Fast Spectral Search Using Improved Preprocessing and Limited Axis Check

Efficient and accurate identification of spectra from large databases remains a critical challenge in spectroscopic analysis. Previous coarse-to-fine frameworks, typically combining Principal Component Analysis (PCA)-based preprocessing and k-d tree search, have shown that structured search can reduce computational cost without sacrificing accuracy. Building on this foundation, we propose an enhanced algorithm that integrates an improved preprocessing and a novel limited axis check (LAC) method. The preprocessing stage applies running average filtering, downsampling, and threshold-based noise-cutting, followed by PCA to construct a compact, noise-suppressed spectral representation. In the search stage, the proposed LAC algorithm replaces conventional tree-based structures by performing an axis-wise limited-range search and voting strategy to efficiently locate the candidate spectrum closest to the query within the reduced PCA domain. A subsequent refined search determines the closest spectrum by computing distances to the shortlisted candidates. Experimental results demonstrate that the proposed approach attains accuracy equivalent to that of the full search while markedly reducing computational complexity. These results confirm that the integration of enhanced preprocessing and LAC substantially accelerates the spectral search process.

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Publication Details

Journal
Mathematics
Published
2025-12-14
DOI
https://doi.org/10.3390/math13243983
Primary Topic
Spectroscopy and Chemometric Analyses
Type
article
Field-Weighted Citation Impact
0.00

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article

Fast Spectral Search Using Improved Preprocessing and Limited Axis Check

Tiejun Chen, YoungJae Son, Sung‐June Baek, Myeongjin Kim et al.
Mathematics
Spectroscopy and Chemometric Analyses
article

Fast Spectral Search Using Improved Preprocessing and Limited Axis Check

Tiejun Chen, YoungJae Son, Sung‐June Baek, Myeongjin Kim, Guangyong Shang
article en

Abstract

Efficient and accurate identification of spectra from large databases remains a critical challenge in spectroscopic analysis. Previous coarse-to-fine frameworks, typically combining Principal Component Analysis (PCA)-based preprocessing and k-d tree search, have shown that structured search can reduce computational cost without sacrificing accuracy. Building on this foundation, we propose an enhanced algorithm that integrates an improved preprocessing and a novel limited axis check (LAC) method. The preprocessing stage applies running average filtering, downsampling, and threshold-based noise-cutting, followed by PCA to construct a compact, noise-suppressed spectral representation. In the search stage, the proposed LAC algorithm replaces conventional tree-based structures by performing an axis-wise limited-range search and voting strategy to efficiently locate the candidate spectrum closest to the query within the reduced PCA domain. A subsequent refined search determines the closest spectrum by computing distances to the shortlisted candidates. Experimental results demonstrate that the proposed approach attains accuracy equivalent to that of the full search while markedly reducing computational complexity. These results confirm that the integration of enhanced preprocessing and LAC substantially accelerates the spectral search process.

MathematicsVol. 13(24)
Chonnam National University (KR), Inspur (China) (CN)
Ministry of Science and ICT, South Korea, Samsung, Institute for Information and Communications Technology Promotion, Division of Human Resource Development
Openalex Percentile: Top 57%
Spectroscopy and Chemometric Analyses
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