以類神經網路模式估計高分子之玻璃轉化溫度

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Title:	以類神經網路模式估計高分子之玻璃轉化溫度 A Neural Network Approach to Estimation of Glass Transition Temperature of Polymers
Authors:	楊瑞彬陳文智賴森茂
Contributors:	華岡工程學報
Keywords:	玻璃轉化溫度類神經網路 glass transition temperature artificial neural network
Date:	2011-06
Issue Date:	2014-10-31 14:03:11 (UTC+8)
Abstract:	在本研究中使用了一組四個參數的描述因子，包括：ΣMV(（下標 ter）)R(（下標 ter）)、L（下標 F）、ΔX（下標 SB）和ΣPEI來估計84個高分子的玻璃轉換溫度，並且分別以多元線性迴歸分析與逆傳遞類神經網路來建造玻璃轉換溫度的估計模型。在本文中建立了以4-8-1層架構的最佳類神經網路，經過訓練組的訓練與驗證組的驗證測試，分別得到了均方根誤差為3.3K（R^2=0.9975）與13.9K（R^2=0.9513）的結果。從測試的結果顯示，以類神經網路模式估計高分子的玻璃轉化溫度可以得到非常準確的估計值。 In this article, a set of four-parameter descriptors, ΣMV((subscript ter))R((subscript ter)), L(subscript F), ΔX(subscript SB) and ΣPEI were used to correlate with glass transition temperature T(subscript g) for 84 polymers. Multiple linear regression analysis and back-propagation artificial neural network (ANN) were used to generate the model. The final optimum neural network with 4-8-1 structure produced a training set root mean square error (RMSE) of 3.3k(R^2=0.9975) and a validation set RMSE of 13.9 K(R^2=0.9513). The results show that the ANN model obtained in this paper is accurate in the estimation of T(subscript g) values for polymers.
Relation:	華岡工程學報； 28 期 (2011 / 06 / 01) ， P159 - 166
Appears in Collections:	[College of Engineering] Chinese Culture University Hwa Kang Journal of Engineering

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