Article(id=1322925593003688533, tenantId=1146029695717560320, journalId=1255847919539208197, issueId=1322923782029062261, articleNumber=null, orderNo=null, doi=10.13193/j.issn.1673-7717.2025.06.006, pmid=null, cstr=null, oa=null, hot=null, price=null, onlineType=0, articleFormat=0, articleType=null, articleTypeStr=null, receivedDate=null, receivedDateStr=null, revisedDate=null, revisedDateStr=null, acceptedDate=null, acceptedDateStr=null, onlineDate=1793339640141, onlineDateStr=2026-10-30, pubDate=1749484800000, pubDateStr=2025-06-10, doiRegisterDate=null, doiRegisterDateStr=null, onlineIssueDate=1793339640141, onlineIssueDateStr=2026-10-30, onlineJustAcceptDate=null, onlineJustAcceptDateStr=null, onlineFirstDate=null, onlineFirstDateStr=null, sourceXml=null, magXml=null, createTime=1793339640141, creator=13701087609, updateTime=1793339640141, updator=13701087609, issue=Issue{id=1322923782029062261, tenantId=1146029695717560320, journalId=1255847919539208197, year='2025', volume='43', issue='6', pageStart='1', pageEnd='258', issueExtLink='null', onlineDate='null', pubDate='1749484800000', pubDateStr='2025-06-10', beforeIssueId=null, nextIssueId=null, price=null, status=1, issueComplete=1, articleOrder=1, issueType=-1, specialIssue=0, createTime=1793339208371, creator='13701087609', updateTime=1793340556755, updator='13701087609', preIssue=null, nextIssue=null, articleTotal=null, ext={EN=IssueExt(id=1322929437859258468, tenantId=1146029695717560320, journalId=1255847919539208197, issueId=1322923782029062261, language=EN, specialIssueTitle=, coverIllustrator=null, specialIssueEditor=, specialIssueAbout=), CN=IssueExt(id=1322929437859258469, tenantId=1146029695717560320, journalId=1255847919539208197, issueId=1322923782029062261, language=CN, specialIssueTitle=, coverIllustrator=null, specialIssueEditor=, specialIssueAbout=)}, issueFiles=null, downloadFileDto=null}, startPage=36, endPage=39, ext={EN=ArticleExt(id=1322925593888686678, articleId=1322925593003688533, tenantId=1146029695717560320, journalId=1255847919539208197, language=EN, title=Deep Learning-Based Raman/THz Spectroscopy for Classification and Identification of Zanghonghua(Crocus sativus L.), columnId=1256183375241535778, journalTitle=Chinese Archives of Traditional Chinese Medicine, columnName=Digital Traditional Chinese Medicine, runingTitle=null, highlight=null, articleAbstract=
Objective

To achieve the inter and intraspecific identification of Caohonghua(Carthamus tinctorius L.)from Asteraceae,Xihonghua(Crocus sativus L.)from Iridaceae(originating from Iran)and Zanghonghua(Crocus sativus L.)(originating from Xizang)by using spectroscopic technologies coupled with machine learning methods.

Methods

Raman spectroscopy(RS)and terahertz(THz)spectral data was used to identify and characterize Xihonghua(Crocus sativus L.)(origin Iran),Caohonghua(Carthamus tinctorius L.)(origin Gansu)and Zanghonghua(Crocus sativus L.)(origin Xizang)by using machine learning methods including Principal Component Analysis(PCA),Support-Vector Machine(SVM),Random Forest(RF)and deep learning methods including Multilayer Perceptron(MLP),Convolutional Neural Network(CNN),Long Short Term Memory(LSTM)and Genetic Algorithm-Back Propagation(GA-BP)to analyze the THz and RSspectra of three types of samples.The rapid classification and recognition of Chinese herbal medicine with small sample size was realized.

Results

(1)The classification accuracies of the SVM method on the RS data of the three samples before and after dimensionality reduction by PCA were 83.33% and 94.44%,respectively.The MLP classified the THz data before and after dimensionality reduction by PCA with accuracies of 94.00% and 96.79%,respectively.The results indicated that the classification accuracy was further improved by PCA,and THz spectra for deep learning had a higher accuracy than RSspectra.(2)The classification accuracy of neural networks such as MLP,CNN,RBF,GA-BP and LSTM on THz spectral data was higher than that on RSspectra,among which the classification accuracy of LSTM and RF on THz raw data was as high as 100%.Also,these models had high classification accuracy,high speed and good stability.

Conclusion

The combination of spectroscopic and machine learning methods enables inter and intraspecific identification of Xihonghua(Crocus sativus L.),Caohonghua(Carthamus tinctorius L.)and Zanghonghua(Crocus sativus L.),with high accuracy of THz spectroscopic identification.

, authors=Kanghui SU1, Chaoqi WANG1, Guling ZHANG1, 2, Bin ZOU1, 2, Yuping YANG1, 2, authorsList=Kanghui SU, Chaoqi WANG, Guling ZHANG, Bin ZOU, Yuping YANG, authorCompany=null, correspAuthors=Bin ZOU, Yuping YANG, authorNote=null, correspAuthorsNote=null, copyrightStatement=null, copyrightOwner=null, extLink=null, articleAbsUrl=null, sourceXml=null, magXml=null, pdfUrl=null, pdf=null, pdfFileSize=null, pdfExtLink=null, richHtmlUrl=null, mobilePdfUrl=null, reviewReport=null, pdfFirstPage=null, abstractGraph=null, abstractGraphContent=null, abstractVideo=null, citation=null, cebUrl=null, magXmlContent=null, mapNumber=null, fund=null), CN=ArticleExt(id=1322925602239545978, articleId=1322925593003688533, tenantId=1146029695717560320, journalId=1255847919539208197, language=CN, title=基于深度学习的拉曼/太赫兹光谱对藏红花的分类识别, columnId=1256183387140776248, journalTitle=中华中医药学刊, columnName=数字中医中药, runingTitle=null, highlight=null, articleAbstract=
目的

