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<article article-type="research-article" dtd-version="1.3" xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xml:lang="ru"><front><journal-meta><journal-id journal-id-type="publisher-id">zhps</journal-id><journal-title-group><journal-title xml:lang="ru">Журнал прикладной спектроскопии</journal-title><trans-title-group xml:lang="en"><trans-title>Zhurnal Prikladnoii Spektroskopii</trans-title></trans-title-group></journal-title-group><issn pub-type="ppub">0514-7506</issn><publisher><publisher-name>B. I. Stepanov Institute of Physics of the National Academy of Sciences</publisher-name></publisher></journal-meta><article-meta><article-id pub-id-type="doi">10.47612/0514-7506-2022-89-2-198-203</article-id><article-id custom-type="elpub" pub-id-type="custom">zhps-1002</article-id><article-categories><subj-group subj-group-type="heading"><subject>Research Article</subject></subj-group><subj-group subj-group-type="section-heading" xml:lang="ru"><subject>Статьи</subject></subj-group></article-categories><title-group><article-title>Классификация шоколада на основе анализа методом главных компонент предобработанных спектров пропускания терагерцового диапазона</article-title><trans-title-group xml:lang="en"><trans-title>Chocolate Sample Classification by Principal Component Analysis of Preprocessed Terahertz Transmission Spectra</trans-title></trans-title-group></title-group><contrib-group><contrib contrib-type="author" corresp="yes"><name-alternatives><name name-style="eastern" xml:lang="ru"><surname>Ходасевич</surname><given-names>М. А.</given-names></name><name name-style="western" xml:lang="en"><surname>Khodasevich</surname><given-names>M. A.</given-names></name></name-alternatives><bio xml:lang="ru"><p>Минск</p></bio><bio xml:lang="en"><p>Minsk</p></bio><email xlink:type="simple">m.khodasevich@ifanbel.bas-net.by</email><xref ref-type="aff" rid="aff-1"/></contrib><contrib contrib-type="author" corresp="yes"><name-alternatives><name name-style="eastern" xml:lang="ru"><surname>Ляхнович</surname><given-names>А. В.</given-names></name><name name-style="western" xml:lang="en"><surname>Lyakhnovich</surname><given-names>A. V.</given-names></name></name-alternatives><bio xml:lang="ru"><p>Минск</p></bio><bio xml:lang="en"><p>Minsk</p></bio><xref ref-type="aff" rid="aff-1"/></contrib><contrib contrib-type="author" corresp="yes"><name-alternatives><name name-style="eastern" xml:lang="ru"><surname>Eriklioğlu</surname><given-names>Н.</given-names></name><name name-style="western" xml:lang="en"><surname>Eriklioğlu</surname><given-names>H.</given-names></name></name-alternatives><bio xml:lang="ru"><p>Анкара</p></bio><bio xml:lang="en"><p>Ankara</p></bio><xref ref-type="aff" rid="aff-2"/></contrib></contrib-group><aff-alternatives id="aff-1"><aff xml:lang="ru"><institution>Институт физики НАН Беларуси</institution></aff><aff xml:lang="en"><institution>B. I. Stepanov Institute of Physics of the National Academy of Sciences of Belarus</institution></aff></aff-alternatives><aff-alternatives id="aff-2"><aff xml:lang="ru"><institution>Ближневосточный технический университет</institution></aff><aff xml:lang="en"><institution>Middle East Technical University</institution></aff></aff-alternatives><pub-date pub-type="collection"><year>2022</year></pub-date><pub-date pub-type="epub"><day>22</day><month>03</month><year>2022</year></pub-date><volume>89</volume><issue>2</issue><fpage>198</fpage><lpage>203</lpage><permissions><copyright-statement>Copyright &amp;#x00A9; Ходасевич М.