Multi-label Classification with Optimal Thresholding for Multi-composition Spectroscopic Analysis

In this paper, we implement multi-label neural networks with optimal thresholding to identify gas species among a multi gas mixture in a cluttered environment. Using infrared absorption spectroscopy and tested on synthesized spectral datasets, our approach outperforms conventional binary relevance - partial least squares discriminant analysis when signal-to-noise ratio and training sample size are sufficient.