Triplet Network for One-Shot Raman Spectrum Recognition.

IF 2.2 3区 化学 Q2 INSTRUMENTS & INSTRUMENTATION
Bo Wang, Pu Zhang, Wei Zhao, Wenzhen Ren, Xiangping Zhu, Ying Jiao, Qi Liao, Zhen Yao
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引用次数: 0

Abstract

Raman spectroscopy is widely used for material detection due to its specificity, but its application to spectral recognition often faces limitations due to insufficient training data, unlike fields such as image recognition. Traditional machine learning or basic neural networks are commonly used, but they have limited ability to achieve high precision. We have proposed a novel approach that combines the Triplet network (TN) and K-nearest neighbor (KNN) techniques to address this issue. TN maps the Raman spectral sequences to a 128-dimensional Euclidean space to extract features, enabling the features in the new space to more accurately represent the similarities or differences between spectra, and then utilizes the KNN algorithm to perform classification tasks in this feature space. Our method exhibits superior performance in recognizing unknown Raman spectra with minimal training samples per class. We employed a handheld Raman spectrometer with an excitation wavelength of 785 nm to collect the Raman spectra of 36 samples, including 28 safe materials and eight hazardous materials. Using only one spectrum as a support set for each category, the hazardous samples were successfully distinguished from the safe samples with an accuracy of 99.6%. Additionally, our model offers adaptability without requiring exhaustive retraining when adding new prediction classes. In situations with high background fluorescence, the TN performs better in measuring the distance between spectra of the same class than traditional distance measurement methods.

单次拉曼光谱识别的三重网络。
拉曼光谱因其特异性被广泛应用于材料检测,但与图像识别等领域不同,拉曼光谱在光谱识别中的应用往往因训练数据不足而受到限制。传统的机器学习或基本神经网络是常用的,但它们实现高精度的能力有限。我们提出了一种结合三重网络(TN)和k近邻(KNN)技术的新方法来解决这个问题。TN将拉曼光谱序列映射到128维欧氏空间中提取特征,使新空间中的特征能够更准确地表示光谱之间的相似性或差异性,然后利用KNN算法在该特征空间中执行分类任务。我们的方法在识别未知拉曼光谱方面表现出优异的性能,每个类的训练样本最少。我们使用激发波长为785 nm的手持式拉曼光谱仪采集了36个样品的拉曼光谱,其中安全物质28个,有害物质8个。仅使用一个光谱作为每个类别的支持集,就成功地将危险样品与安全样品区分开来,准确率为99.6%。此外,当添加新的预测类时,我们的模型提供了适应性,而不需要详尽的再训练。在高背景荧光的情况下,TN在测量同类光谱之间的距离方面优于传统的距离测量方法。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
Applied Spectroscopy
Applied Spectroscopy 工程技术-光谱学
CiteScore
6.60
自引率
5.70%
发文量
139
审稿时长
3.5 months
期刊介绍: Applied Spectroscopy is one of the world''s leading spectroscopy journals, publishing high-quality peer-reviewed articles, both fundamental and applied, covering all aspects of spectroscopy. Established in 1951, the journal is owned by the Society for Applied Spectroscopy and is published monthly. The journal is dedicated to fulfilling the mission of the Society to “…advance and disseminate knowledge and information concerning the art and science of spectroscopy and other allied sciences.”
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