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Training graph neural networks on large datasets has long been a challenge. Traditional approaches include efficiently representing the whole graph in-memory, designing parameter efficient and sampling-based models, and graph partitioning…

Machine Learning · Computer Science 2024-11-19 Dmytro Lopushanskyy , Borun Shi

This paper presents a general graph representation learning framework called DeepGL for learning deep node and edge representations from large (attributed) graphs. In particular, DeepGL begins by deriving a set of base features (e.g.,…

Machine Learning · Statistics 2017-10-17 Ryan A. Rossi , Rong Zhou , Nesreen K. Ahmed

Modern data analysis pipelines are becoming increasingly complex due to the presence of multi-view information sources. While graphs are effective in modeling complex relationships, in many scenarios a single graph is rarely sufficient to…

Machine Learning · Statistics 2019-04-02 Uday Shankar Shanthamallu , Jayaraman J. Thiagarajan , Huan Song , Andreas Spanias

Various Graph Neural Networks (GNNs) have been successful in analyzing data in non-Euclidean spaces, however, they have limitations such as oversmoothing, i.e., information becomes excessively averaged as the number of hidden layers…

Machine Learning · Computer Science 2024-01-23 Jaeyoon Sim , Sooyeon Jeon , InJun Choi , Guorong Wu , Won Hwa Kim

Graph embedding methods aim at finding useful graph representations by mapping nodes to a low-dimensional vector space. It is a task with important downstream applications, such as link prediction, graph reconstruction, data visualization,…

Machine Learning · Computer Science 2022-09-13 Said Kerrache , Hafida Benhidour

We revisit the effectiveness of topological descriptors for molecular graph classification and design a simple, yet strong baseline. We demonstrate that a simple approach to feature engineering - employing histogram aggregation of edge…

Machine Learning · Computer Science 2024-07-24 Jakub Adamczyk , Wojciech Czech

We propose a new method for embedding graphs while preserving directed edge information. Learning such continuous-space vector representations (or embeddings) of nodes in a graph is an important first step for using network information…

Machine Learning · Computer Science 2017-09-15 Sami Abu-El-Haija , Bryan Perozzi , Rami Al-Rfou

Biological and cellular systems are often modeled as graphs in which vertices represent objects of interest (genes, proteins, drugs) and edges represent relational ties among these objects (binds-to, interacts-with, regulates). This…

Machine Learning · Statistics 2017-03-16 Jose Lugo-Martinez , Predrag Radivojac

The majority of popular graph kernels is based on the concept of Haussler's $\mathcal{R}$-convolution kernel and defines graph similarities in terms of mutual substructures. In this work, we enrich these similarity measures by considering…

Machine Learning · Computer Science 2021-10-25 Till Hendrik Schulz , Pascal Welke , Stefan Wrobel

Graph Neural Networks (GNNs) are an effective framework for representation learning of graphs. GNNs follow a neighborhood aggregation scheme, where the representation vector of a node is computed by recursively aggregating and transforming…

Machine Learning · Computer Science 2019-02-26 Keyulu Xu , Weihua Hu , Jure Leskovec , Stefanie Jegelka

Graph convolutional networks have been successful in addressing graph-based tasks such as semi-supervised node classification. Existing methods use a network structure defined by the user based on experimentation with fixed number of layers…

Machine Learning · Computer Science 2021-01-21 Negar Heidari , Alexandros Iosifidis

With the unprecedented proliferation of machine learning software, there is an ever-increasing need to generate efficient code for such applications. State-of-the-art deep-learning compilers like TVM and Halide incorporate a learning-based…

Machine Learning · Computer Science 2021-08-31 Shikhar Singh , Benoit Steiner , James Hegarty , Hugh Leather

Graph-level representations are crucial tools for characterising structural differences between graphs. However, comparing graphs with different cardinalities, even when sampled from the same underlying distribution, remains challenging.…

Machine Learning · Computer Science 2026-05-08 Katharina Limbeck , Nadja Häusermann , Martin Carrasco , Guy Wolf , Bastian Rieck

The computation of distance measures between nodes in graphs is inefficient and does not scale to large graphs. We explore dense vector representations as an effective way to approximate the same information: we introduce a simple yet…

Computation and Language · Computer Science 2019-06-18 Andrey Kutuzov , Mohammad Dorgham , Oleksiy Oliynyk , Chris Biemann , Alexander Panchenko

We propose an adaptive node feature selection approach for graph neural networks (GNNs) that identifies and removes unnecessary features during training. The ability to measure how features contribute to model output is key for interpreting…

Machine Learning · Computer Science 2026-05-04 Ali Azizpour , Madeline Navarro , Santiago Segarra

This paper studies the problem of detecting anomalous graphs using a machine learning model trained on only normal graphs, which has many applications in molecule, biology, and social network data analysis. We present a self-discriminative…

Machine Learning · Computer Science 2023-10-11 Jinyu Cai , Yunhe Zhang , Jicong Fan

The convolution operator at the core of many modern neural architectures can effectively be seen as performing a dot product between an input matrix and a filter. While this is readily applicable to data such as images, which can be…

Machine Learning · Computer Science 2025-11-26 Luca Cosmo , Giorgia Minello , Alessandro Bicciato , Michael Bronstein , Emanuele Rodolà , Luca Rossi , Andrea Torsello

A central problem in hyperspectral image classification is obtaining high classification accuracy when using a limited amount of labelled data. In this paper we present a novel graph-based framework, which aims to tackle this problem in the…

Computer Vision and Pattern Recognition · Computer Science 2020-06-24 Philip Sellars , Angelica Aviles-Rivero , Carola-Bibiane Schönlieb

Nowadays, graph-structured data are increasingly used to model complex systems. Meanwhile, detecting anomalies from graph has become a vital research problem of pressing societal concerns. Anomaly detection is an unsupervised learning task…

Machine Learning · Computer Science 2021-03-29 Xuhong Wang , Baihong Jin , Ying Du , Ping Cui , Yupu Yang

Graphlets are induced subgraphs of a large network and are important for understanding and modeling complex networks. Despite their practical importance, graphlets have been severely limited to applications and domains with relatively small…

Social and Information Networks · Computer Science 2017-03-01 Ryan A. Rossi , Rong Zhou , Nesreen K. Ahmed