采用光谱学结合机器学习方法实现菊科红花属植物草红花、鸢尾科番红花属植物西红花(产地伊朗)和藏红花(产地西藏)的种间与种内鉴别。

方法

采用拉曼光谱(Raman spectroscopy,RS)与太赫兹(Terahertz,THz)光谱,以伊朗产西红花、甘肃产草红花、西藏产西红花(下文称藏红花)为研究对象,结合主成分分析(Principal component analysis,PCA)、支持向量机(Support-vector machine,SVM)、随机森林(Random forest,RF)等机器学习方法和多层感知机(Multilayer perceptron,MLP)、卷积神经网络(Convolutional neural network,CNN)、长短期记忆递归神经网络(Long short term memory,LSTM)、径向基函数神经网络(Radial Basis Function,RBF)、基于遗传算法的反向传播神经网络(Genetic Algorithm-Back Propagation,GA-BP)等深度学习方法,分析三类样本的THz吸收光谱与RS,实现中草药小样本的快速分类识别。

结果

(1)SVM 方法对三类样本的RS数据和经PCA降维后的RS数据进行分类精度分别为83.33%和94.44%;MLP对三类样本的原始THz光谱数据和经PCA降维后的THz光谱数据进行分类,准确率分别为94.00%和96.79%;表明PCA对机器学习分类精度提升较为明显,THz光谱用于深度学习结果较RS精度更高。(2)MLP、CNN、RBF、GA-BP、LSTM等神经网络对THz光谱数据的分类准确率高于对RS分类准确率,其中LSTM和RF对太赫兹原始吸收数据分类准确率高达100%,分类精度高、速度快、模型稳定性好。

结论

光谱与机器学习方法结合可以实现草红花、西红花和藏红花的种间与种内鉴别,THz光谱鉴别精度较高。

, authors=苏康慧1, 王超琪1, 张谷令1, 2, 邹斌1, 2, 杨玉平1, 2, authorsList=苏康慧, 王超琪, 张谷令, 邹斌, 杨玉平, authorCompany=null, correspAuthors=邹斌, 杨玉平, authorNote=

苏康慧(1997-),女(藏族),黑龙江七台河人,博士在读,研究方向:传统医药的THz光谱检测与鉴定。

, correspAuthorsNote=
杨玉平(1976-),女,山东德州人,教授,博士研究生导师,博士,研究方向:THz光谱学。E-mail:。
邹斌(1980-),男,山东威海人,副教授,硕士研究生导师,博士,研究方向:凝聚态物理理论。E-mail:。
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苏康慧(1997-),女(藏族),黑龙江七台河人,博士在读,研究方向:传统医药的THz光谱检测与鉴定。

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苏康慧(1997-),女(藏族),黑龙江七台河人,博士在读,研究方向:传统医药的THz光谱检测与鉴定。

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Dyes Pigm,2019,166:323-329., articleTitle=Temperature effect on electronic and vibrational properties ofβ-carotene aggregates in aqueous ethanol solution, refAbstract=null)], funds=[Fund(id=1322925629993255633, tenantId=1146029695717560320, journalId=1255847919539208197, articleId=1322925593003688533, awardId=2017YFB00405402; 2020YFB2009303, language=CN, fundingSource=国家重点基础研究发展计划项目(2017YFB00405402; 2020YFB2009303), fundOrder=null, country=null), Fund(id=1322925632006521554, tenantId=1146029695717560320, journalId=1255847919539208197, articleId=1322925593003688533, awardId=62075248, language=CN, fundingSource=国家自然科学基金项目(62075248), fundOrder=null, country=null)], companyList=[AuthorCompany(id=1322925602730279547, tenantId=1146029695717560320, journalId=1255847919539208197, articleId=1322925593003688533, xref=1., ext=[AuthorCompanyExt(id=1322925602738668156, tenantId=1146029695717560320, journalId=1255847919539208197, articleId=1322925593003688533, companyId=1322925602730279547, language=EN, country=null, province=null, city=null, postcode=null, companyName=null, departmentName=null, remark=1.School of Science,Minzu University of China,Beijing 100081,China), AuthorCompanyExt(id=1322925602747056765, tenantId=1146029695717560320, journalId=1255847919539208197, articleId=1322925593003688533, companyId=1322925602730279547, language=CN, country=null, province=null, city=null, postcode=null, companyName=null, departmentName=null, remark=1.中央民族大学理学院,北京 100081)]), AuthorCompany(id=1322925603074212478, tenantId=1146029695717560320, journalId=1255847919539208197, articleId=1322925593003688533, xref=2., ext=[AuthorCompanyExt(id=1322925603082601087, tenantId=1146029695717560320, journalId=1255847919539208197, articleId=1322925593003688533, companyId=1322925603074212478, language=EN, country=null, province=null, city=null, postcode=null, companyName=null, departmentName=null, remark=2.Engineering Research Center of Photonic Design Soft Wave,Ministry of Education,Beijing 100081,China), AuthorCompanyExt(id=1322925603090989696, tenantId=1146029695717560320, journalId=1255847919539208197, articleId=1322925593003688533, companyId=1322925603074212478, language=CN, country=null, province=null, city=null, postcode=null, companyName=null, departmentName=null, remark=2.光子系统工程软件教育部工程研究中心,北京 100081)])], figs=[ArticleFig(id=1322925614914732717, tenantId=1146029695717560320, journalId=1255847919539208197, articleId=1322925593003688533, language=EN, label=null, caption=null, figureFileSmall=wA/SorTlkCSfbWICBdj3mA==, figureFileBig=pTHX2Uk3ZDbLgW5WxgfX2w==, tableContent=null), ArticleFig(id=1322925615296414382, tenantId=1146029695717560320, journalId=1255847919539208197, articleId=1322925593003688533, language=CN, label=图1, caption=机器学习流程图(以THz光谱为例), figureFileSmall=wA/SorTlkCSfbWICBdj3mA==, figureFileBig=pTHX2Uk3ZDbLgW5WxgfX2w==, tableContent=null), ArticleFig(id=1322925616089137839, tenantId=1146029695717560320, journalId=1255847919539208197, articleId=1322925593003688533, language=EN, label=null, caption=null, figureFileSmall=pPn5cWiSxLEP/Er4Hqv+4w==, figureFileBig=bu5HxDEFqySpnshl5rZ6vw==, tableContent=null), ArticleFig(id=1322925616164635312, tenantId=1146029695717560320, journalId=1255847919539208197, articleId=1322925593003688533, language=CN, label=图2, caption=归一化拉曼光谱

