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We introduce PyTorch Geometric, a library for deep learning on irregularly structured input data such as graphs, point clouds and manifolds, built upon PyTorch. In addition to general graph data structures and processing methods, it…

Machine Learning · Computer Science 2019-04-26 Matthias Fey , Jan Eric Lenssen

Recent works on representation learning for graph structured data predominantly focus on learning distributed representations of graph substructures such as nodes and subgraphs. However, many graph analytics tasks such as graph…

Artificial Intelligence · Computer Science 2017-07-18 Annamalai Narayanan , Mahinthan Chandramohan , Rajasekar Venkatesan , Lihui Chen , Yang Liu , Shantanu Jaiswal

Learning discriminative node representations benefits various downstream tasks in graph analysis such as community detection and node classification. Existing graph representation learning methods (e.g., based on random walk and contrastive…

Machine Learning · Computer Science 2022-02-15 Xiaotian Han , Zhimeng Jiang , Ninghao Liu , Qingquan Song , Jundong Li , Xia Hu

Graph representation learning is a fast-growing field where one of the main objectives is to generate meaningful representations of graphs in lower-dimensional spaces. The learned embeddings have been successfully applied to perform various…

Machine Learning · Computer Science 2021-12-21 Md. Khaledur Rahman , Ariful Azad

We introduce pyGSL, a Python library that provides efficient implementations of state-of-the-art graph structure learning models along with diverse datasets to evaluate them on. The implementations are written in GPU-friendly ways, allowing…

Machine Learning · Computer Science 2022-11-08 Max Wasserman , Gonzalo Mateos

Devising augmentations for graph contrastive learning is challenging due to their irregular structure, drastic distribution shifts, and nonequivalent feature spaces across datasets. We introduce LG2AR, Learning Graph Augmentations to Learn…

Machine Learning · Computer Science 2022-01-25 Kaveh Hassani , Amir Hosein Khasahmadi

We propose a decentralised "local2global"' approach to graph representation learning, that one can a-priori use to scale any embedding technique. Our local2global approach proceeds by first dividing the input graph into overlapping…

Machine Learning · Computer Science 2022-01-14 Lucas G. S. Jeub , Giovanni Colavizza , Xiaowen Dong , Marya Bazzi , Mihai Cucuringu

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

The inherent connectivity and dependency of graph-structured data, combined with its unique topology-driven access patterns, pose fundamental challenges to conventional data replication and request routing strategies in geo-distributed…

Databases · Computer Science 2025-10-22 Feng Yao , Xiaokang Yang , Shufeng Gong , Song Yu , Yanfeng Zhang , Ge Yu

Network embeddings have become very popular in learning effective feature representations of networks. Motivated by the recent successes of embeddings in natural language processing, researchers have tried to find network embeddings in…

Social and Information Networks · Computer Science 2017-02-23 Bijaya Adhikari , Yao Zhang , Naren Ramakrishnan , B. Aditya Prakash

In this paper, we present subgraph2vec, a novel approach for learning latent representations of rooted subgraphs from large graphs inspired by recent advancements in Deep Learning and Graph Kernels. These latent representations encode…

Machine Learning · Computer Science 2016-06-30 Annamalai Narayanan , Mahinthan Chandramohan , Lihui Chen , Yang Liu , Santhoshkumar Saminathan

Graph neural networks (GNNs) are a popular class of machine learning models whose major advantage is their ability to incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such…

Machine Learning · Computer Science 2020-06-22 Luca Franceschi , Mathias Niepert , Massimiliano Pontil , Xiao He

Time series forecasting is an extensively studied subject in statistics, economics, and computer science. Exploration of the correlation and causation among the variables in a multivariate time series shows promise in enhancing the…

Machine Learning · Computer Science 2021-04-22 Chao Shang , Jie Chen , Jinbo Bi

Tiered latent representations and latent spaces for molecular graphs provide a simple but effective way to explicitly represent and utilize groups (e.g., functional groups), which consist of the atom (node) tier, the group tier and the…

Machine Learning · Computer Science 2019-08-26 Daniel T. Chang

We propose a decentralised "local2global" approach to graph representation learning, that one can a-priori use to scale any embedding technique. Our local2global approach proceeds by first dividing the input graph into overlapping subgraphs…

Machine Learning · Computer Science 2021-07-27 Lucas G. S. Jeub , Giovanni Colavizza , Xiaowen Dong , Marya Bazzi , Mihai Cucuringu

Graph neural networks (GNN) have shown great success in learning from graph-structured data. They are widely used in various applications, such as recommendation, fraud detection, and search. In these domains, the graphs are typically large…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-03-15 Da Zheng , Xiang Song , Chengru Yang , Dominique LaSalle , George Karypis

Graphs are ubiquitous in social networks and biochemistry, where Graph Neural Networks (GNN) are the state-of-the-art models for prediction. Graphs can be evolving and it is vital to formally model and understand how a trained GNN responds…

Machine Learning · Computer Science 2024-03-12 Yazheng Liu , Xi Zhang , Sihong Xie

Graph classification is a challenging problem owing to the difficulty in quantifying the similarity between graphs or representing graphs as vectors, though there have been a few methods using graph kernels or graph neural networks (GNNs).…

Machine Learning · Computer Science 2024-08-22 Zixiao Wang , Jicong Fan

Subgraph representation learning has emerged as an important problem, but it is by default approached with specialized graph neural networks on a large global graph. These models demand extensive memory and computational resources but…

Machine Learning · Computer Science 2024-05-24 Dongkwan Kim , Alice Oh

Recently a variety of methods have been developed to encode graphs into low-dimensional vectors that can be easily exploited by machine learning algorithms. The majority of these methods start by embedding the graph nodes into a…

Machine Learning · Computer Science 2018-09-13 Yu Jin , Joseph F. JaJa
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