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A Method for Solving Computer-Aided Product Design Optimization Problem Based on Back Propagation Neural Network

         

摘要

Because of the powerful mapping ability, back propagation neural network (BP-NN) has been employed in computer-aided product design (CAPD) to establish the property prediction model. The backward problem in CAPD is to search for the appropriate structure or composition of the product with desired property, which is an optimization problem. In this paper, a global optimization method of using the a BB algorithm to solve the backward problem is presented. In particular, a convex lower bounding function is constructed for the objective function formulated with BP-NN model, and the calculation of the key parameter a is implemented by recurring to the interval Hessian matrix of the objective function. Two case studies involving the design of dopamine β-hydroxylase (DβH) inhibitors and linear low density polyethylene (LLDPE) nano composites are investigated using the proposed method.

著录项

  • 来源
    《中国化学工程学报:英文版》 |2004年第4期|510-514|共5页
  • 作者

    周祥; 何小荣; 陈丙珍;

  • 作者单位

    Department of Chemical Engineering;

    Tsinghua University;

    Beijing 100084;

    China;

    Department of Chemical Engineering;

    Tsinghua University;

    Beijing 100084;

    Chinaecause of the powerful mapping ability;

    back propagation neural network (BP-NN) has been employed in computer-aided product design (CAPD) to establish the property prediction model. The backward problem in CAPD is to search for the appropriate structure or composition of the product with desired property;

    which is an optimization problem. In this paper;

    a global optimization method of using the a BB algorithm to solve the backward problem is presented. In particular;

    a convex lower bounding function is constructed for the objective function formulated with BP-NN model;

    and the calculation of the key parameter a is implemented by recurring to the interval Hessian matrix of the objective function. Two case studies involving the design of dopamine β-hydroxylase (DβH) inhibitors and linear low density polyethylene (LLDPE) nano composites are investigated using the proposed method.;

  • 原文格式 PDF
  • 正文语种 chi
  • 中图分类 人工神经网络与计算;
  • 关键词

    计算机辅助设计; CAPD; 矩阵; 产品设计; 优化设计; 化工; 制药; 神经网络; PNN;

    机译:计算机辅助设计;CAPD;矩阵;产品设计;优化设计;化工;制药;神经网络;PNN;
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