{"title":"利用反射几何中太赫兹时域光谱的一维卷积神经网络技术对二次炸药进行分类。","authors":"Naveen Periketi, Anil Kumar Chaudhary","doi":"10.1016/j.saa.2025.126924","DOIUrl":null,"url":null,"abstract":"<div><div>Terahertz time-domain spectroscopy (THz-TDS) stands out as a prominent spectroscopic technique ideal for identifying explosives. The integration of THz data with machine learning models enables rapid identification and classification of explosive molecules. The paper reports the terahertz time domain spectral study of premium explosives such RDX, HMX, TNT, PETN & Tetryl in reflection geometry. We have recorded the absorption spectra and refractive index of the explosives in the frequency range of 0.2 THz–3 THz. Principal component analysis (PCA) was employed for extracting the essential features from the data. In the next step, supervised machine learning algorithms such as support vector mechanism (SVM), K-Nearest neighbor (KNN), and Random Forest (RF) along with principal component analysis were used for the classification of these explosives based on the terahertz spectral data such as absorption spectra, refractive index and Fast Fourier's transform (FFT). The prediction accuracies achieved by supervised machine learning models were above 90 %. In addition, a one-dimensional convolutional neural network (1D-CNN) was implemented for classification, which has outperformed traditional machine learning models by achieving prediction accuracies greater than 95 %. The study has demonstrated that a combination of terahertz spectroscopy and 1D-CNN proves to be an efficient and practical tool for the identification of explosives.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"346 ","pages":"Article 126924"},"PeriodicalIF":4.6000,"publicationDate":"2025-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Classification of secondary explosives with a 1D convolutional neural network technique using terahertz time-domain spectroscopy in reflection geometry\",\"authors\":\"Naveen Periketi, Anil Kumar Chaudhary\",\"doi\":\"10.1016/j.saa.2025.126924\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>Terahertz time-domain spectroscopy (THz-TDS) stands out as a prominent spectroscopic technique ideal for identifying explosives. The integration of THz data with machine learning models enables rapid identification and classification of explosive molecules. The paper reports the terahertz time domain spectral study of premium explosives such RDX, HMX, TNT, PETN & Tetryl in reflection geometry. We have recorded the absorption spectra and refractive index of the explosives in the frequency range of 0.2 THz–3 THz. Principal component analysis (PCA) was employed for extracting the essential features from the data. In the next step, supervised machine learning algorithms such as support vector mechanism (SVM), K-Nearest neighbor (KNN), and Random Forest (RF) along with principal component analysis were used for the classification of these explosives based on the terahertz spectral data such as absorption spectra, refractive index and Fast Fourier's transform (FFT). The prediction accuracies achieved by supervised machine learning models were above 90 %. In addition, a one-dimensional convolutional neural network (1D-CNN) was implemented for classification, which has outperformed traditional machine learning models by achieving prediction accuracies greater than 95 %. The study has demonstrated that a combination of terahertz spectroscopy and 1D-CNN proves to be an efficient and practical tool for the identification of explosives.</div></div>\",\"PeriodicalId\":433,\"journal\":{\"name\":\"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy\",\"volume\":\"346 \",\"pages\":\"Article 126924\"},\"PeriodicalIF\":4.6000,\"publicationDate\":\"2025-09-11\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S1386142525012314\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"SPECTROSCOPY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S1386142525012314","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"SPECTROSCOPY","Score":null,"Total":0}
Classification of secondary explosives with a 1D convolutional neural network technique using terahertz time-domain spectroscopy in reflection geometry
Terahertz time-domain spectroscopy (THz-TDS) stands out as a prominent spectroscopic technique ideal for identifying explosives. The integration of THz data with machine learning models enables rapid identification and classification of explosive molecules. The paper reports the terahertz time domain spectral study of premium explosives such RDX, HMX, TNT, PETN & Tetryl in reflection geometry. We have recorded the absorption spectra and refractive index of the explosives in the frequency range of 0.2 THz–3 THz. Principal component analysis (PCA) was employed for extracting the essential features from the data. In the next step, supervised machine learning algorithms such as support vector mechanism (SVM), K-Nearest neighbor (KNN), and Random Forest (RF) along with principal component analysis were used for the classification of these explosives based on the terahertz spectral data such as absorption spectra, refractive index and Fast Fourier's transform (FFT). The prediction accuracies achieved by supervised machine learning models were above 90 %. In addition, a one-dimensional convolutional neural network (1D-CNN) was implemented for classification, which has outperformed traditional machine learning models by achieving prediction accuracies greater than 95 %. The study has demonstrated that a combination of terahertz spectroscopy and 1D-CNN proves to be an efficient and practical tool for the identification of explosives.
期刊介绍:
Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (SAA) is an interdisciplinary journal which spans from basic to applied aspects of optical spectroscopy in chemistry, medicine, biology, and materials science.
The journal publishes original scientific papers that feature high-quality spectroscopic data and analysis. From the broad range of optical spectroscopies, the emphasis is on electronic, vibrational or rotational spectra of molecules, rather than on spectroscopy based on magnetic moments.
Criteria for publication in SAA are novelty, uniqueness, and outstanding quality. Routine applications of spectroscopic techniques and computational methods are not appropriate.
Topics of particular interest of Spectrochimica Acta Part A include, but are not limited to:
Spectroscopy and dynamics of bioanalytical, biomedical, environmental, and atmospheric sciences,
Novel experimental techniques or instrumentation for molecular spectroscopy,
Novel theoretical and computational methods,
Novel applications in photochemistry and photobiology,
Novel interpretational approaches as well as advances in data analysis based on electronic or vibrational spectroscopy.