注:(a)草红花、西红花、藏红花的,(b)有效成分西红花苷Ⅰ、Ⅱ、Ⅲ。

, figureFileSmall=pPn5cWiSxLEP/Er4Hqv+4w==, figureFileBig=bu5HxDEFqySpnshl5rZ6vw==, tableContent=null), ArticleFig(id=1322925616508568241, tenantId=1146029695717560320, journalId=1255847919539208197, articleId=1322925593003688533, language=EN, label=null, caption=null, figureFileSmall=00/iz6a7jOKZ01q8YadgUQ==, figureFileBig=i2GWniiqrQLodw5oz9VWUg==, tableContent=null), ArticleFig(id=1322925616927998642, tenantId=1146029695717560320, journalId=1255847919539208197, articleId=1322925593003688533, language=CN, label=图3, caption=草红花、西红花、藏红花的拉曼光谱PCA分析结果, figureFileSmall=00/iz6a7jOKZ01q8YadgUQ==, figureFileBig=i2GWniiqrQLodw5oz9VWUg==, tableContent=null), ArticleFig(id=1322925617003496115, tenantId=1146029695717560320, journalId=1255847919539208197, articleId=1322925593003688533, language=EN, label=null, caption=null, figureFileSmall=gEQqFp/u+NP5/drnzerTVg==, figureFileBig=wmhZj2Ak2YqI629NL0mlyw==, tableContent=null), ArticleFig(id=1322925618639274677, tenantId=1146029695717560320, journalId=1255847919539208197, articleId=1322925593003688533, language=CN, label=图4, caption=草红花、西红花、藏红花的拉曼光谱分类结果

注:(a)SVM,(b)PCA+SVM。

, figureFileSmall=gEQqFp/u+NP5/drnzerTVg==, figureFileBig=wmhZj2Ak2YqI629NL0mlyw==, tableContent=null), ArticleFig(id=1322925618706383542, tenantId=1146029695717560320, journalId=1255847919539208197, articleId=1322925593003688533, language=EN, label=null, caption=null, figureFileSmall=1hlbEAO1xOT6HzjnAJwOXA==, figureFileBig=IEAgTsUcgBh+l7CyJVUvXw==, tableContent=null), ArticleFig(id=1322925619004179127, tenantId=1146029695717560320, journalId=1255847919539208197, articleId=1322925593003688533, language=CN, label=图5, caption=草红花、西红花、藏红花的THz时域波形

注:(a)草红花,(c)西红花,(e)藏红花;与对应的频域光谱(b)草红花,(d)西红花,(f)藏红花。

, figureFileSmall=1hlbEAO1xOT6HzjnAJwOXA==, figureFileBig=IEAgTsUcgBh+l7CyJVUvXw==, tableContent=null), ArticleFig(id=1322925619444581048, tenantId=1146029695717560320, journalId=1255847919539208197, articleId=1322925593003688533, language=EN, label=null, caption=null, figureFileSmall=HCHdpf2xfmSyyPZ8Sku8DA==, figureFileBig=ns+GscD+wuqGmAsvJyu+7g==, tableContent=null), ArticleFig(id=1322925619939508921, tenantId=1146029695717560320, journalId=1255847919539208197, articleId=1322925593003688533, language=CN, label=图6, caption=草红花、西红花、藏红花的THz吸收光谱

注:(a)原始吸收光谱,(b)平均吸收光谱。

, figureFileSmall=HCHdpf2xfmSyyPZ8Sku8DA==, figureFileBig=ns+GscD+wuqGmAsvJyu+7g==, tableContent=null), ArticleFig(id=1322925620740620986, tenantId=1146029695717560320, journalId=1255847919539208197, articleId=1322925593003688533, language=EN, label=null, caption=null, figureFileSmall=/uYiwBVEuxk5wa1xCxyoqw==, figureFileBig=ZEyRlTv+DQq+EyYC0AmX6A==, tableContent=null), ArticleFig(id=1322925621147468475, tenantId=1146029695717560320, journalId=1255847919539208197, articleId=1322925593003688533, language=CN, label=图7, caption=草红花、西红花、藏红花的THz数据PCA分析结果, figureFileSmall=/uYiwBVEuxk5wa1xCxyoqw==, figureFileBig=ZEyRlTv+DQq+EyYC0AmX6A==, tableContent=null), ArticleFig(id=1322925621587870396, tenantId=1146029695717560320, journalId=1255847919539208197, articleId=1322925593003688533, language=EN, label=null, caption=null, figureFileSmall=CbxiIEVPRZQBspBPL6yVoA==, figureFileBig=4bmy9Ihl2Upwy5vtKJfguQ==, tableContent=null), ArticleFig(id=1322925623286563518, tenantId=1146029695717560320, journalId=1255847919539208197, articleId=1322925593003688533, language=CN, label=图8, caption=THz数据测试集的SVM分类结果, figureFileSmall=CbxiIEVPRZQBspBPL6yVoA==, figureFileBig=4bmy9Ihl2Upwy5vtKJfguQ==, tableContent=null), ArticleFig(id=1322925623685022400, tenantId=1146029695717560320, journalId=1255847919539208197, articleId=1322925593003688533, language=EN, label=null, caption=null, figureFileSmall=3NfbYSeBaUAS0cbgItCeig==, figureFileBig=fF+hf5vB/+nktZaYNFjUCg==, tableContent=null), ArticleFig(id=1322925624066704066, tenantId=1146029695717560320, journalId=1255847919539208197, articleId=1322925593003688533, language=CN, label=图9, caption=THz数据的RF分类结果

