Work

Resampling as a Robust Measure of Model Complexity in PARAFAC Models

Year: 2024

Type: article

Abstract: ABSTRACT Fluorescence spectroscopy has been applied for analysis of complex samples, such as food and beverages. Parallel factor analysis (PARAFAC) is a well‐known decomposition method for fluorescence excitation–emission matrices (EEMs). When the complexity of the system increases, it becomes considerably more difficult to determine the optimal number of PARAFAC components, especially when the fluorophores of the system are unknown. The two commonly applied diagnostics, core consistency and split‐half analysis, appear to underestimate the model complexity due to covarying components and local minima, respectively. As a more robust alternative, we propose a resampling approach with multiple initializations and submodel comparisons for estimating the optimal number of PARAFAC components in complex data.

Source: Journal of Chemometrics

DOI: 10.1002/cem.3601

Authors: Helene Fog Froriep Halberg, Marta Bevilacqua, Åsmund Rinnan

Institution: University of Copenhagen

Language: English

Topic: Tensor decomposition and applications

Subfield: Computational Mathematics

Field: Mathematics

Domain: Physical Sciences

Open Access status: hybrid

Estimated APC paid: $4,530

Funder: Innovationsfonden