Unveiling Hidden Insights in Gas Chromatography Data Analysis with Generative Adversarial Networks

Abstract

The gas chromatography analysis method for chemical substances enables accurate analysis to precisely distinguish the components of a mixture. This paper presents a technique for augmenting time-series data of chemicals measured by gas chromatography instruments with artificial intelligence techniques such as generative adversarial networks (GAN). We propose a novel GAN algorithm called GCGAN for gas chromatography data, a unified model of autoencoder (AE) and GAN for effective time-series data learning with an attention mechanism. The proposed GCGAN utilizes AE to learn a limited number of data more effectively. We also build a layer of high-performance generative adversarial neural networks based on the analysis of the features of data measured by gas chromatography instruments. Then, based on the proposed learning, we synthesize the features embedded in the gas chromatography data into a feature distribution that extracts the temporal variability. GCGAN synthesizes the features embedded in the gas chromatography data into a feature distribution that extracts the temporal variability of the data over time. We have fully implemented the proposed GCGAN and experimentally verified that the data augmented by the GCGAN have the characteristic properties of the original gas chromatography data. The augmented data demonstrate high quality with the Pearson correlation coefficient, Spearman correlation coefficient, and cosine similarity all exceeding 0.9, significantly enhancing the performance of AI classification models by 40%. This research can be effectively applied to various small dataset domains other than gas chromatography data, where data samples are limited and difficult to obtain.