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Geoscientific Model Development
Article . 2025 . Peer-reviewed
License: CC BY
Data sources: Crossref
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Geoscientific Model Development
Article . 2025
Data sources: DOAJ
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Positive matrix factorization of large real-time atmospheric mass spectrometry datasets using error-weighted randomized hierarchical alternating least squares

Authors: B. C. Sapper; S. Youn; S. Youn; D. K. Henze; M. Canagaratna; H. Stark; H. Stark; +1 Authors

Positive matrix factorization of large real-time atmospheric mass spectrometry datasets using error-weighted randomized hierarchical alternating least squares

Abstract

Abstract. Weighted positive matrix factorization (PMF) has been used by scientists to find small sets of underlying factors in environmental data. However, as the size of the data has grown, increasing computational costs have made it impractical to use traditional methods for this factorization. In this paper, we present a new external weighting method to dramatically decrease computational costs for these traditional algorithms. The external weighting scheme, along with the randomized hierarchical alternating least squares (RHALS) algorithm, was applied to the Southern Oxidant and Aerosol Study (SOAS 2013) dataset of gaseous highly oxidized multifunctional molecules (HOMs). The modified RHALS algorithm successfully reproduced six previously identified interpretable factors, with the total computation time of the nonoptimized code showing potential improvements of the order of 1 to 2 orders of magnitude compared to competing algorithms. We also investigate rotational ambiguity in the solution and present a simple “pulling” method to rotate a set of factors. This method is shown to find alternative solutions and, in some cases, lower the weighted residual error of the algorithm.

Keywords

QE1-996.5, Geology

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
0
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