{"title":"机器学习增强拉曼光谱在低信噪比下快速检测纳米塑料","authors":"Jeonghyun Lim, Dongha Shin","doi":"10.1016/j.snb.2025.138316","DOIUrl":null,"url":null,"abstract":"Raman spectroscopy is widely used to identify substances such as microplastics. As the size decreases to nanoplastics, their numbers are expected to increase, making it crucial to determine how many samples can be analyzed quickly and accurately. However, there is always a trade-off between analysis speed and the signal-to-noise ratio (SNR). Obtaining a low SNR is easy, but such spectra have reduced reliability for identification, while achieving a high SNR necessary for accurate identification inevitably requires longer analysis times. With enhanced artificial intelligence, these challenges can be overcome. In practice, establishing a well-labeled low SNR database is crucial for accurate AI-based substance identification. In this study, we have developed a systematic machine-learning approach to address this issue. To address this, we augmented Raman spectral databases by averaging numerous low-SNR spectra acquired over extremely short exposure times, thereby generating databases with broad SNR ranges. From such a broad database, we effectively distinguished noise from signals by using a combination of unsupervised clustering methods—including autoencoder, PCA, and DBSCAN. Such filtered signals were then used to train Bi-Convolutional Neural Network technique, enhanced with positional encoding and multi-head attention, achieving 99.29% (±0.58%) accuracy in classifying spectra with an SNR close to 2, even with very short Raman measurement times (0.001<!-- --> <!-- -->s). This methodology enables the rapid analysis of nanoplastics and other low-concentration substances, reduces hardware requirements, and has broad applications in fields such as bioprocessing and food analysis. Additionally, this approach can be extended to other spectroscopic methods, accelerating data processing in data-limited environments.","PeriodicalId":425,"journal":{"name":"Sensors and Actuators B: Chemical","volume":"4 1","pages":""},"PeriodicalIF":8.0000,"publicationDate":"2025-07-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Machine Learning-Enhanced Raman Spectroscopy for Fast Nanoplastic Detection at Low SNR\",\"authors\":\"Jeonghyun Lim, Dongha Shin\",\"doi\":\"10.1016/j.snb.2025.138316\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Raman spectroscopy is widely used to identify substances such as microplastics. As the size decreases to nanoplastics, their numbers are expected to increase, making it crucial to determine how many samples can be analyzed quickly and accurately. However, there is always a trade-off between analysis speed and the signal-to-noise ratio (SNR). Obtaining a low SNR is easy, but such spectra have reduced reliability for identification, while achieving a high SNR necessary for accurate identification inevitably requires longer analysis times. With enhanced artificial intelligence, these challenges can be overcome. In practice, establishing a well-labeled low SNR database is crucial for accurate AI-based substance identification. In this study, we have developed a systematic machine-learning approach to address this issue. To address this, we augmented Raman spectral databases by averaging numerous low-SNR spectra acquired over extremely short exposure times, thereby generating databases with broad SNR ranges. From such a broad database, we effectively distinguished noise from signals by using a combination of unsupervised clustering methods—including autoencoder, PCA, and DBSCAN. Such filtered signals were then used to train Bi-Convolutional Neural Network technique, enhanced with positional encoding and multi-head attention, achieving 99.29% (±0.58%) accuracy in classifying spectra with an SNR close to 2, even with very short Raman measurement times (0.001<!-- --> <!-- -->s). This methodology enables the rapid analysis of nanoplastics and other low-concentration substances, reduces hardware requirements, and has broad applications in fields such as bioprocessing and food analysis. Additionally, this approach can be extended to other spectroscopic methods, accelerating data processing in data-limited environments.\",\"PeriodicalId\":425,\"journal\":{\"name\":\"Sensors and Actuators B: Chemical\",\"volume\":\"4 1\",\"pages\":\"\"},\"PeriodicalIF\":8.0000,\"publicationDate\":\"2025-07-11\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Sensors and Actuators B: Chemical\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.1016/j.snb.2025.138316\",\"RegionNum\":1,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"CHEMISTRY, ANALYTICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Sensors and Actuators B: Chemical","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1016/j.snb.2025.138316","RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, ANALYTICAL","Score":null,"Total":0}
Machine Learning-Enhanced Raman Spectroscopy for Fast Nanoplastic Detection at Low SNR
Raman spectroscopy is widely used to identify substances such as microplastics. As the size decreases to nanoplastics, their numbers are expected to increase, making it crucial to determine how many samples can be analyzed quickly and accurately. However, there is always a trade-off between analysis speed and the signal-to-noise ratio (SNR). Obtaining a low SNR is easy, but such spectra have reduced reliability for identification, while achieving a high SNR necessary for accurate identification inevitably requires longer analysis times. With enhanced artificial intelligence, these challenges can be overcome. In practice, establishing a well-labeled low SNR database is crucial for accurate AI-based substance identification. In this study, we have developed a systematic machine-learning approach to address this issue. To address this, we augmented Raman spectral databases by averaging numerous low-SNR spectra acquired over extremely short exposure times, thereby generating databases with broad SNR ranges. From such a broad database, we effectively distinguished noise from signals by using a combination of unsupervised clustering methods—including autoencoder, PCA, and DBSCAN. Such filtered signals were then used to train Bi-Convolutional Neural Network technique, enhanced with positional encoding and multi-head attention, achieving 99.29% (±0.58%) accuracy in classifying spectra with an SNR close to 2, even with very short Raman measurement times (0.001 s). This methodology enables the rapid analysis of nanoplastics and other low-concentration substances, reduces hardware requirements, and has broad applications in fields such as bioprocessing and food analysis. Additionally, this approach can be extended to other spectroscopic methods, accelerating data processing in data-limited environments.
期刊介绍:
Sensors & Actuators, B: Chemical is an international journal focused on the research and development of chemical transducers. It covers chemical sensors and biosensors, chemical actuators, and analytical microsystems. The journal is interdisciplinary, aiming to publish original works showcasing substantial advancements beyond the current state of the art in these fields, with practical applicability to solving meaningful analytical problems. Review articles are accepted by invitation from an Editor of the journal.