注:(a)、(e)RF训练集,(b)、(f)RF测试集,(c)、(g)PCA+RF训练集,(d)、(h)PCA+RF测试集。

, figureFileSmall=3NfbYSeBaUAS0cbgItCeig==, figureFileBig=fF+hf5vB/+nktZaYNFjUCg==, tableContent=null), ArticleFig(id=1322925624490328771, tenantId=1146029695717560320, journalId=1255847919539208197, articleId=1322925593003688533, language=EN, label=null, caption=null, figureFileSmall=lqHZVrwv/9reeeYu9Z2Z/w==, figureFileBig=Aor7g3WmJa1Khess8kWDiA==, tableContent=null), ArticleFig(id=1322925625304023748, tenantId=1146029695717560320, journalId=1255847919539208197, articleId=1322925593003688533, language=CN, label=图10, caption=RS数据的RF分类结果

注:(a)、(e)RF训练集,(b)、(f)RF测试集,(c)、(g)PCA+RF训练集,(d)、(h)PCA+RF测试集。

, figureFileSmall=lqHZVrwv/9reeeYu9Z2Z/w==, figureFileBig=Aor7g3WmJa1Khess8kWDiA==, tableContent=null), ArticleFig(id=1322925625769591495, tenantId=1146029695717560320, journalId=1255847919539208197, articleId=1322925593003688533, language=EN, label=null, caption=null, figureFileSmall=EAedjnKcf/d+MTn3kgJ8uQ==, figureFileBig=5deOOTOAqO5lGG6jn0lgNQ==, tableContent=null), ArticleFig(id=1322925625874449096, tenantId=1146029695717560320, journalId=1255847919539208197, articleId=1322925593003688533, language=CN, label=图11, caption=THz数据的CNN分类结果

注:(a)、(e)RF训练集,(b)、(f)RF测试集,(c)、(g)PCA+RF训练集,(d)、(h)PCA+RF测试集。

, figureFileSmall=EAedjnKcf/d+MTn3kgJ8uQ==, figureFileBig=5deOOTOAqO5lGG6jn0lgNQ==, tableContent=null), ArticleFig(id=1322925627816411849, tenantId=1146029695717560320, journalId=1255847919539208197, articleId=1322925593003688533, language=EN, label=null, caption=null, figureFileSmall=4SuzLcVHkCeG79u1E9O6sA==, figureFileBig=hZjXJFH2/s5yM0CM+8IYhw==, tableContent=null), ArticleFig(id=1322925627904492234, tenantId=1146029695717560320, journalId=1255847919539208197, articleId=1322925593003688533, language=CN, label=图12, caption=RS数据的CNN分类结果

注:(a)、(e)RF训练集,(b)、(f)RF测试集,(c)、(g)PCA+RF训练集,(d)、(h)PCA+RF测试集。

, figureFileSmall=4SuzLcVHkCeG79u1E9O6sA==, figureFileBig=hZjXJFH2/s5yM0CM+8IYhw==, tableContent=null), ArticleFig(id=1322925628235842251, tenantId=1146029695717560320, journalId=1255847919539208197, articleId=1322925593003688533, language=EN, label=null, caption=null, figureFileSmall=yjaRUaJeih4ePhkjSUJcYw==, figureFileBig=R2rZY2Z2TUvSaZe1OblEOQ==, tableContent=null), ArticleFig(id=1322925628659466956, tenantId=1146029695717560320, journalId=1255847919539208197, articleId=1322925593003688533, language=CN, label=图13, caption=THz数据的LSTM分类结果

注:(a)、(e)RF训练集,(b)、(f)RF测试集,(c)、(g)PCA+RF训练集,(d)、(h)PCA+RF测试集。

, figureFileSmall=yjaRUaJeih4ePhkjSUJcYw==, figureFileBig=R2rZY2Z2TUvSaZe1OblEOQ==, tableContent=null), ArticleFig(id=1322925628743353037, tenantId=1146029695717560320, journalId=1255847919539208197, articleId=1322925593003688533, language=EN, label=null, caption=null, figureFileSmall=8R5p2LWNGFglssul7fnm9g==, figureFileBig=x/5HGeG3e+pgpemCk4KfYA==, tableContent=null), ArticleFig(id=1322925629095674574, tenantId=1146029695717560320, journalId=1255847919539208197, articleId=1322925593003688533, language=CN, label=图14, caption=RS数据的LSTM分类结果

注:(a)、(e)RF训练集,(b)、(f)RF测试集,(c)、(g)PCA+RF训练集,(d)、(h)PCA+RF测试集。

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方法THz-TDSRS
训练集/(%)测试集/(%)训练集/(%)测试集/(%)
RF100.00100.00100.0094.44
PCA+RF100.0090100.00100.00
MLP98.419498.6191.67
PCA+MLP98.7596.79100.0088.89
CNN100.0095100.0094.44
PCA+CNN100.00100.00100.0094.44
LSTM100.00100.0068.0663.89
PCA+LSTM100.00100.00100.00100.00
RBF100.0093.7597.2589.99
PCA+RBF100.0095100.0089.81
GA-BP98.6195.5695.6384.84
PCA+GA-BP99.0696.2597.2294.44
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THz-TDS和RS深度学习分类精度结果

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方法THz-TDSRS
训练集/(%)测试集/(%)训练集/(%)测试集/(%)
RF100.00100.00100.0094.44
PCA+RF100.0090100.00100.00
MLP98.419498.6191.67
PCA+MLP98.7596.79100.0088.89
CNN100.0095100.0094.44
PCA+CNN100.00100.00100.0094.44
LSTM100.00100.0068.0663.89
PCA+LSTM100.00100.00100.00100.00
RBF100.0093.7597.2589.99
PCA+RBF100.0095100.0089.81
GA-BP98.6195.5695.6384.84
PCA+GA-BP99.0696.2597.2294.44
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基于深度学习的拉曼/太赫兹光谱对藏红花的分类识别
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苏康慧 1 , 王超琪 1 , 张谷令 1, 2 , 邹斌 1, 2 , 杨玉平 1, 2
中华中医药学刊 | 数字中医中药 2025,43(6): 36-39
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中华中医药学刊 |数字中医中药 2025 , 43 (6) : 36 -39
基于深度学习的拉曼/太赫兹光谱对藏红花的分类识别
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苏康慧(1997-),女(藏族),黑龙江七台河人,博士在读,研究方向:传统医药的THz光谱检测与鉴定。

