Yao Li , Zexuan Dong , Nan Ma , Yuanbin Wang , Minchao Cui , Ming Luo
{"title":"激光诱导击穿光谱(LIBS)和拉曼光谱多阶矩融合用于矿物分类","authors":"Yao Li , Zexuan Dong , Nan Ma , Yuanbin Wang , Minchao Cui , Ming Luo","doi":"10.1016/j.sab.2025.107302","DOIUrl":null,"url":null,"abstract":"<div><div>Traditional laser-induced breakdown spectroscopy (LIBS) methods rely primarily on spectral intensity, overlooking the rich statistical information embedded in higher-order moment features such as mean, variance, skewness, and kurtosis. This limitation hinders both the accuracy and generalizability of LIBS in analyzing complex mineral samples. To address this challenge, we introduce a novel approach that extracts and integrates multi-order moment features to enhance spectral representation and improve classification performance. Specifically, we compute higher-order statistical moments from LIBS spectra and standardize them using <em>Z</em>-score normalization to eliminate dimensional bias. A random forest model is then used to assign feature importance weights, guiding the feature fusion process. The resulting LIBS features are further fused at the feature level with Raman spectral data, allowing for multi-parameter representation of each sample. A neural network classifier is subsequently employed to evaluate the model's performance. Experimental results demonstrate that our fusion-based method achieves classification accuracy, precision, and specificity exceeding 99 %, significantly outperforming conventional LIBS-based approaches, which attain only 83.11 % accuracy. These findings highlight the effectiveness of multi-order moment fusion in enhancing spectral analysis of complex samples, and demonstrate its broad potential for applications in mineral identification and beyond.</div></div>","PeriodicalId":21890,"journal":{"name":"Spectrochimica Acta Part B: Atomic Spectroscopy","volume":"233 ","pages":"Article 107302"},"PeriodicalIF":3.8000,"publicationDate":"2025-08-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Multi-order moment fusion of laser-induced breakdown spectroscopy (LIBS) and Raman spectroscopy for mineral classification\",\"authors\":\"Yao Li , Zexuan Dong , Nan Ma , Yuanbin Wang , Minchao Cui , Ming Luo\",\"doi\":\"10.1016/j.sab.2025.107302\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>Traditional laser-induced breakdown spectroscopy (LIBS) methods rely primarily on spectral intensity, overlooking the rich statistical information embedded in higher-order moment features such as mean, variance, skewness, and kurtosis. This limitation hinders both the accuracy and generalizability of LIBS in analyzing complex mineral samples. To address this challenge, we introduce a novel approach that extracts and integrates multi-order moment features to enhance spectral representation and improve classification performance. Specifically, we compute higher-order statistical moments from LIBS spectra and standardize them using <em>Z</em>-score normalization to eliminate dimensional bias. A random forest model is then used to assign feature importance weights, guiding the feature fusion process. The resulting LIBS features are further fused at the feature level with Raman spectral data, allowing for multi-parameter representation of each sample. A neural network classifier is subsequently employed to evaluate the model's performance. Experimental results demonstrate that our fusion-based method achieves classification accuracy, precision, and specificity exceeding 99 %, significantly outperforming conventional LIBS-based approaches, which attain only 83.11 % accuracy. These findings highlight the effectiveness of multi-order moment fusion in enhancing spectral analysis of complex samples, and demonstrate its broad potential for applications in mineral identification and beyond.</div></div>\",\"PeriodicalId\":21890,\"journal\":{\"name\":\"Spectrochimica Acta Part B: Atomic Spectroscopy\",\"volume\":\"233 \",\"pages\":\"Article 107302\"},\"PeriodicalIF\":3.8000,\"publicationDate\":\"2025-08-20\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Spectrochimica Acta Part B: Atomic Spectroscopy\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0584854725001879\",\"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 B: Atomic Spectroscopy","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0584854725001879","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"SPECTROSCOPY","Score":null,"Total":0}
Multi-order moment fusion of laser-induced breakdown spectroscopy (LIBS) and Raman spectroscopy for mineral classification
Traditional laser-induced breakdown spectroscopy (LIBS) methods rely primarily on spectral intensity, overlooking the rich statistical information embedded in higher-order moment features such as mean, variance, skewness, and kurtosis. This limitation hinders both the accuracy and generalizability of LIBS in analyzing complex mineral samples. To address this challenge, we introduce a novel approach that extracts and integrates multi-order moment features to enhance spectral representation and improve classification performance. Specifically, we compute higher-order statistical moments from LIBS spectra and standardize them using Z-score normalization to eliminate dimensional bias. A random forest model is then used to assign feature importance weights, guiding the feature fusion process. The resulting LIBS features are further fused at the feature level with Raman spectral data, allowing for multi-parameter representation of each sample. A neural network classifier is subsequently employed to evaluate the model's performance. Experimental results demonstrate that our fusion-based method achieves classification accuracy, precision, and specificity exceeding 99 %, significantly outperforming conventional LIBS-based approaches, which attain only 83.11 % accuracy. These findings highlight the effectiveness of multi-order moment fusion in enhancing spectral analysis of complex samples, and demonstrate its broad potential for applications in mineral identification and beyond.
期刊介绍:
Spectrochimica Acta Part B: Atomic Spectroscopy, is intended for the rapid publication of both original work and reviews in the following fields:
Atomic Emission (AES), Atomic Absorption (AAS) and Atomic Fluorescence (AFS) spectroscopy;
Mass Spectrometry (MS) for inorganic analysis covering Spark Source (SS-MS), Inductively Coupled Plasma (ICP-MS), Glow Discharge (GD-MS), and Secondary Ion Mass Spectrometry (SIMS).
Laser induced atomic spectroscopy for inorganic analysis, including non-linear optical laser spectroscopy, covering Laser Enhanced Ionization (LEI), Laser Induced Fluorescence (LIF), Resonance Ionization Spectroscopy (RIS) and Resonance Ionization Mass Spectrometry (RIMS); Laser Induced Breakdown Spectroscopy (LIBS); Cavity Ringdown Spectroscopy (CRDS), Laser Ablation Inductively Coupled Plasma Atomic Emission Spectroscopy (LA-ICP-AES) and Laser Ablation Inductively Coupled Plasma Mass Spectrometry (LA-ICP-MS).
X-ray spectrometry, X-ray Optics and Microanalysis, including X-ray fluorescence spectrometry (XRF) and related techniques, in particular Total-reflection X-ray Fluorescence Spectrometry (TXRF), and Synchrotron Radiation-excited Total reflection XRF (SR-TXRF).
Manuscripts dealing with (i) fundamentals, (ii) methodology development, (iii)instrumentation, and (iv) applications, can be submitted for publication.