Interpreting convolutional neural network classifiers applied to laser-induced breakdown optical emission spectra
Laser-induced breakdown spectroscopy (LIBS) is a well-established industrial tool with emerging relevance in high-stakes applications. To achieve its required analytical performance, LIBS is often coupled with advanced pattern-recognition algorithms, including machine learning models. Namely, artifi...
Ausführliche Beschreibung
Gespeichert in:
| Autor*in: |
Képeš, Erik [verfasserIn] Vrábel, Jakub [verfasserIn] Brázdil, Tomáš [verfasserIn] Holub, Petr [verfasserIn] Pořízka, Pavel [verfasserIn] Kaiser, Jozef [verfasserIn] |
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| Format: |
E-Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
2023 |
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| Schlagwörter: |
Laser-induced breakdown spectroscopy |
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| Übergeordnetes Werk: |
Enthalten in: Talanta - Amsterdam [u.a.] : Elsevier Science, 1958, 266 |
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| Übergeordnetes Werk: |
volume:266 |
| DOI / URN: |
10.1016/j.talanta.2023.124946 |
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| Katalog-ID: |
ELV064019810 |
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| 245 | 1 | 0 | |a Interpreting convolutional neural network classifiers applied to laser-induced breakdown optical emission spectra |
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| 520 | |a Laser-induced breakdown spectroscopy (LIBS) is a well-established industrial tool with emerging relevance in high-stakes applications. To achieve its required analytical performance, LIBS is often coupled with advanced pattern-recognition algorithms, including machine learning models. Namely, artificial neural networks (ANNs) have recently become a frequently applied part of LIBS practitioners’ toolkit. Nevertheless, ANNs are generally applied in spectroscopy as black-box models, without a real insight into their predictions. Here, we apply various post-hoc interpretation techniques with the aim of understanding the decision-making of convolutional neural networks. Namely, we find synthetic spectra that yield perfect expected classification predictions and denote these spectra class-specific prototype spectra. We investigate the simplest possible convolutional neural network (consisting of a single convolutional and fully connected layers) trained to classify the extended calibration dataset collected for the ChemCam laser-induced breakdown spectroscopy instrument of the Curiosity Mars rover. The trained convolutional neural network predominantly learned meaningful spectroscopic features which correspond to the elements comprising the major oxides found in the calibration targets. In addition, the discrete convolution operation with the learnt filters results in a crude baseline correction. | ||
| 650 | 4 | |a Laser-induced breakdown spectroscopy | |
| 650 | 4 | |a Classification | |
| 650 | 4 | |a Interpretable machine learning | |
| 650 | 4 | |a Convolutional neural networks | |
| 650 | 4 | |a ChemCam calibration dataset | |
| 700 | 1 | |a Vrábel, Jakub |e verfasserin |4 aut | |
| 700 | 1 | |a Brázdil, Tomáš |e verfasserin |4 aut | |
| 700 | 1 | |a Holub, Petr |e verfasserin |4 aut | |
| 700 | 1 | |a Pořízka, Pavel |e verfasserin |4 aut | |
| 700 | 1 | |a Kaiser, Jozef |e verfasserin |0 (orcid)0000-0002-7397-125X |4 aut | |
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10.1016/j.talanta.2023.124946 doi (DE-627)ELV064019810 (ELSEVIER)S0039-9140(23)00697-5 DE-627 ger DE-627 rda eng 540 VZ 35.00 bkl Képeš, Erik verfasserin (orcid)0000-0002-7086-2613 aut Interpreting convolutional neural network classifiers applied to laser-induced breakdown optical emission spectra 2023 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Laser-induced breakdown spectroscopy (LIBS) is a well-established industrial tool with emerging relevance in high-stakes applications. To achieve its required analytical performance, LIBS is often coupled with advanced pattern-recognition algorithms, including machine learning models. Namely, artificial neural networks (ANNs) have recently become a frequently applied part of LIBS practitioners’ toolkit. Nevertheless, ANNs are generally applied in spectroscopy as black-box models, without a real insight into their predictions. Here, we apply various post-hoc interpretation techniques with the aim of understanding the decision-making of convolutional neural networks. Namely, we find synthetic spectra that yield perfect expected classification predictions and denote these spectra class-specific prototype spectra. We investigate the simplest possible convolutional neural network (consisting of a single convolutional and fully connected layers) trained to classify the extended calibration dataset collected for the ChemCam laser-induced breakdown spectroscopy instrument of the Curiosity Mars rover. The trained convolutional neural network predominantly learned meaningful spectroscopic features which correspond to the elements comprising the major oxides found in the calibration targets. In addition, the discrete convolution operation with the learnt filters results in a crude baseline correction. Laser-induced breakdown spectroscopy Classification Interpretable machine learning Convolutional neural networks ChemCam calibration dataset Vrábel, Jakub verfasserin aut Brázdil, Tomáš verfasserin aut Holub, Petr verfasserin aut Pořízka, Pavel verfasserin aut Kaiser, Jozef verfasserin (orcid)0000-0002-7397-125X aut Enthalten in Talanta Amsterdam [u.a.] : Elsevier Science, 1958 266 Online-Ressource (DE-627)306712571 (DE-600)1500969-5 (DE-576)251938158 1873-3573 nnns volume:266 GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2088 GBV_ILN_2106 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4242 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 35.00 Chemie: Allgemeines VZ AR 266 |
