to parse the scenes, yet recent advancements show that using depth data allows to further improve performances. In this work, we focus on transformer-based…

Computer Vision and Pattern Recognition · Computer Science 2023-03-28 Francesco Barbato , Giulia Rizzoli , Pietro Zanuttigh

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…

Machine Learning · Computer Science 2023-03-02 Adrián Javaloy , Pablo Sanchez-Martin , Amit Levi , Isabel Valera

Heavy computation is a bottleneck limiting deep-learningbased feature matching algorithms to be applied in many realtime applications. However, existing lightweight networks optimized for Euclidean data cannot address classical feature…

Computer Vision and Pattern Recognition · Computer Science 2023-03-13 Xiaoyong Lu , Yaping Yan , Bin Kang , Songlin Du

Graph-Level Anomaly Detection (GLAD) aims to distinguish anomalous graphs within a graph dataset. However, current methods are constrained by their receptive fields, struggling to learn global features within the graphs. Moreover, most…

Machine Learning · Computer Science 2024-07-04 Fan Xu , Nan Wang , Hao Wu , Xuezhi Wen , Dalin Zhang , Siyang Lu , Binyong Li , Wei Gong , Hai Wan , Xibin Zhao

In recent years, a plethora of spectral graph neural networks (GNN) methods have utilized polynomial basis with learnable coefficients to achieve top-tier performances on many node-level tasks. Although various kinds of polynomial bases…

Machine Learning · Computer Science 2023-03-31 Qian Tao , Zhen Wang , Wenyuan Yu , Yaliang Li , Zhewei Wei

Fraud detection remains a challenging task due to the complex and deceptive nature of fraudulent activities. Current approaches primarily concentrate on learning only one perspective of the graph: either the topological structure of the…

Machine Learning · Computer Science 2025-02-12 Haolin Li , Shuyang Jiang , Lifeng Zhang , Siyuan Du , Guangnan Ye , Hongfeng Chai

Spectral Graph Neural Networks (GNNs) are gaining attention for their ability to surpass the limitations of message-passing GNNs. They rely on supervision from downstream tasks to learn spectral filters that capture the graph signal's…

Machine Learning · Computer Science 2024-05-24 Junjie Xu , Enyan Dai , Dongsheng Luo , Xiang Zhang , Suhang Wang
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