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Message-Passing Monte Carlo: Generating low-discrepancy point sets via graph neural networks

Abstract:
Discrepancy is a well-known measure for the irregularity of the distribution of a point set. Point sets with small discrepancy are called low-discrepancy and are known to efficiently fill the space in a uniform manner. Low-discrepancy points play a central role in many problems in science and engineering, including numerical integration, computer vision, machine perception, computer graphics, machine learning, and simulation. In this work, we present the first machine learning approach to generate a new class of low-discrepancy point sets named Message-Passing Monte Carlo (MPMC) points. Motivated by the geometric nature of generating low-discrepancy point sets, we leverage tools from Geometric Deep Learning and base our model on Graph Neural Networks. We further provide an extension of our framework to higher dimensions, which flexibly allows the generation of custom-made points that emphasize the uniformity in specific dimensions that are primarily important for the particular problem at hand. Finally, we demonstrate that our proposed model achieves state-of-the-art performance superior to previous methods by a significant margin. In fact, MPMC points are empirically shown to be either optimal or near-optimal with respect to the discrepancy for low dimension and small number of points, i.e., for which the optimal discrepancy can be determined. Code for generating MPMC points can be found at https://github.com/tk-rusch/MPMC.Published in Proceedings of the National Academy of Sciences (PNAS): https://www.pnas.org/doi/10.1073/pnas.240991312
Publication status:
Published
Peer review status:
Peer reviewed

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Publisher copy:
10.1073/pnas.2409913121
Publication website:
https://core.ac.uk/download/684996346.pdf

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Author
ORCID:
0000-0002-9495-4600
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Role:
Author
ORCID:
0000-0002-7989-809X
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Institution:
University of Oxford
Role:
Author
ORCID:
0000-0002-1262-7252
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Role:
Author
ORCID:
0000-0002-6711-602X
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Role:
Author
ORCID:
0000-0001-5473-3566


Publisher:
National Academy of Sciences
Journal:
Proceedings of the National Academy of Sciences More from this journal
Volume:
121
Issue:
40
Pages:
e2409913121-e2409913121
Publication date:
2024-09-26
DOI:
EISSN:
1091-6490
ISSN:
0027-8424


Language:
English
Keywords:
Pubs id:
2037266
Local pid:
pubs:2037266
Source identifiers:
W4402860189
Deposit date:
2026-09-05
ARK identifier:
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