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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…

Machine Learning · Computer Science 2024-06-05 Hongkang Li , Meng Wang , Tengfei Ma , Sijia Liu , Zaixi Zhang , Pin-Yu Chen

Positional encodings (PEs) are essential for building powerful and expressive graph neural networks and graph transformers, as they effectively capture the relative spatial relationships between nodes. Although extensive research has been…

Machine Learning · Computer Science 2026-03-16 Yinan Huang , Haoyu Wang , Pan Li

Graph classification is a fundamental but challenging issue for numerous real-world applications. Despite recent great progress in image/video classification, convolutional neural networks (CNNs) cannot yet cater to graphs well because of…

Social and Information Networks · Computer Science 2020-01-13 Jiatao Jiang , Chunyan Xu , Zhen Cui , Tong Zhang , Wenming Zheng , Jian Yang

Given a set of graphs from some unknown family, we want to generate new graphs from that family. Recent methods use diffusion on either graph embeddings or the discrete space of nodes and edges. However, simple changes to embeddings (say,…

Machine Learning · Computer Science 2026-05-08 Rahul Nandakumar , Deepayan Chakrabarti

Graph Transformers (GTs) facilitate the comprehension of graph-structured data by calculating the self-attention of node pairs without considering node position information. To address this limitation, we introduce an innovative and…

Machine Learning · Computer Science 2023-12-12 Kushal Bose , Swagatam Das

Designing effective positional encodings for graphs is key to building powerful graph transformers and enhancing message-passing graph neural networks. Although widespread, using Laplacian eigenvectors as positional encodings faces two…

Machine Learning · Computer Science 2024-06-11 Yinan Huang , William Lu , Joshua Robinson , Yu Yang , Muhan Zhang , Stefanie Jegelka , Pan Li

Graphs are often used to organize data because of their simple topological structure, and therefore play a key role in machine learning. And it turns out that the low-dimensional embedded representation obtained by graph representation…

Machine Learning · Computer Science 2021-01-05 Xing Li , Wei Wei , Xiangnan Feng , Zhiming Zheng

Supervised learning with tabular data presents unique challenges, including low data sizes, the absence of structural cues, and heterogeneous features spanning both categorical and continuous domains. Unlike vision and language tasks, where…

Machine Learning · Computer Science 2025-12-18 Yunze Leng , Rohan Ghosh , Mehul Motani

Graph is a ubiquitous representation of data in various research fields, and graph embedding is a prevalent machine learning technique for capturing key features and generating fixed-sized attributes. However, most state-of-the-art graph…

Machine Learning · Computer Science 2024-10-10 Xihan Qin , Cencheng Shen

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

In deep neural networks, better results can often be obtained by increasing the complexity of previously developed basic models. However, it is unclear whether there is a way to boost performance by decreasing the complexity of such models.…

Machine Learning · Computer Science 2021-09-07 Junran Wu , Jianhao Li , Yicheng Pan , Ke Xu

Graph Neural Networks (GNNs) are de facto solutions to structural data learning. However, it is susceptible to low-quality and unreliable structure, which has been a norm rather than an exception in real-world graphs. Existing graph…

Machine Learning · Computer Science 2023-03-20 Dongcheng Zou , Hao Peng , Xiang Huang , Renyu Yang , Jianxin Li , Jia Wu , Chunyang Liu , Philip S. Yu

Graph is a fundamental data structure to model interconnections between entities. Set, on the contrary, stores independent elements. To learn graph representations, current Graph Neural Networks (GNNs) primarily use message passing to…

Machine Learning · Computer Science 2024-06-03 Xiyuan Wang , Pan Li , Muhan Zhang

Cycles are fundamental elements in graph-structured data and have demonstrated their effectiveness in enhancing graph learning models. To encode such information into a graph learning framework, prior works often extract a summary quantity,…

Machine Learning · Computer Science 2023-12-01 Zuoyu Yan , Tengfei Ma , Liangcai Gao , Zhi Tang , Chao Chen , Yusu Wang

Masked graph autoencoder (MGAE) has emerged as a promising self-supervised graph pre-training (SGP) paradigm due to its simplicity and effectiveness. However, existing efforts perform the mask-then-reconstruct operation in the raw data…

Machine Learning · Computer Science 2023-04-07 Wenxuan Tu , Qing Liao , Sihang Zhou , Xin Peng , Chuan Ma , Zhe Liu , Xinwang Liu , Zhiping Cai

Graph neural networks (GNNs) largely rely on the message-passing paradigm, where nodes iteratively aggregate information from their neighbors. Yet, standard message passing neural networks (MPNNs) face well-documented theoretical and…

Machine Learning · Computer Science 2026-05-15 Juan Amboage , Ernst Röell , Patrick Schnider , Bastian Rieck

In this study, we focus on the graph representation learning (a.k.a. network embedding) in attributed graphs. Different from existing embedding methods that treat the incorporation of graph structure and semantic as the simple combination…

Social and Information Networks · Computer Science 2023-05-12 Meng Qin

Machine learning on graphs is an important and ubiquitous task with applications ranging from drug design to friendship recommendation in social networks. The primary challenge in this domain is finding a way to represent, or encode, graph…

Social and Information Networks · Computer Science 2018-04-11 William L. Hamilton , Rex Ying , Jure Leskovec

Graph Transformer has recently received wide attention in the research community with its outstanding performance, yet its structural expressive power has not been well analyzed. Inspired by the connections between Weisfeiler-Lehman (WL)…

Machine Learning · Computer Science 2023-05-24 Wenhao Zhu , Tianyu Wen , Guojie Song , Liang Wang , Bo Zheng

Structural and Positional Encodings can significantly improve the performance of Graph Neural Networks in downstream tasks. Recent literature has begun to systematically investigate differences in the structural properties that these…

Machine Learning · Computer Science 2024-03-14 Lukas Fesser , Melanie Weber