Rights statement: © The Royal Society of Chemistry 2017
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Final published version
Research output: Contribution to Journal/Magazine › Journal article › peer-review
Research output: Contribution to Journal/Magazine › Journal article › peer-review
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TY - JOUR
T1 - Deep convolutional neural networks for Raman spectrum recognition
T2 - a unified solution
AU - Liu, Jinchao
AU - Osadchy, Margarita
AU - Ashton, Lorna
AU - Foster, Michael
AU - Solomon, Christopher J.
AU - Gibson, Stuart J.
N1 - © The Royal Society of Chemistry 2017
PY - 2017/11/7
Y1 - 2017/11/7
N2 - Machine learning methods have found many applications in Raman spectroscopy, especially for the identification of chemical species. However, almost all of these methods require non-trivial preprocessing such as baseline correction and/or PCA as an essential step. Here we describe our unified solution for the identification of chemical species in which a convolutional neural network is trained to automatically identify substances according to their Raman spectrum without the need for preprocessing. We evaluated our approach using the RRUFF spectral database, comprising mineral sample data. Superior classification performance is demonstrated compared with other frequently used machine learning algorithms including the popular support vector machine method.
AB - Machine learning methods have found many applications in Raman spectroscopy, especially for the identification of chemical species. However, almost all of these methods require non-trivial preprocessing such as baseline correction and/or PCA as an essential step. Here we describe our unified solution for the identification of chemical species in which a convolutional neural network is trained to automatically identify substances according to their Raman spectrum without the need for preprocessing. We evaluated our approach using the RRUFF spectral database, comprising mineral sample data. Superior classification performance is demonstrated compared with other frequently used machine learning algorithms including the popular support vector machine method.
U2 - 10.1039/C7AN01371J
DO - 10.1039/C7AN01371J
M3 - Journal article
VL - 142
JO - Analyst
JF - Analyst
SN - 0003-2654
IS - 21
M1 - 4067
ER -