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Analysis of the Effect of Unexpected Outliers in the Classification of Spectroscopy Data

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Part of the book series: Lecture Notes in Computer Science ((LNAI,volume 6206))

Abstract

Multi-class classification algorithms are very widely used, but we argue that they are not always ideal from a theoretical perspective, because they assume all classes are characterized by the data, whereas in many applications, training data for some classes may be entirely absent, rare, or statistically unrepresentative. We evaluate one-sided classifiers as an alternative, since they assume that only one class (the target) is well characterized. We consider a task of identifying whether a substance contains a chlorinated solvent, based on its chemical spectrum. For this application, it is not really feasible to collect a statistically representative set of outliers, since that group may contain anything apart from the target chlorinated solvents. Using a new one-sided classification toolkit, we compare a One-Sided k-NN algorithm with two well-known binary classification algorithms, and conclude that the one-sided classifier is more robust to unexpected outliers.

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Glavin, F.G., Madden, M.G. (2010). Analysis of the Effect of Unexpected Outliers in the Classification of Spectroscopy Data. In: Coyle, L., Freyne, J. (eds) Artificial Intelligence and Cognitive Science. AICS 2009. Lecture Notes in Computer Science(), vol 6206. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-17080-5_15

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  • DOI: https://doi.org/10.1007/978-3-642-17080-5_15

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-642-17079-9

  • Online ISBN: 978-3-642-17080-5

  • eBook Packages: Computer ScienceComputer Science (R0)

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