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苏康慧(1997-),女(藏族),黑龙江七台河人,博士在读,研究方向:传统医药的THz光谱检测与鉴定。

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苏康慧1, 王超琪1, 张谷令1, 2, 邹斌1, 2 , 杨玉平1, 2
作者信息
  • 1.中央民族大学理学院,北京 100081
  • 2.光子系统工程软件教育部工程研究中心,北京 100081
通讯作者:
杨玉平(1976-),女,山东德州人,教授,博士研究生导师,博士,研究方向:THz光谱学。E-mail:。
邹斌(1980-),男,山东威海人,副教授,硕士研究生导师,博士,研究方向:凝聚态物理理论。E-mail:。
作者简介:

苏康慧(1997-),女(藏族),黑龙江七台河人,博士在读,研究方向:传统医药的THz光谱检测与鉴定。

Deep Learning-Based Raman/THz Spectroscopy for Classification and Identification of Zanghonghua(Crocus sativus L.)
Kanghui SU1, Chaoqi WANG1, Guling ZHANG1, 2, Bin ZOU1, 2 , Yuping YANG1, 2
Affiliations
  • 1.School of Science,Minzu University of China,Beijing 100081,China
  • 2.Engineering Research Center of Photonic Design Soft Wave,Ministry of Education,Beijing 100081,China
出版时间: 2025-06-10 doi: 10.13193/j.issn.1673-7717.2025.06.006
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目的

采用光谱学结合机器学习方法实现菊科红花属植物草红花、鸢尾科番红花属植物西红花(产地伊朗)和藏红花(产地西藏)的种间与种内鉴别。

方法

采用拉曼光谱(Raman spectroscopy,RS)与太赫兹(Terahertz,THz)光谱,以伊朗产西红花、甘肃产草红花、西藏产西红花(下文称藏红花)为研究对象,结合主成分分析(Principal component analysis,PCA)、支持向量机(Support-vector machine,SVM)、随机森林(Random forest,RF)等机器学习方法和多层感知机(Multilayer perceptron,MLP)、卷积神经网络(Convolutional neural network,CNN)、长短期记忆递归神经网络(Long short term memory,LSTM)、径向基函数神经网络(Radial Basis Function,RBF)、基于遗传算法的反向传播神经网络(Genetic Algorithm-Back Propagation,GA-BP)等深度学习方法,分析三类样本的THz吸收光谱与RS,实现中草药小样本的快速分类识别。

结果

(1)SVM 方法对三类样本的RS数据和经PCA降维后的RS数据进行分类精度分别为83.33%和94.44%;MLP对三类样本的原始THz光谱数据和经PCA降维后的THz光谱数据进行分类,准确率分别为94.00%和96.79%;表明PCA对机器学习分类精度提升较为明显,THz光谱用于深度学习结果较RS精度更高。(2)MLP、CNN、RBF、GA-BP、LSTM等神经网络对THz光谱数据的分类准确率高于对RS分类准确率,其中LSTM和RF对太赫兹原始吸收数据分类准确率高达100%,分类精度高、速度快、模型稳定性好。

结论

光谱与机器学习方法结合可以实现草红花、西红花和藏红花的种间与种内鉴别,THz光谱鉴别精度较高。

太赫兹时域光谱  /  拉曼光谱  /  深度学习  /  草红花  /  藏红花
Objective

To achieve the inter and intraspecific identification of Caohonghua(Carthamus tinctorius L.)from Asteraceae,Xihonghua(Crocus sativus L.)from Iridaceae(originating from Iran)and Zanghonghua(Crocus sativus L.)(originating from Xizang)by using spectroscopic technologies coupled with machine learning methods.

Methods

Raman spectroscopy(RS)and terahertz(THz)spectral data was used to identify and characterize Xihonghua(Crocus sativus L.)(origin Iran),Caohonghua(Carthamus tinctorius L.)(origin Gansu)and Zanghonghua(Crocus sativus L.)(origin Xizang)by using machine learning methods including Principal Component Analysis(PCA),Support-Vector Machine(SVM),Random Forest(RF)and deep learning methods including Multilayer Perceptron(MLP),Convolutional Neural Network(CNN),Long Short Term Memory(LSTM)and Genetic Algorithm-Back Propagation(GA-BP)to analyze the THz and RSspectra of three types of samples.The rapid classification and recognition of Chinese herbal medicine with small sample size was realized.

Results

(1)The classification accuracies of the SVM method on the RS data of the three samples before and after dimensionality reduction by PCA were 83.33% and 94.44%,respectively.The MLP classified the THz data before and after dimensionality reduction by PCA with accuracies of 94.00% and 96.79%,respectively.The results indicated that the classification accuracy was further improved by PCA,and THz spectra for deep learning had a higher accuracy than RSspectra.(2)The classification accuracy of neural networks such as MLP,CNN,RBF,GA-BP and LSTM on THz spectral data was higher than that on RSspectra,among which the classification accuracy of LSTM and RF on THz raw data was as high as 100%.Also,these models had high classification accuracy,high speed and good stability.

Conclusion

The combination of spectroscopic and machine learning methods enables inter and intraspecific identification of Xihonghua(Crocus sativus L.),Caohonghua(Carthamus tinctorius L.)and Zanghonghua(Crocus sativus L.),with high accuracy of THz spectroscopic identification.