А., Ляхнович А.В., Eriklioğlu Н., 2022</copyright-statement><copyright-year>2022</copyright-year><copyright-holder xml:lang="ru">Ходасевич М.А., Ляхнович А.В., Eriklioğlu Н.</copyright-holder><copyright-holder xml:lang="en">Khodasevich M.A., Lyakhnovich A.V., Eriklioğlu H.</copyright-holder><license xml:lang="ru" license-type="creative-commons-attribution" xlink:href="https://creativecommons.org/licenses/by/4.0/" xlink:type="simple"><license-p>Данная работа распространяется под лицензией Creative Commons Attribution 4.0.</license-p></license><license xml:lang="en" license-type="creative-commons-attribution" xlink:href="https://creativecommons.org/licenses/by/4.0/" xlink:type="simple"><license-p>This work is licensed under a Creative Commons Attribution 4.0 License.</license-p></license></permissions><self-uri xlink:href="https://zhps.ejournal.by/jour/article/view/1002">https://zhps.ejournal.by/jour/article/view/1002</self-uri><abstract><p>Продемонстрирована эффективность классификации образцов шоколада по типу и производителю методом “спектрального отпечатка” с использованием спектров пропускания в терагерцовом частотном диапазоне. С целью устранения негативного влияния шума и эффекта Фабри—Перо методом адаптивных итеративно взвешенных наименьших квадратов со штрафом по спектрам определены их базовые линии. Классификация проведена путем построения маломерного пространства главных компонент базовых линий и применения методов кластерного анализа в этом пространстве. Точность и полнота классификации образцов шоколада методами k-среднего, построения классификационного дерева и иерархического кластерного анализа составили 0.85 и 0.83, 0.91 и 0.90, 0.94 и 0.93 соответственно. Для случаев, когда проведение попарной классификации наиболее проблематично, успешно применен метод опорных векторов.</p></abstract><trans-abstract xml:lang="en"><p>We demonstrate the efficiency of the chocolate sample classification by type and manufacturer using the “spectral print” method using THz transmission spectra. To suppress the noise and the Fabry–Perot effect, spectra baselines are determined using the adaptive iteratively reweighted penalized least squares (airPLS) method. The classification was carried out by constructing a low-dimensional space of the principal components of the baselines and applying the methods of cluster analysis in this space. The precision and recall values of the classification of chocolate samples by the k-means, classification and regression tree and hierarchical cluster analysis are 0.85 and 0.83, 0.91 and 0.90, 0.94 and 0.93, respectively. The support vector machine is successfully applied to consider two cases where pairwise classification is most problematic.</p></trans-abstract><kwd-group xml:lang="ru"><kwd>терагерцовая спектроскопия во временной области</kwd><kwd>метод главных компонент</kwd><kwd>базовая линия</kwd><kwd>кластерный анализ</kwd><kwd>метод опорных векторов</kwd></kwd-group><kwd-group xml:lang="en"><kwd>terahertz time-domain spectroscopy</kwd><kwd>principal component analysis</kwd><kwd>baseline</kwd><kwd>cluster analysis</kwd><kwd>support vector machine</kwd></kwd-group><funding-group><funding-statement xml:lang="ru">Работа выполнена при частичной финансовой поддержке в рамках исследовательской и инновационной программы Европейского Союза Horizon 2020 (грант № 101008228).