高分子结构预测问题是目前国际上最热门的研究课题之一,它具有重要的理论意义和实用价值。本文探讨了其中的一类热门模型:势能函数模型。根据目前研究的现状和存在的不足,首次提出了求解该问题的直接搜索算法。首先,本文根据模型的特点改进了筛选子,然后优化了相应的算法。其次,本文进行的数值试验证了该方法的可行性和有效性。与其他方法相比,新算法针对大规模问题的求解具有明显的优势。
The macromolecular structure prediction problem is one of worldwide popular research topics with significant theoretical and industrial importance in recent years. In this paper, a modified direct search method based on the filter technique for solving macromolecular structure prediction problems is proposed. First, we modify the filter according to the characteristic of the macromolecular structure model and improve the corresponding approach. Then numerical experiments show the e?ectiveness of the proposed method. Especially, the proposed approach on solving higher dimensional problems is exceptional.