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Graph neural networks (GNNs) demonstrate a robust capability for representation learning on graphs with complex structures, showcasing superior performance in various applications. The majority of existing GNNs employ a graph convolution…

Machine Learning · Computer Science 2025-02-19 Jinlu Wang , Jipeng Guo , Yanfeng Sun , Junbin Gao , Shaofan Wang , Yachao Yang , Baocai Yin

In this paper, we study the problem of unsupervised graph representation learning by harnessing the control properties of dynamical networks defined on graphs. Our approach introduces a novel framework for contrastive learning, a widely…

Machine Learning · Computer Science 2024-04-19 Obaid Ullah Ahmad , Anwar Said , Mudassir Shabbir , Waseem Abbas , Xenofon Koutsoukos

In recent years, there has been a resurgence in methods that use distributed (neural) representations to represent and reason about semantic knowledge for robotics applications. However, while robots often observe previously unknown…

Robotics · Computer Science 2021-05-11 Angel Daruna , Mehul Gupta , Mohan Sridharan , Sonia Chernova

Network data are ubiquitous in modern machine learning, with tasks of interest including node classification, node clustering and link prediction. A frequent approach begins by learning an Euclidean embedding of the network, to which…

Machine Learning · Statistics 2023-05-18 Andrew Davison , Morgane Austern

Neural Architecture Representation Learning aims to transform network models into feature representations for predicting network attributes, playing a crucial role in deploying and designing networks for real-world applications. Recently,…

Machine Learning · Computer Science 2025-06-10 Haizhao Jing , Haokui Zhang , Zhenhao Shang , Rong Xiao , Peng Wang , Yanning Zhang

Learning low-dimensional numerical representations from symbolic data, e.g., embedding the nodes of a graph into a geometric space, is an important concept in machine learning. While embedding into Euclidean space is common, recent…

Machine Learning · Computer Science 2024-10-10 Thomas Bläsius , Jean-Pierre von der Heydt , Maximilian Katzmann , Nikolai Maas

Accurate modelling and quantification of predictive uncertainty is crucial in deep learning since it allows a model to make safer decisions when the data is ambiguous and facilitates the users' understanding of the model's confidence in its…

Machine Learning · Statistics 2025-08-26 Soumyasundar Pal , Liheng Ma , Amine Natik , Yingxue Zhang , Mark Coates

Predicating macroscopic influences of drugs on human body, like efficacy and toxicity, is a central problem of small-molecule based drug discovery. Molecules can be represented as an undirected graph, and we can utilize graph convolution…

Machine Learning · Computer Science 2017-09-19 Junying Li , Deng Cai , Xiaofei He

Graph embedding aims to transfer a graph into vectors to facilitate subsequent graph analytics tasks like link prediction and graph clustering. Most approaches on graph embedding focus on preserving the graph structure or minimizing the…

Machine Learning · Computer Science 2020-03-04 Shirui Pan , Ruiqi Hu , Sai-fu Fung , Guodong Long , Jing Jiang , Chengqi Zhang

Learning unsupervised node embeddings facilitates several downstream tasks such as node classification and link prediction. A node embedding is universal if it is designed to be used by and benefit various downstream tasks. This work…

Machine Learning · Computer Science 2021-03-05 Vassilis N. Ioannidis , Da Zheng , George Karypis

In this paper, we propose a novel graph-based approach for semi-supervised learning problems, which considers an adaptive adjacency of the examples throughout the unsupervised portion of the training. Adjacency of the examples is inferred…

Machine Learning · Computer Science 2020-08-06 Ozsel Kilinc , Ismail Uysal

Social and information networks are gaining huge popularity recently due to their various applications. Knowledge representation through graphs in the form of nodes and edges should preserve as many characteristics of the original data as…

Machine Learning · Computer Science 2021-02-08 Rucha Bhalchandra Joshi , Subhankar Mishra

We introduce an unsupervised graph embedding that trades off local node similarity and connectivity, and global structure. The embedding is based on a generalized graph Laplacian, whose eigenvectors compactly capture both network structure…

Machine Learning · Computer Science 2020-10-01 Shay Deutsch , Stefano Soatto

Graphs are ubiquitous for modeling complex systems involving structured data and relationships. Consequently, graph representation learning, which aims to automatically learn low-dimensional representations of graphs, has drawn a lot of…

Machine Learning · Computer Science 2024-10-24 Noé Cecillon , Vincent Labatut , Richard Dufour , Nejat Arınık

Representing a graph as a vector is a challenging task; ideally, the representation should be easily computable and conducive to efficient comparisons among graphs, tailored to the particular data and analytical task at hand. Unfortunately,…

Social and Information Networks · Computer Science 2018-11-16 Anton Tsitsulin , Davide Mottin , Panagiotis Karras , Alex Bronstein , Emmanuel Müller

Graph similarity computation is one of the core operations in many graph-based applications, such as graph similarity search, graph database analysis, graph clustering, etc. Since computing the exact distance/similarity between two graphs…

Machine Learning · Computer Science 2021-05-18 Yunsheng Bai , Hao Ding , Yizhou Sun , Wei Wang

Graphs have a superior ability to represent relational data, like chemical compounds, proteins, and social networks. Hence, graph-level learning, which takes a set of graphs as input, has been applied to many tasks including comparison,…

Machine Learning · Computer Science 2023-05-26 Zhenyu Yang , Ge Zhang , Jia Wu , Jian Yang , Quan Z. Sheng , Shan Xue , Chuan Zhou , Charu Aggarwal , Hao Peng , Wenbin Hu , Edwin Hancock , Pietro Liò

One fundamental challenge in graph machine learning is generalizing to new graphs. Many existing methods following the inductive setup can generalize to test graphs with new structures, but assuming the feature and label spaces remain the…

Machine Learning · Computer Science 2025-04-09 Jianan Zhao , Zhaocheng Zhu , Mikhail Galkin , Hesham Mostafa , Michael Bronstein , Jian Tang

Hyperbolic geometry has emerged as an effective latent space for representing complex networks, owing to its ability to capture hierarchical organization and heterogeneous connectivity patterns using low-dimensional embeddings. As a result,…

Machine Learning · Computer Science 2026-05-01 Sofía Pérez Casulo , Marcelo Fiori , Bernardo Marenco , Federico Larroca

Graph-based methods have been demonstrated as one of the most effective approaches for semi-supervised learning, as they can exploit the connectivity patterns between labeled and unlabeled data samples to improve learning performance.…

Machine Learning · Computer Science 2019-07-01 Qimai Li , Xiao-Ming Wu , Han Liu , Xiaotong Zhang , Zhichao Guan