A comparison of online methods for change point detection in ion-mobility spectrometry data

Anton Rauhameri; Katri Salminen; Jussi Rantala; Timo Salpavaara; Jarmo Verho; Veikko Surakka; Jukka Lekkala; Antti Vehkaoja; Philipp Müller

doi:10.1016/j.array.2022.100151

A comparison of online methods for change point detection in ion-mobility spectrometry data

Anton Rauhameri, Katri Salminen, Jussi Rantala, Timo Salpavaara, Jarmo Verho, Veikko Surakka, Jukka Lekkala, Antti Vehkaoja, Philipp Müller

Computing Sciences

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Abstract

When on-site classification of volatile organic compounds (VOCs) is required, a portable ion mobility spectrometer (IMS) is a suitable choice. However, the IMS readings often show transient phases before they stabilize. Even so the importance of transient phase and features extracted from it has been highlighted in the literature, it has not, to our knowledge, been used for IMS-based classification so far. This paper analyzes whether change point detection algorithms with low computational complexity can separate transient and stable phases in IMS readings. The algorithms were tested on IMS data from different types of mushrooms. All algorithms successfully detected switches from transient to stable phase. The most accurate results were provided by the previously proposed multivariate max-CUSUM algorithm and the matrix form CUSUM algorithm, which is developed in this paper.

Original language	English
Article number	100151
Journal	Array
Volume	14
DOIs	https://doi.org/10.1016/j.array.2022.100151
Publication status	Published - Jul 2022
Publication type	A1 Journal article-refereed

Keywords

Algorithms
Change detection
Ion mobility spectrometry

Publication forum classification

Publication forum level 1

ASJC Scopus subject areas

General Computer Science

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1-s2.0-S2590005622000182-mainFinal published version, 1.64 MBLicence: CC BY

https://urn.fi/URN:NBN:fi:tuni-202206205742Licence: CC BY

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title = "A comparison of online methods for change point detection in ion-mobility spectrometry data",

abstract = "When on-site classification of volatile organic compounds (VOCs) is required, a portable ion mobility spectrometer (IMS) is a suitable choice. However, the IMS readings often show transient phases before they stabilize. Even so the importance of transient phase and features extracted from it has been highlighted in the literature, it has not, to our knowledge, been used for IMS-based classification so far. This paper analyzes whether change point detection algorithms with low computational complexity can separate transient and stable phases in IMS readings. The algorithms were tested on IMS data from different types of mushrooms. All algorithms successfully detected switches from transient to stable phase. The most accurate results were provided by the previously proposed multivariate max-CUSUM algorithm and the matrix form CUSUM algorithm, which is developed in this paper.",

keywords = "Algorithms, Change detection, Ion mobility spectrometry",

author = "Anton Rauhameri and Katri Salminen and Jussi Rantala and Timo Salpavaara and Jarmo Verho and Veikko Surakka and Jukka Lekkala and Antti Vehkaoja and Philipp M{\"u}ller",

note = "Funding Information: This work was supported by Academy of Finland under grants: 323498 , 295432 , 295433 , 323529 , 323530 and 295434 . The authors thank Dr. Simo Ali-L{\"o}ytty for the discussion on the Matrix Form CUSUM algorithm. Publisher Copyright: {\textcopyright} 2022 The Author(s)",

year = "2022",

month = jul,

doi = "10.1016/j.array.2022.100151",

language = "English",

volume = "14",

journal = "Array",

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TY - JOUR

T1 - A comparison of online methods for change point detection in ion-mobility spectrometry data

AU - Rauhameri, Anton

AU - Salminen, Katri

AU - Rantala, Jussi

AU - Salpavaara, Timo

AU - Verho, Jarmo

AU - Surakka, Veikko

AU - Lekkala, Jukka

AU - Vehkaoja, Antti

AU - Müller, Philipp

N1 - Funding Information: This work was supported by Academy of Finland under grants: 323498 , 295432 , 295433 , 323529 , 323530 and 295434 . The authors thank Dr. Simo Ali-Löytty for the discussion on the Matrix Form CUSUM algorithm. Publisher Copyright: © 2022 The Author(s)

PY - 2022/7

Y1 - 2022/7

N2 - When on-site classification of volatile organic compounds (VOCs) is required, a portable ion mobility spectrometer (IMS) is a suitable choice. However, the IMS readings often show transient phases before they stabilize. Even so the importance of transient phase and features extracted from it has been highlighted in the literature, it has not, to our knowledge, been used for IMS-based classification so far. This paper analyzes whether change point detection algorithms with low computational complexity can separate transient and stable phases in IMS readings. The algorithms were tested on IMS data from different types of mushrooms. All algorithms successfully detected switches from transient to stable phase. The most accurate results were provided by the previously proposed multivariate max-CUSUM algorithm and the matrix form CUSUM algorithm, which is developed in this paper.

AB - When on-site classification of volatile organic compounds (VOCs) is required, a portable ion mobility spectrometer (IMS) is a suitable choice. However, the IMS readings often show transient phases before they stabilize. Even so the importance of transient phase and features extracted from it has been highlighted in the literature, it has not, to our knowledge, been used for IMS-based classification so far. This paper analyzes whether change point detection algorithms with low computational complexity can separate transient and stable phases in IMS readings. The algorithms were tested on IMS data from different types of mushrooms. All algorithms successfully detected switches from transient to stable phase. The most accurate results were provided by the previously proposed multivariate max-CUSUM algorithm and the matrix form CUSUM algorithm, which is developed in this paper.

KW - Algorithms

KW - Change detection

KW - Ion mobility spectrometry

U2 - 10.1016/j.array.2022.100151

DO - 10.1016/j.array.2022.100151

M3 - Article

AN - SCOPUS:85129469561

SN - 2590-0056

VL - 14

JO - Array

JF - Array

M1 - 100151

ER -

A comparison of online methods for change point detection in ion-mobility spectrometry data

Abstract

Keywords

Publication forum classification

ASJC Scopus subject areas

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