Terahertz time-domain spectroscopy  /  Raman spectroscopy  /  deep learning  /  Caohonghua(Carthamus tinctorius L.)  /  Zanghonghua(Crocus sativus L.)
苏康慧, 王超琪, 张谷令, 邹斌, 杨玉平. 基于深度学习的拉曼/太赫兹光谱对藏红花的分类识别. 中华中医药学刊, 2025 , 43 (6) : 36 -39 . DOI: 10.13193/j.issn.1673-7717.2025.06.006
Kanghui SU, Chaoqi WANG, Guling ZHANG, Bin ZOU, Yuping YANG. Deep Learning-Based Raman/THz Spectroscopy for Classification and Identification of Zanghonghua(Crocus sativus L.)[J]. Chinese Archives of Traditional Chinese Medicine, 2025 , 43 (6) : 36 -39 . DOI: 10.13193/j.issn.1673-7717.2025.06.006
西红花,是鸢尾科番红花(Crocus sativus L.)属多年生草本植物,原产地为伊朗、西班牙、希腊等国,于唐朝期间经西藏传入国内,因此又名“藏红花”。市售的西红花产地多样,其中伊朗产的西红花和西藏产的西红花都属于番红花属;草红花是菊科红花属植物,多产于新疆、甘肃等地,虽然草红花与西红花外形相似,但它们不属于同一物种,其入药部位、活性成分、功效和产量也不同。西红花以其干燥柱头部分入药,而草红花的入药部位是其管状的小花,草红花产量比西红花高得多。根据2020版《中华人民共和国药典》的描述,西红花具有活血化瘀、保护心脏、抗抑郁、抗糖尿病、抗闭经痛经等功效,草红花具有淡斑祛印的功效[1]。由于西红花产量较低(1朵红花仅有3根柱头),经过干燥后重量更轻,因而150朵红花仅能产生1 g左右的成品药材红花,这也导致优质红花在中药材市场上供不应求[2]。为了从中牟取暴利,不法商家以次充好、掺假售卖,或者以假乱真,将草红花染色后进行售卖,这些行为导致市场上红花真假难辨[3-4]。现代的检测方法如显微鉴别、薄层色谱、质谱法步骤繁琐、费时费力,且需要专业人员操作,无法实现快速、简便检测的需求,因而亟须一种新的方法实现对红花的快速检测[5-11]。
光谱方法具有更高的准确性和灵敏度,拉曼光谱(Raman spectroscopy,RS)可以获得分子化学键(或官能团)振动与转动相关的信息,从而对化学成分不同的物质进行区分,有研究者将拉曼光谱法与其他光谱方法联用,可以实现藏红花的鉴别。余志引等[12]报道的西红花拉曼峰与密度泛函理论计算得到的西红花苷拉曼峰位基本一致,成功区分了伪品西红花(草红花)与真品西红花;VARLIKLIOZ ER S等[13]用拉曼光谱联合激光诱导击穿光谱(Laser-induced breakdown spectroscopy,LIBS)设计出一种可以定量分析方法,可以用于西红花中掺杂万寿菊和姜黄的鉴别;DAI H C等[14]将拉曼光谱与薄层色谱法(Thin-layer Chromatography,TLC)结合,在西红花掺伪鉴别中取得良好效果,验证了拉曼检测西红花的可行性。但是,对于分子结构相似的化合物,由于基团共振在红外波段引起的拉曼峰位几乎相同,因此在对其有效成分鉴别和种间(种内)评估方面产生了一定困难。此外,激发光源的高光子能量不可避免地会对样品产生一定的损伤,加上其测试的信噪比和稳定性不高,严重影响了分类精度。
太赫兹波频率范围介于0.1~10 THz,具有穿透性、宽带性、安全性、瞬态性等特征,广泛应用于食品、药材等领域的无损检测。太赫兹时域光谱(Terahertz-time domain spectroscopy,THz-TDS)可以同时获取样品的振幅和相位信息,从而在化学分子和生物样品识别中具有较大潜力[15-18]。马品[18]等利用THz-TDS技术检测天麻等药物中的水分含量,并基于生物组织含水量差异实现生物组织健康情况的高精准判断[17]。近年来,为了进一步提高分类精度与检测效率,机器学习方法结合太赫兹光谱已被广泛用于药用植物和其中有效成分的分类鉴别,具有鉴别精度高、不损坏样本、快速高效、操作简便等优势。张活[19]用太赫兹光谱和机器学习方法相结合,成功地将青蒿素与吡哆素、苯甲酸、肉桂酸等几种化合物进行了区分,还实现了断肠草、忍冬草、五指毛桃、白英、寻骨风和龙葵草等六种外观相似中药材的分类,分类精度均在94%以上。徐振[20]结合THz-TDS和多种机器学习方法鉴别4种常见产地的贝母(川贝母、平贝母、伊贝母、浙贝母),其中,结合标准正态变换与SVM建立的多分类模型预测正确率高达97.49%。2019年,杨玉平等[21]采用S-G平滑(Savitzky-Golay,S-G)方法处理草红花和西红花的太赫兹吸收光谱,平滑后数据的PCA分类精度提高到100%,较平滑前精度有较大改善;但草红花和西红花属于两个物种,目前的研究只实现了种间鉴别,并未提及不同产区西红花的种内鉴别。
本文综合利用太赫兹吸收光谱与拉曼光谱技术,并结合PCA、SVM、LSTM、MLP、GA-BP等分析方法,用于同时实现西红花、草红花(伪品)、藏红花的种内与种间鉴别,真伪鉴别与产地鉴别。基于RS和THz光谱数据用于深度学习的精度差异,高效地实现西藏西红花、甘肃草红花(西红花的伪品)和伊朗西红花的区分,为同时实现中药材的真伪区分与地域鉴别提供方法上的参考。
所需藏红花、草红花、西红花样本购置于同仁堂药业有限公司。为避免植物中水分对光谱的影响,同时模拟药用植物炮制过程,将样本和聚乙烯(Polyethylene,PE)均利用干燥箱在40℃干燥12 h,经玛瑙钵研磨后过200目筛,采用压片法将研磨均匀后的样本粉末和聚乙烯粉末按照1:3的比例在11 t的压力下制成两面平行且光滑的圆片(总质量为200 mg,每个样本20组)。压片的草红花平均厚度大约在1.970 mm,藏红花和西红花的平均厚度约为1.940 mm;压制同样重量的聚乙烯片作为对照,厚度为1.556 mm。
