TY - JOUR
T1 - A Generalized Kernel Method for Global Sensitivity Analysis
AU - Barr, John
AU - Rabitz, Herschel
N1 - Funding Information:
∗Received by the editors August 3, 2020; accepted for publication (in revised form) September 9, 2021; published electronically January 10, 2022. https://doi.org/10.1137/20M1354829 Funding: The work of the first author was supported by NSF grant CHE-1763198 and the Princeton Program in Plasma Sciences and Technology. The work of the second author was partially supported by DOE grant DE-FG02-02EF15344 for simulation aspects of the research and ARO grant W911NF-19-1-0382 for mathematical components of the research. †Department of Chemistry, Princeton University, Princeton, NJ 085044 USA (jbarr@Princeton.EDU, hrabitz@ princeton.edu).
Publisher Copyright:
© 2022 Society for Industrial and Applied Mathematics and American Statistical Association
PY - 2022
Y1 - 2022
N2 - Global sensitivity analysis (GSA) is frequently used to analyze how the uncertainty in input parameters of computational models or in experimental setups influences the uncertainty of an output. Here we describe a class of GSA measures based on the embedding of the multiple output’s joint probability distribution into a reproducing kernel Hilbert space (RKHS). In particular, the distance between embeddings is measured utilizing the maximum mean discrepancy, which has several key advantages over many common sensitivity measures. First, the proposed methodology defines measures for an arbitrary type of output, while maintaining easy computability for high-dimensional outputs. Second, by utilizing different kernels, or RKHSs, one can determine how the input parameters influence different features of the output distribution. This new class of sensitivity analysis measures, encapsulated into what are called βk-indicators, are shown to contain both moment-independent and moment-based measures as special cases. The specific βk-indicator arises from the particular choice of kernel. This analysis includes deriving new GSA measures as well as showing that certain previously proposed GSA measures, such as the variance-based indicators, are special cases of the βk-indicators. Some basic test cases are used to showcase that the βk-indicator derived from kernel-based GSA provides flexible tools capable of assessing a broad range of applications.
AB - Global sensitivity analysis (GSA) is frequently used to analyze how the uncertainty in input parameters of computational models or in experimental setups influences the uncertainty of an output. Here we describe a class of GSA measures based on the embedding of the multiple output’s joint probability distribution into a reproducing kernel Hilbert space (RKHS). In particular, the distance between embeddings is measured utilizing the maximum mean discrepancy, which has several key advantages over many common sensitivity measures. First, the proposed methodology defines measures for an arbitrary type of output, while maintaining easy computability for high-dimensional outputs. Second, by utilizing different kernels, or RKHSs, one can determine how the input parameters influence different features of the output distribution. This new class of sensitivity analysis measures, encapsulated into what are called βk-indicators, are shown to contain both moment-independent and moment-based measures as special cases. The specific βk-indicator arises from the particular choice of kernel. This analysis includes deriving new GSA measures as well as showing that certain previously proposed GSA measures, such as the variance-based indicators, are special cases of the βk-indicators. Some basic test cases are used to showcase that the βk-indicator derived from kernel-based GSA provides flexible tools capable of assessing a broad range of applications.
KW - global sensitivity analysis
KW - kernel methods
KW - moment-independent sensitivity analysis
KW - multivariate output
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U2 - 10.1137/20M1354829
DO - 10.1137/20M1354829
M3 - Article
AN - SCOPUS:85130574108
SN - 2166-2525
VL - 10
SP - 27
EP - 54
JO - SIAM-ASA Journal on Uncertainty Quantification
JF - SIAM-ASA Journal on Uncertainty Quantification
IS - 1
ER -