CA3029739C - Reduced false positive identification for spectroscopic quantification - Google Patents

Reduced false positive identification for spectroscopic quantification

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Publication number
CA3029739C
CA3029739C CA3029739A CA3029739A CA3029739C CA 3029739 C CA3029739 C CA 3029739C CA 3029739 A CA3029739 A CA 3029739A CA 3029739 A CA3029739 A CA 3029739A CA 3029739 C CA3029739 C CA 3029739C
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Prior art keywords
quantification
model
unknown sample
quantification model
spectroscopic
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French (fr)
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CA3029739A1 (en
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Changmeng Hsiung
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Viavi Solutions Inc
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    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C60/00—Computational materials science, i.e. ICT specially adapted for investigating the physical or chemical properties of materials or phenomena associated with their design, synthesis, processing, characterisation or utilisation
    • G—PHYSICS
    • G06—COMPUTING OR CALCULATING; COUNTING
    • G06F—ELECTRIC DIGITAL DATA PROCESSING
    • G06F18/00—Pattern recognition
    • G06F18/20—Analysing
    • G06F18/24—Classification techniques
    • G06F18/241—Classification techniques relating to the classification model, e.g. parametric or non-parametric approaches
    • G06F18/2411—Classification techniques relating to the classification model, e.g. parametric or non-parametric approaches based on the proximity to a decision surface, e.g. support vector machines
    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N21/00—Investigating or analysing materials by the use of optical means, i.e. using sub-millimetre waves, infrared, visible or ultraviolet light
    • G01N21/17—Systems in which incident light is modified in accordance with the properties of the material investigated
    • G01N21/25—Colour; Spectral properties, i.e. comparison of effect of material on the light at two or more different wavelengths or wavelength bands
    • G01N21/31—Investigating relative effect of material at wavelengths characteristic of specific elements or molecules, e.g. atomic absorption spectrometry
    • G01N21/35—Investigating relative effect of material at wavelengths characteristic of specific elements or molecules, e.g. atomic absorption spectrometry using infrared light
    • G01N21/359—Investigating relative effect of material at wavelengths characteristic of specific elements or molecules, e.g. atomic absorption spectrometry using infrared light using near infrared light
    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N21/00—Investigating or analysing materials by the use of optical means, i.e. using sub-millimetre waves, infrared, visible or ultraviolet light
    • G01N21/17—Systems in which incident light is modified in accordance with the properties of the material investigated
    • G01N21/25—Colour; Spectral properties, i.e. comparison of effect of material on the light at two or more different wavelengths or wavelength bands
    • G01N21/255—Details, e.g. use of specially adapted sources, lighting or optical systems
    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N21/00—Investigating or analysing materials by the use of optical means, i.e. using sub-millimetre waves, infrared, visible or ultraviolet light
    • G01N21/17—Systems in which incident light is modified in accordance with the properties of the material investigated
    • G01N21/25—Colour; Spectral properties, i.e. comparison of effect of material on the light at two or more different wavelengths or wavelength bands
    • G01N21/27—Colour; Spectral properties, i.e. comparison of effect of material on the light at two or more different wavelengths or wavelength bands using photo-electric detection ; circuits for computing concentration
    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N21/00—Investigating or analysing materials by the use of optical means, i.e. using sub-millimetre waves, infrared, visible or ultraviolet light
    • G01N21/17—Systems in which incident light is modified in accordance with the properties of the material investigated
    • G01N21/25—Colour; Spectral properties, i.e. comparison of effect of material on the light at two or more different wavelengths or wavelength bands
    • G01N21/31—Investigating relative effect of material at wavelengths characteristic of specific elements or molecules, e.g. atomic absorption spectrometry
    • G—PHYSICS
    • G06—COMPUTING OR CALCULATING; COUNTING
    • G06F—ELECTRIC DIGITAL DATA PROCESSING
    • G06F18/00—Pattern recognition
    • G06F18/20—Analysing
    • G06F18/24—Classification techniques
    • G06F18/243—Classification techniques relating to the number of classes
    • G06F18/2433—Single-class perspective, e.g. one-against-all classification; Novelty detection; Outlier detection
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C20/00—Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
    • G16C20/20—Identification of molecular entities, parts thereof or of chemical compositions
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C20/00—Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
    • G16C20/70—Machine learning, data mining or chemometrics
    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N21/00—Investigating or analysing materials by the use of optical means, i.e. using sub-millimetre waves, infrared, visible or ultraviolet light
    • G01N21/17—Systems in which incident light is modified in accordance with the properties of the material investigated
    • G01N2021/1748—Comparative step being essential in the method
    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N2201/00—Features of devices classified in G01N21/00
    • G01N2201/12—Circuits of general importance; Signal processing
    • G01N2201/129—Using chemometrical methods
    • G—PHYSICS
    • G06—COMPUTING OR CALCULATING; COUNTING
    • G06F—ELECTRIC DIGITAL DATA PROCESSING
    • G06F2218/00—Aspects of pattern recognition specially adapted for signal processing
    • G06F2218/12—Classification; Matching