测量草红花、西红花、藏红花粉末的THz光谱和拉曼光谱,每种样品各20个,共20×3=60个样本,每个样本测量3次取平均值。采集3组PE的THz透射光谱数据作为参考。
本实验室自主搭建的THz-TDS系统用于测试太赫兹光谱,其积分时间300 ms,有效波段0.2~3 THz。实验温度19.1℃,测试环境充入氮气以去除水蒸气带来的影响。
法国Jobin-Yvon公司生产的LabRam HR-800共聚焦激光拉曼光谱仪用于拉曼光谱测试。激发光源为He-Ne激光器,波长632.8 nm,衍射光栅600 gr/mm,针孔直径100μm;激光在样本表面的平均功率10 mW,积分时间5 s,积分次数10,测量范围200~2000 cm-1,测试环境温度20℃。
测试纯PE和有待测物质的压片的太赫兹时域信号分别作为参考和样本信息,基于快速傅里叶变换,获取相应的频域振幅信息[参考AR(ω)和样本AS(ω)],进而得到样本的吸光度,可表示为A[22],见公式(1)。
将THz吸收光谱数据与S-G滤波平滑并归一化后的样品粉末拉曼光谱数据作为做主成分分析的输入数据,获取降维后的光谱信息,并基于SVM、CNN、LSTM、RF、RBF、MLP、GABP机器学习方法,进而得到相应的分类结果,机器学习流程见插页Ⅳ图1。
插页Ⅳ图2(a)分别为3种样品在900~1700 cm-1波段内的拉曼光谱,可以看到草红花没有特征峰,西红花和藏红花有明显的指纹特征且两者的峰位几乎相同,相对强弱和峰形稍有差异但不明显。其中1537 cm-1左右的峰对应C=C的伸缩振动,1164 cm-1左右的峰对应C—C的伸缩振动,1209 cm-1左右的峰对应C—C和C—H的弯曲模式,1283 cm-1左右的峰对应C—C的伸缩振动和C—H面内弯曲振动,1019 cm-1左右的峰是附着在多烯链上的—CH3 基团和C—C偶联的面内摇摆产生的,966 cm-1左右的峰对应C—O—C键[15,23-27]。为探究特征峰的物理来源,我们进一步测试了3种西红花有效物质,分别为西红花苷Ⅰ(Crocin I,分子式C44 H64 O24)、西红花苷Ⅱ(CrocinⅡ,分子式C38 H54 O19)和西红花苷Ⅲ(CrocinⅢ,分子式C32 H44 O14),如插页Ⅳ图2(b)所示为3种有效物质的归一化拉曼光谱。西红花苷Ⅰ、Ⅱ、Ⅲ的拉曼光谱和西红花、藏红花的拉曼光谱相对应,但由于西红花苷Ⅰ、Ⅱ、Ⅲ的拉曼光几乎相同,难以确定西红花中具体是哪种物质在起作用,也无法据此实现西红花和藏红花的种内鉴别,需要采用聚类分析方法进一步分类。
将S-G平滑后的拉曼光谱数据作PCA聚类分析,结果如插页Ⅳ图3所示,前两个主成分PC1和PC2的方差贡献率分别为37.3%和19.3%,累计贡献率达56.6%。从分散程度看,草红花(浅蓝色)的方差最小,表现出明显的聚类,能够与西红花和藏红花区分开;而西红花和藏红花的数据点较为离散,数据内部相似性一般,难以区分。
进一步采用SVM进行聚类分析。SVM是典型的结构风险最小化模型,可以使间隔最大化,适用于小样本的精准分类。将草红花、西红花和藏红花的归一化拉曼光谱数据输入Matlab R2019a,训练集12×3=36个,测试集6×3=18个,迭代次数iter=52,测试精度为83.33%,如插页Ⅴ图4(a)所示;进一步将PCA与SVM结合,通过交叉验证选择最优的主成分数量为3,迭代次数iter=37次,精度为94.44%,PCA+SVM比单用SVM精度提高了11.11%,如插页Ⅴ图4(b)所示。
THz时域波形和傅里叶变换光谱如插页Ⅴ图5所示。草红花、西红花和藏红花的时域、频域光谱均无明显差异,无法作为鉴别依据。
样品在0.2~3.0 THz的吸收曲线如插页Ⅵ图6(a),曲线无明显吸收峰,在高频区,草红花和藏红花重叠部分较小,较易区分,西红花和藏红花重叠较多,难以区分,在低频区,三者几乎完全重叠。插页Ⅵ图6(b)为插页Ⅵ图6(a)平均后的结果,能更直观地展现3种样本吸收光谱的差别,草红花的平均吸收系数最大,西红花略大于藏红花。
太赫兹吸收光谱数据的PCA聚类分析结果见插页Ⅵ图7,主成分PC1和PC2的方差贡献率分别为27.7%和13.1%。草红花的聚类效果较好,辨别准确率达100%,与文献[21]中的结果一致,而同为鸢尾科红花属的西红花和藏红花重叠区域较大,依旧无法区分,这是由两者有效成分类似导致的,与拉曼光谱的PCA分类结果一致。
进一步,运用SVM聚类分析方法,选取0.5~3.0 THz范围内的光谱数据,其中训练集10×3=30组,测试集5×3=15组,迭代次数为157次,测试精度达100%,如插页Ⅵ图8所示。使用SVM分类时,THz作为输入数据的测试精度比RS数据作为输入数据时高16.67%,比PCA降维后的RS数据作为输入数据时高5.56%。
以上结果说明,THz光谱用于深度学习时比拉曼光谱有更高的分类精度,这是由于THz时域光谱采用相干测试,信噪比更高,光谱中的冗余信息更少,且不易受测试环境干扰,在定量分析和聚类分析中具有更好的效果。
为了进一步验证太赫兹光谱用于深度学习时的分类效果,将太赫兹原始吸收光谱数据、拉曼光谱数据作为输入数据,进行RF机器学习,决策树数目100,最小叶子数0.01,测试精度分别为100%(THz+RF)和94.44%(RS+RF),如插页Ⅵ图9、插页Ⅶ图10所示,THz的分类精度高于RS。将PCA降维后的RS数据输入RF进行学习,得到的精度为100%,分类效果得以改善,但操作步骤增加。可见,THz光谱用于红花分类时可以省去PCA降维这一步骤,比拉曼光谱更快,准确率也更高。
类似地,将经PCA降维前后的THz吸收光谱和RS数据作为输入数据,进行CNN深度学习,THz原始吸收数据的分类精度为95%,RS数据分类精度为94.44%,经PCA降维后的THz分类精度为100%,RS为94.44%。THz数据降维后精度提高了5%,RS数据降维后分类精度未见提升。可见,PCA降维前后,THz作为输入数据时的分类精度都要优于RS的分类精度。见插页Ⅶ图11、插页Ⅶ图12。
