Intepretative Deep Learning using Domain Adaptation for Fluorescence Spectroscopy

Fluorescence spectroscopy is a fundamental tool in life sciences and chemistry, widely used for applications such as environmental monitoring, food quality control, and biomedical diagnostics. However, analysis of spectroscopic data with deep learning, in particular of fluorescence excitation-emission matrices (EEMs), presents significant challenges due mainly to the typically small and sparse datasets available. Furthermore, the analysis of EEMs is difficult due to their high dimensionality and overlapping spectral features. This study proposes a new approach that exploits domain adaptation with pretrained vision models, alongside a novel interpretability algorithm to address these challenges. Thanks to specialised feature engineering of the neural networks described in this work, we are now able to provide deeper and meaningful insights into the physico-chemical processes underlying the data. The proposed approach is demonstrated through the analysis of the oxidation process in extra virgin olive oil (EVOO), showing its effectiveness in predicting quality indicators and identifying relevant spectral bands. This work describes significantly innovative results in the use of deep learning for spectroscopy, transforming it from a black box into a tool for understanding complex biological and chemical processes.