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  • Engineering & Computer Science (AREA)
  • Physics & Mathematics (AREA)
  • Theoretical Computer Science (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • Data Mining & Analysis (AREA)
  • General Physics & Mathematics (AREA)
  • Spectroscopy & Molecular Physics (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Chemical & Material Sciences (AREA)
  • Health & Medical Sciences (AREA)
  • General Health & Medical Sciences (AREA)
  • Artificial Intelligence (AREA)
  • Evolutionary Computation (AREA)
  • Computer Vision & Pattern Recognition (AREA)
  • Biochemistry (AREA)
  • Immunology (AREA)
  • Analytical Chemistry (AREA)
  • Pathology (AREA)
  • Computing Systems (AREA)
  • Evolutionary Biology (AREA)
  • General Engineering & Computer Science (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Mathematical Physics (AREA)
  • Databases & Information Systems (AREA)
  • Medical Informatics (AREA)
  • Software Systems (AREA)
  • Investigating Or Analysing Materials By Optical Means (AREA)
  • Spectrometry And Color Measurement (AREA)
  • Length Measuring Devices By Optical Means (AREA)
  • Image Analysis (AREA)
  • Debugging And Monitoring (AREA)
CA3029739A 2018-01-26 2019-01-11 Reduced false positive identification for spectroscopic quantification Active CA3029739C (en)

Applications Claiming Priority (4)

Application Number Priority Date Filing Date Title
US201862622641P 2018-01-26 2018-01-26
US62/622,641 2018-01-26
US16/034,901 US11009452B2 (en) 2018-01-26 2018-07-13 Reduced false positive identification for spectroscopic quantification
US16/034,901 2018-07-13

Publications (2)

Publication Number Publication Date
CA3029739A1 CA3029739A1 (en) 2019-07-26
CA3029739C true CA3029739C (en) 2026-07-28

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Family Applications (1)

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CA3029739A Active CA3029739C (en) 2018-01-26 2019-01-11 Reduced false positive identification for spectroscopic quantification

Country Status (8)

Country Link
US (3) US11009452B2 (cg-RX-API-DMAC10.html)
EP (1) EP3517931B1 (cg-RX-API-DMAC10.html)
JP (2) JP7242311B2 (cg-RX-API-DMAC10.html)
KR (1) KR102461384B1 (cg-RX-API-DMAC10.html)
CN (2) CN110084262B (cg-RX-API-DMAC10.html)
CA (1) CA3029739C (cg-RX-API-DMAC10.html)
MX (2) MX2022005667A (cg-RX-API-DMAC10.html)
TW (2) TWI784887B (cg-RX-API-DMAC10.html)

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US10810408B2 (en) 2018-01-26 2020-10-20 Viavi Solutions Inc. Reduced false positive identification for spectroscopic classification
US11656174B2 (en) 2018-01-26 2023-05-23 Viavi Solutions Inc. Outlier detection for spectroscopic classification
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US20230038984A1 (en) * 2021-07-30 2023-02-09 Viavi Solutions Inc. Utilizing prediction thresholds to facilitate spectroscopic classification
WO2023126996A1 (ja) * 2021-12-27 2023-07-06 日本たばこ産業株式会社 植物が含有する所定の成分の量を予測する方法、システム及びプログラム
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TW201935316A (zh) 2019-09-01
TW202223750A (zh) 2022-06-16
CN115293233A (zh) 2022-11-04
CN110084262A (zh) 2019-08-02
MX2022005667A (es) 2022-06-16
MX2019000496A (es) 2019-07-29
JP7242311B2 (ja) 2023-03-20
US11775616B2 (en) 2023-10-03
US20230385383A1 (en) 2023-11-30
EP3517931A1 (en) 2019-07-31
TWI784887B (zh) 2022-11-21
US11009452B2 (en) 2021-05-18
EP3517931B1 (en) 2025-10-22
CN110084262B (zh) 2022-07-05
JP2019148583A (ja) 2019-09-05
TWI759577B (zh) 2022-04-01
KR20190091219A (ko) 2019-08-05
US20190234866A1 (en) 2019-08-01
JP7817147B2 (ja) 2026-02-18
JP2023041065A (ja) 2023-03-23
CA3029739A1 (en) 2019-07-26
KR102461384B1 (ko) 2022-11-01
MX392219B (es) 2025-03-19
US20210215597A1 (en) 2021-07-15
KR20220149498A (ko) 2022-11-08
US12481726B2 (en) 2025-11-25

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