Structured functional regression models for high-dimensional spatial spectroscopy data

Abstract

Modeling and analysis of spectroscopy data is an active area of research with applications to chemistry and biology. This paper focuses on analyzing Raman spectra obtained from a bone fracture healing experiment, although the functional regression model for predicting a scalar response from high-dimensional tensors can be applied to any spectroscopy data. The regression model is built on a sparse functional representation of the spectra, and accommodates multiple spatial dimensions. We apply our models to the task of predicting bone-mineral-density (BMD), an important indicator of fracture healing, from Raman spectra, in both the in vivo and ex vivo settings of the bone fracture healing experiment. To illustrate the general applicability of the method, we also use it to predict lipoprotein concentrations from spectra obtained by nuclear magnetic resonance (NMR) spectroscopy.