| spelling |
10.1016/j.talanta.2023.124946 doi (DE-627)ELV064019810 (ELSEVIER)S0039-9140(23)00697-5 DE-627 ger DE-627 rda eng 540 VZ 35.00 bkl Képeš, Erik verfasserin (orcid)0000-0002-7086-2613 aut Interpreting convolutional neural network classifiers applied to laser-induced breakdown optical emission spectra 2023 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Laser-induced breakdown spectroscopy (LIBS) is a well-established industrial tool with emerging relevance in high-stakes applications. To achieve its required analytical performance, LIBS is often coupled with advanced pattern-recognition algorithms, including machine learning models. Namely, artificial neural networks (ANNs) have recently become a frequently applied part of LIBS practitioners’ toolkit. Nevertheless, ANNs are generally applied in spectroscopy as black-box models, without a real insight into their predictions. Here, we apply various post-hoc interpretation techniques with the aim of understanding the decision-making of convolutional neural networks. Namely, we find synthetic spectra that yield perfect expected classification predictions and denote these spectra class-specific prototype spectra. We investigate the simplest possible convolutional neural network (consisting of a single convolutional and fully connected layers) trained to classify the extended calibration dataset collected for the ChemCam laser-induced breakdown spectroscopy instrument of the Curiosity Mars rover. The trained convolutional neural network predominantly learned meaningful spectroscopic features which correspond to the elements comprising the major oxides found in the calibration targets. In addition, the discrete convolution operation with the learnt filters results in a crude baseline correction. Laser-induced breakdown spectroscopy Classification Interpretable machine learning Convolutional neural networks ChemCam calibration dataset Vrábel, Jakub verfasserin aut Brázdil, Tomáš verfasserin aut Holub, Petr verfasserin aut Pořízka, Pavel verfasserin aut Kaiser, Jozef verfasserin (orcid)0000-0002-7397-125X aut Enthalten in Talanta Amsterdam [u.a.] : Elsevier Science, 1958 266 Online-Ressource (DE-627)306712571 (DE-600)1500969-5 (DE-576)251938158 1873-3573 nnns volume:266 GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2088 GBV_ILN_2106 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4242 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 35.00 Chemie: Allgemeines VZ AR 266 |
| allfields_unstemmed |
10.1016/j.talanta.2023.124946 doi (DE-627)ELV064019810 (ELSEVIER)S0039-9140(23)00697-5 DE-627 ger DE-627 rda eng 540 VZ 35.00 bkl Képeš, Erik verfasserin (orcid)0000-0002-7086-2613 aut Interpreting convolutional neural network classifiers applied to laser-induced breakdown optical emission spectra 2023 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Laser-induced breakdown spectroscopy (LIBS) is a well-established industrial tool with emerging relevance in high-stakes applications. To achieve its required analytical performance, LIBS is often coupled with advanced pattern-recognition algorithms, including machine learning models. Namely, artificial neural networks (ANNs) have recently become a frequently applied part of LIBS practitioners’ toolkit. Nevertheless, ANNs are generally applied in spectroscopy as black-box models, without a real insight into their predictions. Here, we apply various post-hoc interpretation techniques with the aim of understanding the decision-making of convolutional neural networks. Namely, we find synthetic spectra that yield perfect expected classification predictions and denote these spectra class-specific prototype spectra. We investigate the simplest possible convolutional neural network (consisting of a single convolutional and fully connected layers) trained to classify the extended calibration dataset collected for the ChemCam laser-induced breakdown spectroscopy instrument of the Curiosity Mars rover. The trained convolutional neural network predominantly learned meaningful spectroscopic features which correspond to the elements comprising the major oxides found in the calibration targets. In addition, the discrete convolution operation with the learnt filters results in a crude baseline correction. Laser-induced breakdown spectroscopy Classification Interpretable machine learning Convolutional neural networks ChemCam calibration dataset Vrábel, Jakub verfasserin aut Brázdil, Tomáš verfasserin aut Holub, Petr verfasserin aut Pořízka, Pavel verfasserin aut Kaiser, Jozef verfasserin (orcid)0000-0002-7397-125X aut Enthalten in Talanta Amsterdam [u.a.] : Elsevier Science, 1958 266 Online-Ressource (DE-627)306712571 (DE-600)1500969-5 (DE-576)251938158 1873-3573 nnns volume:266 GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2088 GBV_ILN_2106 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4242 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 35.00 Chemie: Allgemeines VZ AR 266 |
