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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

Transformers have recently emerged as powerful neural networks for graph learning, showcasing state-of-the-art performance on several graph property prediction tasks. However, these results have been limited to small-scale graphs, where the…

Machine Learning · Computer Science 2023-12-19 Vijay Prakash Dwivedi , Yozen Liu , Anh Tuan Luu , Xavier Bresson , Neil Shah , Tong Zhao

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

Auto-encoders have emerged as a successful framework for unsupervised learning. However, conventional auto-encoders are incapable of utilizing explicit relations in structured data. To take advantage of relations in graph-structured data,…

Machine Learning · Computer Science 2019-05-28 Amin Salehi , Hasan Davulcu

Recent progress in cross-lingual relation and event extraction use graph convolutional networks (GCNs) with universal dependency parses to learn language-agnostic sentence representations such that models trained on one language can be…

Computation and Language · Computer Science 2021-02-19 Wasi Uddin Ahmad , Nanyun Peng , Kai-Wei Chang

Graph Transformers are popular neural networks that extend the well-known Transformer architecture to the graph domain. These architectures operate by applying self-attention on graph nodes and incorporating graph structure through the use…

Machine Learning · Computer Science 2025-02-04 Linus Bao , Emily Jin , Michael Bronstein , İsmail İlkan Ceylan , Matthias Lanzinger

Multi-graph learning is crucial for extracting meaningful signals from collections of heterogeneous graphs. However, effectively integrating information across graphs with differing topologies, scales, and semantics, often in the absence of…

Machine Learning · Computer Science 2026-02-02 Zahra Moslemi , Ziyi Liang , Norbert Fortin , Babak Shahbaba

Traffic forecasting is a significant part of intelligent transportation systems. One of the critical challenges of traffic forecasting is to find spatio-temporal correlations. In recent years, graph convolutional networks and graph…

Artificial Intelligence · Computer Science 2026-05-19 Tianchi Zhang

We show that viewing graphs as sets of node features and incorporating structural and positional information into a transformer architecture is able to outperform representations learned with classical graph neural networks (GNNs). Our…

Machine Learning · Computer Science 2021-06-11 Grégoire Mialon , Dexiong Chen , Margot Selosse , Julien Mairal

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

Motivated by the remarkable successes of Graph-based Transduction (GT) and Sparse Representation (SR), we present a novel Classifier named Sparse Graph-based Classifier (SGC) for image classification. In SGC, SR is leveraged to measure the…

Computer Vision and Pattern Recognition · Computer Science 2014-12-15 Sheng Huang , Dan Yang , Jia Zhou , Luwen Huangfu , Xiaohong Zhang

We propose a graph spectral representation of time series data that 1) is parsimoniously encoded to user-demanded resolution; 2) is unsupervised and performant in data-constrained scenarios; 3) captures event and event-transition structure…

Machine Learning · Statistics 2019-10-11 Lihan Yao , Paul Bendich

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

Spatiotemporal data faces many analogous challenges to natural language text including the ordering of locations (words) in a sequence, long range dependencies between locations, and locations having multiple meanings. In this work, we…

Machine Learning · Computer Science 2024-10-15 Athanasios Tsiligkaridis , Nicholas Kalinowski , Zhongheng Li , Elizabeth Hou

Lattice structures play a central role in spectral graph theory, offering analytical insight into diffusion, synchronization, and transport processes on regular discrete spaces. While their spectral properties are completely characterized…

Combinatorics · Mathematics 2025-11-17 Eleonora Andreotti

Transformer-based models have recently shown success in representation learning on graph-structured data beyond natural language processing and computer vision. However, the success is limited to small-scale graphs due to the drawbacks of…

Machine Learning · Computer Science 2022-10-05 Jinyoung Park , Seongjun Yun , Hyeonjin Park , Jaewoo Kang , Jisu Jeong , Kyung-Min Kim , Jung-woo Ha , Hyunwoo J. Kim

In this article, we propose a novel navigation framework that leverages a two layered graph representation of the environment for efficient large-scale exploration, while it integrates a novel uncertainty awareness scheme to handle dynamic…

Robotics · Computer Science 2024-02-07 Akash Patel , Mario A V Saucedo , Christoforos Kanellakis , George Nikolakopoulos

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

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

Although graph-based learning has attracted a lot of attention, graph representation learning is still a challenging task whose resolution may impact key application fields such as chemistry or biology. To this end, we introduce GRALE, a…

Machine Learning · Computer Science 2025-10-21 Paul Krzakala , Gabriel Melo , Charlotte Laclau , Florence d'Alché-Buc , Rémi Flamary