Geofingerprinting of Coltan Using Handheld Spectroscopic Devices

IF 16.4 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY
Samuel Kessinger, Jon Kellar, Prasoon Diwakar
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引用次数: 0

Abstract

Following the enactment of the Dodd-Frank Act in 2010, specifically Sect. 1502, US companies have been required to report utilizing conflict minerals from the Democratic Republic of Congo (DRC). The conflict mineral coltan, an ore consisting of elements tantalum and niobium, is central to this issue and engenders the need to track and trace the mineral’s supply chain. X-ray fluorescence (XRF) and laser-induced breakdown spectroscopy (LIBS) have been used, in combination with both unsupervised and supervised machine learning, to accurately classify coltan samples with known provenances. Sample spectra were first used as input data into unsupervised machine learning clustering algorithms, upon which dendrogram and constellation plots were generated. The classification achieved via unsupervised machine learning provided the proof of concept necessary to further investigate classification using supervised machine learning algorithms. The sample’s raw spectra were then used to train a supervised machine learning algorithm, consisting of a voting classifier relying on the results from random forest classifier (RFC), linear regression classifier (LRC), support vector classifier (SVC), and multi-layer perceptron classifier (MLPC). The classification achieved using raw spectra was able to achieve accuracies up to ~ 97%. The samples’ raw spectra were pre-processed using principal component analysis (PCA), and the pre-processed data was fed into the same supervised machine learning classifier described above. Accuracies of ~ 98% and ~ 96%, respectively, were achieved. When reviewing the predicted classifications arising from the use of these two different types of spectra, specifically reviewing the confidence score associated with each predicted provenance classification, it was possible to account for the incorrect provenance classifications returned by the voting classifier. If the predicted provenance and associated confidence score obtained via each spectra type was compared to the resulting provenance prediction and confidence score obtained by the other spectra type, and only the prediction with the higher associated confidence score was used, classification accuracies of 100% could be achieved.

Abstract Image

使用手持式光谱设备对钶钽铁矿石进行地理指纹识别
多德-弗兰克法案》(Dodd-Frank Act)于 2010 年颁布,特别是第 1502 条规定,美国公司必须报告使用来自刚果民主共和国(DRC)的冲突矿产的情况。冲突矿产钶钽铁矿石是由钽和铌元素组成的矿石,它是这一问题的核心,因此需要跟踪和追溯该矿产的供应链。X 射线荧光 (XRF) 和激光诱导击穿光谱 (LIBS) 与无监督和有监督机器学习相结合,用于对已知产地的钶钽铁矿样品进行精确分类。样品光谱首先被用作无监督机器学习聚类算法的输入数据,然后生成树枝图和星座图。通过无监督机器学习实现的分类为进一步研究使用有监督机器学习算法进行分类提供了必要的概念验证。样本的原始光谱随后被用于训练有监督机器学习算法,该算法由投票分类器组成,投票分类器依赖于随机森林分类器(RFC)、线性回归分类器(LRC)、支持向量分类器(SVC)和多层感知器分类器(MLPC)的结果。使用原始光谱进行分类的准确率高达约 97%。使用主成分分析(PCA)对样本的原始光谱进行预处理,并将预处理后的数据输入上述相同的监督机器学习分类器。准确率分别达到约 98% 和约 96%。在审查使用这两种不同类型光谱所产生的预测分类时,特别是审查与每个预测出处分类相关的置信度分数时,有可能解释投票分类器返回的错误出处分类。如果将通过每种光谱类型获得的预测出处和相关置信度分数与通过另一种光谱类型获得的出处预测和置信度分数进行比较,并只使用置信度分数较高的预测结果,分类准确率可达到 100%。
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来源期刊
Accounts of Chemical Research
Accounts of Chemical Research 化学-化学综合
CiteScore
31.40
自引率
1.10%
发文量
312
审稿时长
2 months
期刊介绍: Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance. Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.
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