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10.1016/j.talanta.2023.124946 doi (DE-627)ELV064019810 (ELSEVIER)S0039-9140(23)00697-5 DE-627 ger DE-627 rda eng 540 VZ 35.00 bkl Képeš, Erik verfasserin (orcid)0000-0002-7086-2613 aut Interpreting convolutional neural network classifiers applied to laser-induced breakdown optical emission spectra 2023 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Laser-induced breakdown spectroscopy (LIBS) is a well-established industrial tool with emerging relevance in high-stakes applications. To achieve its required analytical performance, LIBS is often coupled with advanced pattern-recognition algorithms, including machine learning models. Namely, artificial neural networks (ANNs) have recently become a frequently applied part of LIBS practitioners’ toolkit. Nevertheless, ANNs are generally applied in spectroscopy as black-box models, without a real insight into their predictions. Here, we apply various post-hoc interpretation techniques with the aim of understanding the decision-making of convolutional neural networks. Namely, we find synthetic spectra that yield perfect expected classification predictions and denote these spectra class-specific prototype spectra. We investigate the simplest possible convolutional neural network (consisting of a single convolutional and fully connected layers) trained to classify the extended calibration dataset collected for the ChemCam laser-induced breakdown spectroscopy instrument of the Curiosity Mars rover. The trained convolutional neural network predominantly learned meaningful spectroscopic features which correspond to the elements comprising the major oxides found in the calibration targets. In addition, the discrete convolution operation with the learnt filters results in a crude baseline correction. Laser-induced breakdown spectroscopy Classification Interpretable machine learning Convolutional neural networks ChemCam calibration dataset Vrábel, Jakub verfasserin aut Brázdil, Tomáš verfasserin aut Holub, Petr verfasserin aut Pořízka, Pavel verfasserin aut Kaiser, Jozef verfasserin (orcid)0000-0002-7397-125X aut Enthalten in Talanta Amsterdam [u.a.] : Elsevier Science, 1958 266 Online-Ressource (DE-627)306712571 (DE-600)1500969-5 (DE-576)251938158 1873-3573 nnns volume:266 GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2088 GBV_ILN_2106 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4242 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 35.00 Chemie: Allgemeines VZ AR 266 |
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10.1016/j.talanta.2023.124946 doi (DE-627)ELV064019810 (ELSEVIER)S0039-9140(23)00697-5 DE-627 ger DE-627 rda eng 540 VZ 35.00 bkl Képeš, Erik verfasserin (orcid)0000-0002-7086-2613 aut Interpreting convolutional neural network classifiers applied to laser-induced breakdown optical emission spectra 2023 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Laser-induced breakdown spectroscopy (LIBS) is a well-established industrial tool with emerging relevance in high-stakes applications. To achieve its required analytical performance, LIBS is often coupled with advanced pattern-recognition algorithms, including machine learning models. Namely, artificial neural networks (ANNs) have recently become a frequently applied part of LIBS practitioners’ toolkit. Nevertheless, ANNs are generally applied in spectroscopy as black-box models, without a real insight into their predictions. Here, we apply various post-hoc interpretation techniques with the aim of understanding the decision-making of convolutional neural networks. Namely, we find synthetic spectra that yield perfect expected classification predictions and denote these spectra class-specific prototype spectra. We investigate the simplest possible convolutional neural network (consisting of a single convolutional and fully connected layers) trained to classify the extended calibration dataset collected for the ChemCam laser-induced breakdown spectroscopy instrument of the Curiosity Mars rover. The trained convolutional neural network predominantly learned meaningful spectroscopic features which correspond to the elements comprising the major oxides found in the calibration targets. In addition, the discrete convolution operation with the learnt filters results in a crude baseline correction. Laser-induced breakdown spectroscopy Classification Interpretable machine learning Convolutional neural networks ChemCam calibration dataset Vrábel, Jakub verfasserin aut Brázdil, Tomáš verfasserin aut Holub, Petr verfasserin aut Pořízka, Pavel verfasserin aut Kaiser, Jozef verfasserin (orcid)0000-0002-7397-125X aut Enthalten in Talanta Amsterdam [u.a.] : Elsevier Science, 1958 266 Online-Ressource (DE-627)306712571 (DE-600)1500969-5 (DE-576)251938158 1873-3573 nnns volume:266 GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2088 GBV_ILN_2106 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4242 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 35.00 Chemie: Allgemeines VZ AR 266 |