</funding-statement></funding-group></article-meta></front><back><ref-list><title>References</title><ref id="cit1"><label>1</label><citation-alternatives><mixed-citation xml:lang="ru">C. McVey, C. T. Elliott, A. Cannavan, S. D. Kelly, A. Petchkongkaew, S. A. Haughey. Trends Food Sci. Technol. B, 118 (2021) 777—790</mixed-citation><mixed-citation xml:lang="en">C. McVey, C. T. Elliott, A. Cannavan, S. D. Kelly, A. Petchkongkaew, S. A. Haughey. Trends Food Sci. Technol. B, 118 (2021) 777—790</mixed-citation></citation-alternatives></ref><ref id="cit2"><label>2</label><citation-alternatives><mixed-citation xml:lang="ru">A. Arroyo-Cerezo, A. M. Jimenez-Carvelo, A. González-Casado, A. Koidis, L. Cuadros-Rodríguez. LWT – Food Sci. Technol., 149 (2021) 111822(1—8)</mixed-citation><mixed-citation xml:lang="en">A. Arroyo-Cerezo, A. M. Jimenez-Carvelo, A. González-Casado, A. Koidis, L. Cuadros-Rodríguez. LWT – Food Sci. Technol., 149 (2021) 111822(1—8)</mixed-citation></citation-alternatives></ref><ref id="cit3"><label>3</label><citation-alternatives><mixed-citation xml:lang="ru">H. N. Moghaddam, Z. Tamiji, M. A. Lakeh, M. R. Khoshayand, M. H. Mahmoodi. J. Food Comp. Anal., 107 (2022) 104343</mixed-citation><mixed-citation xml:lang="en">H. N. Moghaddam, Z. Tamiji, M. A. Lakeh, M. R. Khoshayand, M. H. Mahmoodi. J. Food Comp. Anal., 107 (2022) 104343</mixed-citation></citation-alternatives></ref><ref id="cit4"><label>4</label><citation-alternatives><mixed-citation xml:lang="ru">X. Sun, D. Cui, Y. Shen, W. Li, J. Wang. Infrared Phys. Technol., 121 (2022) 104018</mixed-citation><mixed-citation xml:lang="en">X. Sun, D. Cui, Y. Shen, W. Li, J. Wang. Infrared Phys. Technol., 121 (2022) 104018</mixed-citation></citation-alternatives></ref><ref id="cit5"><label>5</label><citation-alternatives><mixed-citation xml:lang="ru">I. Magnus, M. Virte, H. Thienpont, L. Smeesters. Food Control, 130 (2021) 108342(1—10)</mixed-citation><mixed-citation xml:lang="en">I. Magnus, M. Virte, H. Thienpont, L. Smeesters. Food Control, 130 (2021) 108342(1—10)</mixed-citation></citation-alternatives></ref><ref id="cit6"><label>6</label><citation-alternatives><mixed-citation xml:lang="ru">А. М. Гончаренко, Г. В. Синицын, А. В. Ляхнович, В. Л. Малевич. Сб. науч. тр., IV Конгресс физиков Беларуси, 24—26 апреля, Минск (2013) 82—83</mixed-citation><mixed-citation xml:lang="en">А. М. Гончаренко, Г. В. Синицын, А. В. Ляхнович, В. Л. Малевич. Сб. науч. тр., IV Конгресс физиков Беларуси, 24—26 апреля, Минск (2013) 82—83</mixed-citation></citation-alternatives></ref><ref id="cit7"><label>7</label><citation-alternatives><mixed-citation xml:lang="ru">R. Fastampa, L. Pilozzi, M. Missori. Phys. Rev. A, 95 (2017) 063831(1—6)</mixed-citation><mixed-citation xml:lang="en">R. Fastampa, L. Pilozzi, M. Missori. Phys. Rev. A, 95 (2017) 063831(1—6)</mixed-citation></citation-alternatives></ref><ref id="cit8"><label>8</label><citation-alternatives><mixed-citation xml:lang="ru">J. Oblitas, J. Ruiz. Proceedings, 70, N 1 (2021) 109(1—6), doi: 10.3390/foods_2020-08029</mixed-citation><mixed-citation xml:lang="en">J. Oblitas, J. Ruiz. Proceedings, 70, N 1 (2021) 109(1—6), doi: 