使用机器学习方法对韩国传统纸张特性进行预测建模(第二部分):使用随机森林预测羰基含量和分析变量重要性

Kang-Jae Kim, Jin-Ho Kim, Geunyong Park, Myung-Joon Jeong
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引用次数: 0

摘要

本文介绍了一种利用红外光谱数据训练的随机森林回归模型,用于预测韩纸中羰基的含量。随机森林模型对羰基含量的预测效果优于偏最小二乘模型。为了优化预测的红外光谱范围,将光谱范围从4000-400 cm-1的整个范围限制到1800-1200 cm-1的较窄范围,以其适合表征纸张性能而知名。这一限制提高了模型的确定系数,使其从0.921提高到0.937。然后应用排列变量重要性度量来确定对羰基含量预测有贡献的关键光谱区域。分析指出,1650-1350厘米-1的范围是准确预测的关键区域。随后,利用该重要区域的数据建立了新的预测模型,对原始光谱和二阶导数光谱的决定系数分别提高到0.960和0.965。这些发现肯定了置换变量重要性测度所识别的关键区域的有效性和显著性。所建立的模型在训练集中羰基含量为7.2 ~ 29.4 μmol/g的范围内具有良好的预测性能。
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Predictive Modeling of Korean Traditional Paper Characteristics Using Machine Learning Approaches (Part 2): Prediction of Carbonyl Content and Analysis of Variable Importance Using Random Forest
This paper introduces a random forest regression model trained with infrared spectral data to predict the carbonyl content of Hanji, a traditional Korean paper. The random forest model demonstrated excellent performance in carbonyl content prediction, surpassing the results obtained from the partial least squares model. To optimize the infrared spectral range for prediction, the spectral range was restricted from the entire range of 4000-400 cm-1 to the narrower range of 1800-1200 cm-1, known for its suitability in characterizing paper properties. This limitation enhanced the coefficients of determination of the model, increasing it from 0.921 to 0.937. A permutation variable importance measure was then applied to identify the key spectral regions contributing to carbonyl content prediction. The analysis pinpointed the 1650-1350 cm-1 range as a crucial region for accurate predictions. Subsequently, a new prediction model was built using data exclusively from this important region, yielding remarkably improved coefficients of determination of 0.960 and 0.965 for the raw and second derivative spectra, respectively. These findings affirm the validity and significance of the critical region identified by the permutation variable importance measure. The predictive performance of the established models is valid within the range of 7.2 to 29.4 μmol/g of carbonyl content in the training set.
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39
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