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Title: Uniform-in-phase-space data selection with iterative normalizing flows

Journal Article · · Data-Centric Engineering
DOI: https://doi.org/10.1017/dce.2023.4 · OSTI ID:1983896
ORCiD logo [1];  [1];  [2];  [1]
  1. National Renewable Energy Laboratory (NREL), Golden, CO (United States)
  2. National Renewable Energy Laboratory (NREL), Golden, CO (United States); Princeton Univ., NJ (United States)
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Improvements in computational and experimental capabilities are rapidly increasing the amount of scientific data that are routinely generated. In applications that are constrained by memory and computational intensity, excessively large datasets may hinder scientific discovery, making data reduction a critical component of data-driven methods. Datasets are growing in two directions: the number of data points and their dimensionality. Whereas dimension reduction typically aims at describing each data sample on lower-dimensional space, the focus here is on reducing the number of data points. A strategy is proposed to select data points such that they uniformly span the phase-space of the data. The algorithm proposed relies on estimating the probability map of the data and using it to construct an acceptance probability. An iterative method is used to accurately estimate the probability of the rare data points when only a small subset of the dataset is used to construct the probability map. Instead of binning the phase-space to estimate the probability map, its functional form is approximated with a normalizing flow. Therefore, the method naturally extends to high-dimensional datasets. The proposed framework is demonstrated as a viable pathway to enable data-efficient machine learning when abundant data are available.

Research Organization:
National Renewable Energy Laboratory (NREL), Golden, CO (United States)
Sponsoring Organization:
USDOE Office of Energy Efficiency and Renewable Energy (EERE), Transportation Office. Vehicle Technologies Office
Grant/Contract Number:
AC36-08GO28308
OSTI ID:
1983896
Report Number(s):
NREL/JA-2C00-86434; MainId:87207; UUID:8f09d1e9-ed4a-484b-9f21-0c73dd0bd755; MainAdminID:69667
Journal Information:
Data-Centric Engineering, Journal Name: Data-Centric Engineering Vol. 4; ISSN 2632-6736
Publisher:
Cambridge University PressCopyright Statement
Country of Publication:
United States
Language:
English

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97 MATHEMATICS AND COMPUTING
data reduction
instance selection
normalizing flows