10.3390/foods_2020-08029</mixed-citation></citation-alternatives></ref><ref id="cit9"><label>9</label><citation-alternatives><mixed-citation xml:lang="ru">S. Weiller, T. Tanabe, Y. Oyama. World J. Eng. Technol., 6 (2018) 268—274</mixed-citation><mixed-citation xml:lang="en">S. Weiller, T. Tanabe, Y. Oyama. World J. Eng. Technol., 6 (2018) 268—274</mixed-citation></citation-alternatives></ref><ref id="cit10"><label>10</label><citation-alternatives><mixed-citation xml:lang="ru">R. Ríos-Reina, J. M. Camiña, R. M. Callejón, S. M. Azcarate. Trends Anal. Chem., 134 (2021) 116121(1—21)</mixed-citation><mixed-citation xml:lang="en">R. Ríos-Reina, J. M. Camiña, R. M. Callejón, S. M. Azcarate. Trends Anal. Chem., 134 (2021) 116121(1—21)</mixed-citation></citation-alternatives></ref><ref id="cit11"><label>11</label><citation-alternatives><mixed-citation xml:lang="ru">K. H. Esbensen, P. Geladi. In: Comprehensive Chemometrics, Eds. S. Brown, R. Tauler, B. Walczak, Elsevier (2009) 211—226</mixed-citation><mixed-citation xml:lang="en">K. H. Esbensen, P. Geladi. In: Comprehensive Chemometrics, Eds. S. Brown, R. Tauler, B. Walczak, Elsevier (2009) 211—226</mixed-citation></citation-alternatives></ref><ref id="cit12"><label>12</label><citation-alternatives><mixed-citation xml:lang="ru">Z. M. Zhang, S. Chen, Y. Z. Liang. Analyst, 135, N 5 (2010) 1138—1146</mixed-citation><mixed-citation xml:lang="en">Z. M. Zhang, S. Chen, Y. Z. Liang. Analyst, 135, N 5 (2010) 1138—1146</mixed-citation></citation-alternatives></ref><ref id="cit13"><label>13</label><citation-alternatives><mixed-citation xml:lang="ru">P. Govender, V. Sivakumar. Atm. Poll. Res., 11 (2020) 40—56</mixed-citation><mixed-citation xml:lang="en">P. Govender, V. Sivakumar. Atm. Poll. Res., 11 (2020) 40—56</mixed-citation></citation-alternatives></ref><ref id="cit14"><label>14</label><citation-alternatives><mixed-citation xml:lang="ru">J. Huang, J. Liu, K. Wang, Z. Yang, X. Liu. Spectrochim. Acta A: Mol. Biomol. Spectrosc., 198 (2018) 198—203</mixed-citation><mixed-citation xml:lang="en">J. Huang, J. Liu, K. Wang, Z. Yang, X. Liu. Spectrochim. Acta A: Mol. Biomol. Spectrosc., 198 (2018) 198—203</mixed-citation></citation-alternatives></ref><ref id="cit15"><label>15</label><citation-alternatives><mixed-citation xml:lang="ru">K. Herberger. In: Medical Applications of Mass Spectrometry, Eds. K. Vékey, A. Telekes, A. Vertes, Elsevier (2008) 141—169</mixed-citation><mixed-citation xml:lang="en">K. Herberger. In: Medical Applications of Mass Spectrometry, Eds. K. Vékey, A. Telekes, A. Vertes, Elsevier (2008) 141—169</mixed-citation></citation-alternatives></ref><ref id="cit16"><label>16</label><citation-alternatives><mixed-citation xml:lang="ru">T. W. Liao. Pattern Recognition, 38 (2005) 1857—1874</mixed-citation><mixed-citation xml:lang="en">T. W. Liao. Pattern Recognition, 38 (2005) 1857—1874</mixed-citation></citation-alternatives></ref><ref id="cit17"><label>17</label><citation-alternatives><mixed-citation xml:lang="ru">Y. Xu, S. Zomer, R. G. Brereton. Critical Rev. Anal. Chem., 36 (2006) 177—188</mixed-citation><mixed-citation xml:lang="en">Y. Xu, S. Zomer, R. G. Brereton. Critical Rev. Anal. Chem., 36 (2006) 177—188</mixed-citation></citation-alternatives></ref></ref-list><fn-group><fn fn-type="conflict"><p>The authors declare that there are no conflicts of interest present.</p></fn></fn-group></back></article>
