Parsimonious Bayesian Factor Analysis for modelling latent structures in spectroscopy data

TL;DR

This paper introduces a Bayesian factor analysis method tailored for spectroscopic data, enabling low-dimensional representation and variable clustering to interpret complex milk spectra related to cow diets.

Contribution

It proposes a novel parsimonious Bayesian factor analysis model that simultaneously reduces dimensionality and clusters spectral variables, improving interpretation of high-dimensional spectroscopy data.

Findings

Effective in modeling milk spectral data

Successfully clusters spectral variables

Distinguishes milk from different cow diets

Abstract

In recent years animal diet has been receiving increased attention, in particular examining the impact of pasture-based feeding strategies on the quality of milk and dairy products, in line with the increased prevalence of grass-fed dairy products appearing on market shelves. To date, there are limited testing methods available for the verification of grass-fed dairy therefore these products are susceptible to food fraud and adulteration. Hence statistical tools studying potential differences among milk samples coming from animals on different feeding systems are required, thus providing increased security around the authenticity of the products. Infrared spectroscopy techniques are widely used to collect data on milk samples and to predict milk related traits. While these data are routinely used to predict the composition of the macro components of milk, each spectrum provides a reservoir of unharnessed information about the sample. The interpretation of these data presents a number of challenges due to their high-dimensionality and the relationships amongst the spectral variables. In this work we propose a modification of the standard factor analysis to induce a parsimonious summary of spectroscopic data. The procedure maps the observations into a low-dimensional latent space while simultaneously clustering observed variables. The method indicates possible redundancies in the data and it helps disentangle the complex relationships among the wavelengths. A flexible Bayesian estimation procedure is proposed for model fitting, providing reasonable values for the number of latent factors and clusters. The method is applied on milk mid-infrared spectroscopy data from dairy cows on different pasture and non-pasture based diets, providing accurate modelling of the data correlation, the clustering of variables and information on differences between milk samples from cows on different diets.