Graph and Simplicial Complex Prediction Gaussian Process via the Hodgelet Representations

Fuente: arXiv
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Bibliographic Details
Main Authors: Alain, Mathieu, Takao, So, Dong, Xiaowen, Rieck, Bastian, Noutahi, Emmanuel
Format: Preprint
Published: 2025
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author Alain, Mathieu
Takao, So
Dong, Xiaowen
Rieck, Bastian
Noutahi, Emmanuel
author_facet Alain, Mathieu
Takao, So
Dong, Xiaowen
Rieck, Bastian
Noutahi, Emmanuel
contents Predicting the labels of graph-structured data is crucial in scientific applications and is often achieved using graph neural networks (GNNs). However, when data is scarce, GNNs suffer from overfitting, leading to poor performance. Recently, Gaussian processes (GPs) with graph-level inputs have been proposed as an alternative. In this work, we extend the Gaussian process framework to simplicial complexes (SCs), enabling the handling of edge-level attributes and attributes supported on higher-order simplices. We further augment the resulting SC representations by considering their Hodge decompositions, allowing us to account for homological information, such as the number of holes, in the SC. We demonstrate that our framework enhances the predictions across various applications, paving the way for GPs to be more widely used for graph and SC-level predictions.
format Preprint
id arxiv_https___arxiv_org_abs_2505_10877
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Graph and Simplicial Complex Prediction Gaussian Process via the Hodgelet Representations
Alain, Mathieu
Takao, So
Dong, Xiaowen
Rieck, Bastian
Noutahi, Emmanuel
Machine Learning
Artificial Intelligence
Predicting the labels of graph-structured data is crucial in scientific applications and is often achieved using graph neural networks (GNNs). However, when data is scarce, GNNs suffer from overfitting, leading to poor performance. Recently, Gaussian processes (GPs) with graph-level inputs have been proposed as an alternative. In this work, we extend the Gaussian process framework to simplicial complexes (SCs), enabling the handling of edge-level attributes and attributes supported on higher-order simplices. We further augment the resulting SC representations by considering their Hodge decompositions, allowing us to account for homological information, such as the number of holes, in the SC. We demonstrate that our framework enhances the predictions across various applications, paving the way for GPs to be more widely used for graph and SC-level predictions.
title Graph and Simplicial Complex Prediction Gaussian Process via the Hodgelet Representations
topic Machine Learning
Artificial Intelligence
url https://arxiv.org/abs/2505.10877