Sparse Probabilistic Graph Circuits

Fuente: arXiv
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Autores principales: Rektoris, Martin, Papež, Milan, Šmídl, Václav, Pevný, Tomáš
Formato: Preprint
Publicado: 2025
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author Rektoris, Martin
Papež, Milan
Šmídl, Václav
Pevný, Tomáš
author_facet Rektoris, Martin
Papež, Milan
Šmídl, Václav
Pevný, Tomáš
contents Deep generative models (DGMs) for graphs achieve impressively high expressive power thanks to very efficient and scalable neural networks. However, these networks contain non-linearities that prevent analytical computation of many standard probabilistic inference queries, i.e., these DGMs are considered \emph{intractable}. While recently proposed Probabilistic Graph Circuits (PGCs) address this issue by enabling \emph{tractable} probabilistic inference, they operate on dense graph representations with $\mathcal{O}(n^2)$ complexity for graphs with $n$ nodes and \emph{$m$ edges}. To address this scalability issue, we introduce Sparse PGCs, a new class of tractable generative models that operate directly on sparse graph representation, reducing the complexity to $\mathcal{O}(n + m)$, which is particularly beneficial for $m \ll n^2$. In the context of de novo drug design, we empirically demonstrate that SPGCs retain exact inference capabilities, improve memory efficiency and inference speed, and match the performance of intractable DGMs in key metrics.
format Preprint
id arxiv_https___arxiv_org_abs_2508_07763
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Sparse Probabilistic Graph Circuits
Rektoris, Martin
Papež, Milan
Šmídl, Václav
Pevný, Tomáš
Machine Learning
Artificial Intelligence
Deep generative models (DGMs) for graphs achieve impressively high expressive power thanks to very efficient and scalable neural networks. However, these networks contain non-linearities that prevent analytical computation of many standard probabilistic inference queries, i.e., these DGMs are considered \emph{intractable}. While recently proposed Probabilistic Graph Circuits (PGCs) address this issue by enabling \emph{tractable} probabilistic inference, they operate on dense graph representations with $\mathcal{O}(n^2)$ complexity for graphs with $n$ nodes and \emph{$m$ edges}. To address this scalability issue, we introduce Sparse PGCs, a new class of tractable generative models that operate directly on sparse graph representation, reducing the complexity to $\mathcal{O}(n + m)$, which is particularly beneficial for $m \ll n^2$. In the context of de novo drug design, we empirically demonstrate that SPGCs retain exact inference capabilities, improve memory efficiency and inference speed, and match the performance of intractable DGMs in key metrics.
title Sparse Probabilistic Graph Circuits
topic Machine Learning
Artificial Intelligence
url https://arxiv.org/abs/2508.07763