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Képeš, Erik @@aut@@ Vrábel, Jakub @@aut@@ Brázdil, Tomáš @@aut@@ Holub, Petr @@aut@@ Pořízka, Pavel @@aut@@ Kaiser, Jozef @@aut@@ |
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540 VZ 35.00 bkl Interpreting convolutional neural network classifiers applied to laser-induced breakdown optical emission spectra Laser-induced breakdown spectroscopy Classification Interpretable machine learning Convolutional neural networks ChemCam calibration dataset |
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interpreting convolutional neural network classifiers applied to laser-induced breakdown optical emission spectra |
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Interpreting convolutional neural network classifiers applied to laser-induced breakdown optical emission spectra |
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Laser-induced breakdown spectroscopy (LIBS) is a well-established industrial tool with emerging relevance in high-stakes applications. To achieve its required analytical performance, LIBS is often coupled with advanced pattern-recognition algorithms, including machine learning models. Namely, artificial neural networks (ANNs) have recently become a frequently applied part of LIBS practitioners’ toolkit. Nevertheless, ANNs are generally applied in spectroscopy as black-box models, without a real insight into their predictions. Here, we apply various post-hoc interpretation techniques with the aim of understanding the decision-making of convolutional neural networks. Namely, we find synthetic spectra that yield perfect expected classification predictions and denote these spectra class-specific prototype spectra. We investigate the simplest possible convolutional neural network (consisting of a single convolutional and fully connected layers) trained to classify the extended calibration dataset collected for the ChemCam laser-induced breakdown spectroscopy instrument of the Curiosity Mars rover. The trained convolutional neural network predominantly learned meaningful spectroscopic features which correspond to the elements comprising the major oxides found in the calibration targets. In addition, the discrete convolution operation with the learnt filters results in a crude baseline correction. |
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Laser-induced breakdown spectroscopy (LIBS) is a well-established industrial tool with emerging relevance in high-stakes applications. To achieve its required analytical performance, LIBS is often coupled with advanced pattern-recognition algorithms, including machine learning models. Namely, artificial neural networks (ANNs) have recently become a frequently applied part of LIBS practitioners’ toolkit. Nevertheless, ANNs are generally applied in spectroscopy as black-box models, without a real insight into their predictions. Here, we apply various post-hoc interpretation techniques with the aim of understanding the decision-making of convolutional neural networks. Namely, we find synthetic spectra that yield perfect expected classification predictions and denote these spectra class-specific prototype spectra. We investigate the simplest possible convolutional neural network (consisting of a single convolutional and fully connected layers) trained to classify the extended calibration dataset collected for the ChemCam laser-induced breakdown spectroscopy instrument of the Curiosity Mars rover. The trained convolutional neural network predominantly learned meaningful spectroscopic features which correspond to the elements comprising the major oxides found in the calibration targets. In addition, the discrete convolution operation with the learnt filters results in a crude baseline correction. |
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Laser-induced breakdown spectroscopy (LIBS) is a well-established industrial tool with emerging relevance in high-stakes applications. To achieve its required analytical performance, LIBS is often coupled with advanced pattern-recognition algorithms, including machine learning models. Namely, artificial neural networks (ANNs) have recently become a frequently applied part of LIBS practitioners’ toolkit. Nevertheless, ANNs are generally applied in spectroscopy as black-box models, without a real insight into their predictions. Here, we apply various post-hoc interpretation techniques with the aim of understanding the decision-making of convolutional neural networks. Namely, we find synthetic spectra that yield perfect expected classification predictions and denote these spectra class-specific prototype spectra. We investigate the simplest possible convolutional neural network (consisting of a single convolutional and fully connected layers) trained to classify the extended calibration dataset collected for the ChemCam laser-induced breakdown spectroscopy instrument of the Curiosity Mars rover. The trained convolutional neural network predominantly learned meaningful spectroscopic features which correspond to the elements comprising the major oxides found in the calibration targets. In addition, the discrete convolution operation with the learnt filters results in a crude baseline correction. |
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|
| score |
7.401636 |