Method and system for compression-based spectral identification

The system compresses unknown spectra into latent space for efficient spectral identification, addressing inefficiencies in large spectral library searches by reducing data processing and storage needs, enabling faster and more accurate chemical composition determination.

JP2026110573APending Publication Date: 2026-07-02THERMO ELECTRONICS SCI INSTR LLC

Patent Information

Authority / Receiving Office
JP · JP
Patent Type
Applications
Current Assignee / Owner
THERMO ELECTRONICS SCI INSTR LLC
Filing Date
2025-12-19
Publication Date
2026-07-02

AI Technical Summary

Technical Problem

Spectral library searches are inefficient due to large library sizes, leading to long search times and high memory requirements, making them unsuitable for local storage on computing devices or scientific instruments.

Method used

A system that compresses unknown spectra into latent space using an encoder and matches them with compressed known spectra, reducing data processing and storage needs, while maintaining accuracy through preprocessing and using a decoder for full spectrum retrieval.

Benefits of technology

Facilitates faster and more scalable spectral identification by reducing computational and storage requirements, improving search speed and accuracy without the need for a local spectral library.

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Abstract

This invention provides a method and system for determining sample composition based on spectral data. [Solution] A scientific instrument for performing spectral analysis comprises a memory for storing computer executable instructions and a processor for executing computer executable instructions, wherein the computer executable instructions perform a first operation using an encoder to compress one or more unknown spectra into one or more compressed unknown spectra in latent space, and a second operation to match one or more compressed unknown spectra with one or more compressed known spectra in order to obtain one or more candidate matches of a sample.
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