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Graph generation is a critical task in numerous domains, including molecular design and social network analysis, due to its ability to model complex relationships and structured data. While most modern graph generative models utilize…

Machine Learning · Computer Science 2025-06-04 Xiaohui Chen , Yinkai Wang , Jiaxing He , Yuanqi Du , Soha Hassoun , Xiaolin Xu , Li-Ping Liu

Transformers have achieved remarkable success in time series modeling, yet their internal mechanisms remain opaque. This work demystifies the Transformer encoder by establishing its fundamental equivalence to a Graph Convolutional Network…

Machine Learning · Computer Science 2025-10-21 Chen Zhang , Weixin Bu , Wendong Xu , Runsheng Yu , Yik-Chung Wu , Ngai Wong

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

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

Graph neural networks (GNNs) have garnered significant attention due to their ability to represent graph data. Among various GNN variants, graph attention network (GAT) stands out since it is able to dynamically learn the importance of…

Machine Learning · Computer Science 2024-08-19 Tiqiao Wei , Ye Yuan

The computer vision community has witnessed an extensive exploration of vision transformers in the past two years. Drawing inspiration from traditional schemes, numerous works focus on introducing vision-specific inductive biases. However,…

Computer Vision and Pattern Recognition · Computer Science 2025-04-10 Hao Wang , Shuo Zhang , Biao Leng

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

Electronic Health Records (EHR) systematically organize patient health data through standardized medical codes, serving as a comprehensive and invaluable source for predictive modeling. Graph neural networks (GNNs) have demonstrated…

Machine Learning · Computer Science 2025-08-29 Haiyan Wang , Ye Yuan

Learning node embeddings that capture a node's position within the broader graph structure is crucial for many prediction tasks on graphs. However, existing Graph Neural Network (GNN) architectures have limited power in capturing the…

Machine Learning · Computer Science 2019-06-17 Jiaxuan You , Rex Ying , Jure Leskovec

The dominant graph-to-sequence transduction models employ graph neural networks for graph representation learning, where the structural information is reflected by the receptive field of neurons. Unlike graph neural networks that restrict…

Computation and Language · Computer Science 2019-12-03 Deng Cai , Wai Lam

Graph neural networks (GNNs) have brought revolutionary advancements to the field of link prediction (LP), providing powerful tools for mining potential relationships in graphs. However, existing methods face challenges when dealing with…

Machine Learning · Computer Science 2025-12-30 Huashen Lu , Wensheng Gan , Guoting Chen , Zhichao Huang , Philip S. Yu

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…

Neural and Evolutionary Computing · Computer Science 2024-11-26 Nathan Leroux , Paul-Philipp Manea , Chirag Sudarshan , Jan Finkbeiner , Sebastian Siegel , John Paul Strachan , Emre Neftci

Pre-training Transformer from large-scale raw texts and fine-tuning on the desired task have achieved state-of-the-art results on diverse NLP tasks. However, it is unclear what the learned attention captures. The attention computed by…

Computation and Language · Computer Science 2019-11-05 Yau-Shian Wang , Hung-Yi Lee , Yun-Nung Chen

Graph Convolutional Networks (GCNs) gained traction for graph representation learning, with recent attention on improving performance on heterophilic graphs for various real-world applications. The localized feature aggregation in a typical…

Machine Learning · Computer Science 2025-07-30 Garv Kaushik

Recent progress on parse tree encoder for sentence representation learning is notable. However, these works mainly encode tree structures recursively, which is not conducive to parallelization. On the other hand, these works rarely take…

Computation and Language · Computer Science 2022-05-10 Junhua Ma , Jiajun Li , Yuxuan Liu , Shangbo Zhou , Xue Li

Graph Neural Networks are notorious for its memory consumption. A recent Transformer-based GNN called Graph Transformer is shown to obtain superior performances when long range dependencies exist. However, combining graph data and…

Machine Learning · Computer Science 2024-03-25 Eugene Ku

Due to the highly parallelizable architecture, Transformer is faster to train than RNN-based models and popularly used in machine translation tasks. However, at inference time, each output word requires all the hidden states of the…

Computation and Language · Computer Science 2019-09-06 Chengyi Wang , Shuangzhi Wu , Shujie Liu

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…

Machine Learning · Computer Science 2024-09-16 Qitian Wu , Kai Yang , Hengrui Zhang , David Wipf , Junchi Yan

Graph Transformers (GTs) have emerged as a promising graph learning tool, leveraging their all-pair connected property to effectively capture global information. To address the over-smoothing problem in deep GNNs, global attention was…

Machine Learning · Computer Science 2025-12-17 Chaohao Yuan , Zhenjie Song , Ercan Engin Kuruoglu , Kangfei Zhao , Yang Liu , Deli Zhao , Hong Cheng , Yu Rong

Unlike conventional "black-box" transformers with classical self-attention mechanism, we build a lightweight and interpretable transformer-like neural net by unrolling a mixed-graph-based optimization algorithm to forecast traffic with…

Machine Learning · Computer Science 2026-02-04 Ji Qi , Tam Thuc Do , Mingxiao Liu , Zhuoshi Pan , Yuzhe Li , Gene Cheung , H. Vicky Zhao