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CONDITIONAL PSEUDO-REVERSIBLE NORMALIZING FLOW FOR SURROGATE MODELING IN QUANTIFYING UNCERTAINTY PROPAGATION

Research output: Contribution to journalArticlepeer-review

2 Scopus citations

Abstract

We introduce a conditional pseudo-reversible normalizing flow (PR-NF) that directly learns conditional probability distributions from noisy physical models to efficiently quantify both forward and inverse uncertainty propagation. Traditional surrogate modeling approaches approximate only the deterministic component of physical models, requiring separate noise characterization and computationally expensive sampling methods for inverse problems. In this work, we develop the conditional PR-NF model to directly learn and efficiently generate samples from the conditional probability density functions (PDFs). The training process utilizes dataset consisting of input-output pairs without requiring prior knowledge about the noise and the function. Once trained, our model efficiently generates samples from conditional PDFs for any input within the training domain. Moreover, the pseudo-reversibility feature allows for the use of fully connected neural network architectures, which simplifies the implementation and enables theoretical analysis. We provide a rigorous convergence analysis of the conditional PR-NF model, showing its ability to converge to the target conditional PDF using the Kullback–Leibler divergence. To demonstrate the effectiveness of our method, we apply it to several benchmark tests and a real-world geologic carbon storage problem.

Original languageEnglish
Pages (from-to)1-28
Number of pages28
JournalJournal of Machine Learning for Modeling and Computing
Volume6
Issue number4
DOIs
StatePublished - 2025

Funding

This material is based upon work supported by the U.S. Department of Energy, Office of Science, Office of Advanced Scientific Computing Research, Applied Mathematics program under the contract ERKJ388, Office of Fusion Energy Science, and Scientific Discovery through Advanced Computing (SciDAC) program, at the Oak Ridge National Laboratory, which is operated by UT-Battelle, LLC, for the U.S. Department of Energy under Contract DE-AC05-00OR22725. We thank Hongsheng Wang and Seyyed A. Hosseini for processing reservoir simulation data for studying the geologic carbon storage problem. The source code is publicly available at https://github.com/mlmathphy/PRNF uncertainty. This manuscript has been authored by UT-Battelle, LLC, under contract DE-AC05-00OR22725 with the US Department of Energy (DOE). The US government retains and the publisher, by accepting the article for publication, acknowledges that the US government retains a nonexclusive, paid-up, irrevocable, worldwide license to reproduce the published form of this manuscript, or allow others to do so, for US government purposes. DOE will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan.

Keywords

  • conditional probability distribution
  • generative models
  • normalizing flows
  • surrogate modeling

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