Tiantian Pan , Xiaorong Dai , Wei Wang , Yuan Wang , Hang Xiao , Fei Liu
{"title":"基于圆形光谱映射的可见光-近红外光谱图像变换用于颗粒物浓度测量","authors":"Tiantian Pan , Xiaorong Dai , Wei Wang , Yuan Wang , Hang Xiao , Fei Liu","doi":"10.1016/j.aca.2025.344113","DOIUrl":null,"url":null,"abstract":"<div><h3>Background</h3><div>The fine particulate matter (PM<sub>2.5</sub>), one of the most concerned airborne pollutants, significantly impacts air quality and human health. The potential hazard of PM<sub>2.5</sub> related to its concentration, while the traditional methods for PM concentration measuring were expensive, time-consuming, while low-cost sensors often suffer from poor accuracy and stability. Therefore, there is a great need for a rapid, precise and stable measurement method for filter-based PM<sub>2.5</sub>.</div></div><div><h3>Results</h3><div>We propose a novel spectra-image transformation and fusion method for filter-based PM<sub>2.5</sub> measurement using a portable visible near infrared (Vis-NIR) spectrometer. Traditional machine learning models based on spectra alone achieved low accuracy (R<sup>2</sup><sub>p</sub> < 0.8). To improve performance, we introduced the circular spectral mapping (CSM) method to transform PM<sub>2.5</sub> spectra into CSM images, which were processed using ResNet-18, ShuffleNet V2, and MobileNet V2 networks with an attention mechanism module. The optimal model, ShuffleNetV2_Attn, improved R<sup>2</sup><sub>p</sub> to 0.9935. To furtherly improve the model stability, the numerical and graphical feature fusions were conducted, and the ShuffleNetV2_Attn was selected as optimal feature extractor of CSM images. The machine learning models were built based on fusion features, and the optimal model was the partial least squares (PLS) model based on fusion features extracted by successive projections algorithm (SPA), of which the R<sup>2</sup><sub>p</sub>, RMSEP and mean absolute percentage error (MAPE<sub>p</sub>) were 0.9947, 6.0213 μg/m<sup>3</sup> and 4.17 %, demonstrating high accuracy and stability overall concentration range.</div></div><div><h3>Significance</h3><div>The proposed spectra-image transformation and fusion method greatly improved the accuracy and efficiency of filter-based PM<sub>2.5</sub> measurement. It overcome the limitations of spectral-based machine learning methods, which often fail to capture full-band characteristics, and provides a new approach for integrating numerical and graphical spectral information.</div></div>","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"1359 ","pages":"Article 344113"},"PeriodicalIF":5.7000,"publicationDate":"2025-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Vis-NIR spectra-image transformation based on circular spectral mapping for measurement of particulate matter concentration\",\"authors\":\"Tiantian Pan , Xiaorong Dai , Wei Wang , Yuan Wang , Hang Xiao , Fei Liu\",\"doi\":\"10.1016/j.aca.2025.344113\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><h3>Background</h3><div>The fine particulate matter (PM<sub>2.5</sub>), one of the most concerned airborne pollutants, significantly impacts air quality and human health. The potential hazard of PM<sub>2.5</sub> related to its concentration, while the traditional methods for PM concentration measuring were expensive, time-consuming, while low-cost sensors often suffer from poor accuracy and stability. Therefore, there is a great need for a rapid, precise and stable measurement method for filter-based PM<sub>2.5</sub>.</div></div><div><h3>Results</h3><div>We propose a novel spectra-image transformation and fusion method for filter-based PM<sub>2.5</sub> measurement using a portable visible near infrared (Vis-NIR) spectrometer. Traditional machine learning models based on spectra alone achieved low accuracy (R<sup>2</sup><sub>p</sub> < 0.8). To improve performance, we introduced the circular spectral mapping (CSM) method to transform PM<sub>2.5</sub> spectra into CSM images, which were processed using ResNet-18, ShuffleNet V2, and MobileNet V2 networks with an attention mechanism module. The optimal model, ShuffleNetV2_Attn, improved R<sup>2</sup><sub>p</sub> to 0.9935. To furtherly improve the model stability, the numerical and graphical feature fusions were conducted, and the ShuffleNetV2_Attn was selected as optimal feature extractor of CSM images. The machine learning models were built based on fusion features, and the optimal model was the partial least squares (PLS) model based on fusion features extracted by successive projections algorithm (SPA), of which the R<sup>2</sup><sub>p</sub>, RMSEP and mean absolute percentage error (MAPE<sub>p</sub>) were 0.9947, 6.0213 μg/m<sup>3</sup> and 4.17 %, demonstrating high accuracy and stability overall concentration range.</div></div><div><h3>Significance</h3><div>The proposed spectra-image transformation and fusion method greatly improved the accuracy and efficiency of filter-based PM<sub>2.5</sub> measurement. 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Vis-NIR spectra-image transformation based on circular spectral mapping for measurement of particulate matter concentration
Background
The fine particulate matter (PM2.5), one of the most concerned airborne pollutants, significantly impacts air quality and human health. The potential hazard of PM2.5 related to its concentration, while the traditional methods for PM concentration measuring were expensive, time-consuming, while low-cost sensors often suffer from poor accuracy and stability. Therefore, there is a great need for a rapid, precise and stable measurement method for filter-based PM2.5.
Results
We propose a novel spectra-image transformation and fusion method for filter-based PM2.5 measurement using a portable visible near infrared (Vis-NIR) spectrometer. Traditional machine learning models based on spectra alone achieved low accuracy (R2p < 0.8). To improve performance, we introduced the circular spectral mapping (CSM) method to transform PM2.5 spectra into CSM images, which were processed using ResNet-18, ShuffleNet V2, and MobileNet V2 networks with an attention mechanism module. The optimal model, ShuffleNetV2_Attn, improved R2p to 0.9935. To furtherly improve the model stability, the numerical and graphical feature fusions were conducted, and the ShuffleNetV2_Attn was selected as optimal feature extractor of CSM images. The machine learning models were built based on fusion features, and the optimal model was the partial least squares (PLS) model based on fusion features extracted by successive projections algorithm (SPA), of which the R2p, RMSEP and mean absolute percentage error (MAPEp) were 0.9947, 6.0213 μg/m3 and 4.17 %, demonstrating high accuracy and stability overall concentration range.
Significance
The proposed spectra-image transformation and fusion method greatly improved the accuracy and efficiency of filter-based PM2.5 measurement. It overcome the limitations of spectral-based machine learning methods, which often fail to capture full-band characteristics, and provides a new approach for integrating numerical and graphical spectral information.
期刊介绍:
Analytica Chimica Acta has an open access mirror journal Analytica Chimica Acta: X, sharing the same aims and scope, editorial team, submission system and rigorous peer review.
Analytica Chimica Acta provides a forum for the rapid publication of original research, and critical, comprehensive reviews dealing with all aspects of fundamental and applied modern analytical chemistry. The journal welcomes the submission of research papers which report studies concerning the development of new and significant analytical methodologies. In determining the suitability of submitted articles for publication, particular scrutiny will be placed on the degree of novelty and impact of the research and the extent to which it adds to the existing body of knowledge in analytical chemistry.