Classification of Volatile Organic Compounds by Differential Mobility Spectrometry Based on Continuity of Alpha Curves
CoRR(2024)
摘要
Background: Classification of volatile organic compounds (VOCs) is of
interest in many fields. Examples include but are not limited to medicine,
detection of explosives, and food quality control. Measurements collected with
electronic noses can be used for classification and analysis of VOCs. One type
of electronic noses that has seen considerable development in recent years is
Differential Mobility Spectrometry (DMS). DMS yields measurements that are
visualized as dispersion plots that contain traces, also known as alpha curves.
Current methods used for analyzing DMS dispersion plots do not usually utilize
the information stored in the continuity of these traces, which suggests that
alternative approaches should be investigated.
Results: In this work, for the first time, dispersion plots were interpreted
as a series of measurements evolving sequentially. Thus, it was hypothesized
that time-series classification algorithms can be effective for classification
and analysis of dispersion plots. An extensive dataset of 900 dispersion plots
for five chemicals measured at five flow rates and two concentrations was
collected. The data was used to analyze the classification performance of six
algorithms. According to our hypothesis, the highest classification accuracy of
88% was achieved by a Long-Short Term Memory neural network, which supports
our hypothesis.
Significance: A new concept for approaching classification tasks of
dispersion plots is presented and compared with other well-known classification
algorithms. This creates a new angle of view for analysis and classification of
the dispersion plots. In addition, a new dataset of dispersion plots is openly
shared to public.
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