同样地,分别将PCA降维前后的THz吸收数据和RS数据输入Matlab做LSTM分类,分类结果如插页Ⅷ图13所示,降维前后THz分类精度均为100%,分类效果较好。RS数据的训练集准确率只有68.06%,测试集准确率仅为63.89%,如插页Ⅷ图14所示;RS+PCA的训练集分类准确率为100%,测试集准确率为100%,分类精度提升,但增加了处理步骤,使分类过程更复杂。
总结以上深度学习方法的分类效果列于表1,其中包含MLP、CNN、RBF、LSTM、RF、GA-BP等神经网络分类方法的测试精度。原始THz吸收光谱的训练集和测试集的MLP分类精度分别为98.41%和94%,经PCA降维后分类精度分别为98.75%和96.79%,测试精度提高2.79%。相比之下,PCA降维前后的RS数据的MLP测试集分类精度分别为91.67%和88.89%,均低于THz光谱数据的分类精度。类似的,经PCA降维前,THz吸收光谱的LSTM分类精度为100%,远高于RS数据的分类精度(63.89%);经PCA降维后,两种光谱分类精度相同,均为100%,但拉曼光谱分类相较于THz光谱而言操作更繁琐。本文列出的几种机器学习方法,THz吸收数据(未经PCA处理)的分类精度均高于RS数据,说明THz光谱数据联合一系列机器学习方法可以对药用植物这类混合物进行无损、快速鉴别,操作简便且灵敏度高,为中药这类复杂混合物的鉴别提供了参考。
由于神经网络具有复杂性高且可视性低的内部结构,深度学习往往比机器学习耗时更长;本研究采用小样本进行深度学习,避开了深度学习耗时长的短板。文中用到的几种机器学习方法中,GA-BP耗时最长,准确率一般;SVM最快,准确率较高、稳定性好;LSTM准确率最高、稳定性最好。可见THz-TDS对各种机器学习方式都很包容,在提高分类精度的同时,尽可能满足快速、简单、无损等要求。基于THz光谱和LSTM实现了草红花、西红花、藏红花的快速、无损鉴别,为中草药的无损鉴别提供了思路。
本研究对草红花、藏红花、西红花各20份样品在THz光谱和拉曼光谱测试的基础上,结合主成分分析和深度学习方法,全面、客观评价拉曼光谱数据和THz吸收光谱数据用于三类样品分类的分类效果。草红花的THz光谱和拉曼光谱数据的PCA均表现出较好的聚类,而西红花和藏红花PCA重叠区域大,可能由西红花和藏红花成分相似导致,这与拉曼光谱的测试结果一致。
进一步结合机器学习方法,将拉曼数据(训练集36组,测试集18组)和THz吸收光谱数据(训练集30组,测试集15组)以训练集∶测试集=2∶1的比例输入Matlab R2019a中进行SVM分类,拉曼数据和原始THz吸收数据的分类精度分别为83.33%和100%,THz吸收光谱数据结合机器学习方法分类精度较高。
更进一步,使用更多机器学习方法进行测试,MLP对原始THz吸收光谱数据和拉曼光谱数据的测试集分类精度分别为94%和91.67%;RF的精度分别为100%和94.44%;CNN的测试精度分别为95%和94.44%;LSTM精度分别为100%和63.89%;RBF为93.75%和89.99%,GA-BP分别为95.56%和84.84%,整体看来,THz吸收光谱数据用于机器学习的分类精度更高。
综上,本研究提出一种基于太赫兹时域光谱和深度学习实现小样本量的草红花、西红花、藏红花的快速、无损分类鉴别方法,不仅可以区分同属不同产地的西红花和藏红花,也可以区分西红花和其伪品——草红花,创新性地一次性实现真伪鉴别与产地区分,其中THz光谱的RF、PCA+CNN、LSTM分类精度可达100%。相比拉曼光谱而言,THz吸收光谱分类准确率更高、数据处理过程更简单、耗时更短,为不同产区的西红花药材的分类和真伪鉴别提供参考。
  • 国家重点基础研究发展计划项目(2017YFB00405402; 2020YFB2009303)
  • 国家自然科学基金项目(62075248)
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2025年第43卷第6期
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doi: 10.13193/j.issn.1673-7717.2025.06.006
  • 首发时间:2026-10-30
  • 出版时间:2025-06-10
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国家重点基础研究发展计划项目(2017YFB00405402; 2020YFB2009303)
国家自然科学基金项目(62075248)
作者信息
    1.中央民族大学理学院,北京 100081
    2.光子系统工程软件教育部工程研究中心,北京 100081

通讯作者:

杨玉平(1976-),女,山东德州人,教授,博士研究生导师,博士,研究方向:THz光谱学。E-mail:。
邹斌(1980-),男,山东威海人,副教授,硕士研究生导师,博士,研究方向:凝聚态物理理论。E-mail:。
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2种不同金属材料的力学参数
科
Family
属数
Number of
genus
种数
Number of
species
占总种数比例
Percentage of
total species (%)
属
Genus
种数
Number of
species
占总种数比例
Percentage of total
species (%)
鹅膏菌科Amanitaceae 2 11 5.26 鹅膏菌属 Amanita 10 4.78
小菇科 Mycenaceae 2 12 5.74 丝盖伞属 Inocybe 5 2.39
多孔菌科 Polyporaceae 8 14 6.70 蜡蘑属 Laccaria 5 2.39
红菇科 Russulaceae 3 23 11.00 小皮伞属 Marasmius 6 2.87
小菇属 Mycena 11 5.26
光柄菇属 Pluteus 5 2.39
红菇属 Russula 17 8.13
栓菌属 Trametes 5 2.39
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