특이값 분해를 이용한 라만 스펙트럼 고속 탐색 알고리즘

Abstract

In this paper, we propose new search algorithms using SVD(Singular Value Decomposition) for fast search of Raman spectrum. In the proposed algorithms, small number of the eigen vectors obtained by SVD are chosen in accordance with their respective significance to achieve computation reduction. By introducing pilot test, we exclude large number of data from search and then, we apply partial distance search(PDS) for further computation reduction. We prepared 14,032 kinds of chemical Raman spectrum as the library for comparisons. Experiments were carried out with 7 methods, that is Full Search, PDS, 1DMPS modified MPS for applying to 1-dimensional space data with PDS(1DMPS+PDS), 1DMPS with PDS by using descending sorted variance of data(1DMPS Sort with Variance+PDS), 250-dimensional components of the SVD with PDS(250SVD+PDS) and proposed algorithms, PSP and PSSP. For exact comparison of computations, we compared the number of multiplications and additions required for each method. According to the experiments, PSSP algorithm shows 64.8% computation reduction when compared with 250SVD+PDS while PSP shows 157% computation reduction.