TECHNIQUES FOR SELECTION OF LIGHT SOURCE CONFIGURATIONS FOR MATERIAL CHARACTERIZATION

    公开(公告)号:US20220136959A1

    公开(公告)日:2022-05-05

    申请号:US16949601

    申请日:2020-11-05

    Abstract: Techniques for selecting a spectroscopic light source include obtaining a light source dataset and a spectroscopic dataset, initializing a genetic algorithm, selecting a first individual solution and a second individual solution from an initial generation of solutions, generating a new individual solution from the first and second individual solutions by combining their respective chromosome encodings, evaluating a specificity of the new individual solution to a target material, adding the new individual solution to a new generation of solutions, populating the new generation of solutions with a plurality of additional individual solutions, generating one or more descendent generations of solutions by iterating the genetic algorithm, selecting one or more implementation individual solutions exhibiting a threshold specificity to the target material, and outputting the one or more implementation individual solutions.

    TECHNIQUES FOR PREDICTING THE SPECTRA OF MATERIALS USING MOLECULAR METADATA

    公开(公告)号:US20220101276A1

    公开(公告)日:2022-03-31

    申请号:US16948767

    申请日:2020-09-30

    Abstract: A method for generating spectroscopic data includes inputting, by a computing device, a text string comprising a structural representation of a material to an encoder of a natural language processing (NLP) model implemented with a deep neural network. The method includes generating, using the encoder of the NLP model, an encoded representation of the text string. The text string may include latent chemical bond information of the material. The method includes mapping, by the computing device, the encoded representation including the latent chemical bond information to a spectrum array, the spectrum array including predicted spectroscopic data of the material. The method also includes outputting, by the computing device, the spectrum array.

    Techniques for selection of light source configurations for material characterization

    公开(公告)号:US11781972B2

    公开(公告)日:2023-10-10

    申请号:US16949601

    申请日:2020-11-05

    CPC classification number: G01N21/255 G01N21/3563 G01N33/442 G06N3/126

    Abstract: Techniques for selecting a spectroscopic light source include obtaining a light source dataset and a spectroscopic dataset, initializing a genetic algorithm, selecting a first individual solution and a second individual solution from an initial generation of solutions, generating a new individual solution from the first and second individual solutions by combining their respective chromosome encodings, evaluating a specificity of the new individual solution to a target material, adding the new individual solution to a new generation of solutions, populating the new generation of solutions with a plurality of additional individual solutions, generating one or more descendent generations of solutions by iterating the genetic algorithm, selecting one or more implementation individual solutions exhibiting a threshold specificity to the target material, and outputting the one or more implementation individual solutions.

    TECHNIQUES FOR SELECTION OF LIGHT SOURCE CONFIGURATIONS FOR MATERIAL CHARACTERIZATION

    公开(公告)号:US20230324284A1

    公开(公告)日:2023-10-12

    申请号:US18329993

    申请日:2023-06-06

    CPC classification number: G01N21/255 G06N3/126 G01N33/442 G01N21/3563

    Abstract: Techniques for selecting a spectroscopic light source include obtaining a light source dataset and a spectroscopic dataset, initializing a genetic algorithm, selecting a first individual solution and a second individual solution from an initial generation of solutions, generating a new individual solution from the first and second individual solutions by combining their respective chromosome encodings, evaluating a specificity of the new individual solution to a target material, adding the new individual solution to a new generation of solutions, populating the new generation of solutions with a plurality of additional individual solutions, generating one or more descendent generations of solutions by iterating the genetic algorithm, selecting one or more implementation individual solutions exhibiting a threshold specificity to the target material, and outputting the one or more implementation individual solutions.

    Deformulation techniques for deducing the composition of a material from a spectrogram

    公开(公告)号:US11353394B2

    公开(公告)日:2022-06-07

    申请号:US16948760

    申请日:2020-09-30

    Abstract: The present disclosure relates to techniques for deformulating the spectra of arbitrary compound formulations such as polymer formulations into their chemical components. Particularly, aspects of the present disclosure are directed to obtaining an initial set of spectra for a plurality of samples comprising pure samples and composite samples, constructing a basis set of spectra for a plurality of pure samples based on the initial set of spectra, and providing or outputting the basis set of spectrum. The basis set of spectra is constructed in an iterative process that attempts to decompose, using a decomposition algorithm or model, the spectrum from the initial set of spectra in order to differentiate the pure samples from the composite samples. The basis set of spectra may then be used to deduce the composition of a material from a spectrogram.

    Deformulation techniques for deducing the composition of a material from a spectrogram

    公开(公告)号:US11630057B2

    公开(公告)日:2023-04-18

    申请号:US17658765

    申请日:2022-04-11

    Abstract: The present disclosure relates to techniques for deformulating the spectra of arbitrary compound formulations such as polymer formulations into their chemical components. Particularly, aspects of the present disclosure are directed to obtaining an initial set of spectra for a plurality of samples comprising pure samples and composite samples, constructing a basis set of spectra for a plurality of pure samples based on the initial set of spectra, and providing or outputting the basis set of spectrum. The basis set of spectra is constructed in an iterative process that attempts to decompose, using a decomposition algorithm or model, the spectrum from the initial set of spectra in order to differentiate the pure samples from the composite samples. The basis set of spectra may then be used to deduce the composition of a material from a spectrogram.

    DEFORMULATION TECHNIQUES FOR DEDUCING THE COMPOSITION OF A MATERIAL FROM A SPECTROGRAM

    公开(公告)号:US20220236171A1

    公开(公告)日:2022-07-28

    申请号:US17658765

    申请日:2022-04-11

    Abstract: The present disclosure relates to techniques for deformulating the spectra of arbitrary compound formulations such as polymer formulations into their chemical components. Particularly, aspects of the present disclosure are directed to obtaining an initial set of spectra for a plurality of samples comprising pure samples and composite samples, constructing a basis set of spectra for a plurality of pure samples based on the initial set of spectra, and providing or outputting the basis set of spectrum. The basis set of spectra is constructed in an iterative process that attempts to decompose, using a decomposition algorithm or model, the spectrum from the initial set of spectra in order to differentiate the pure samples from the composite samples. The basis set of spectra may then be used to deduce the composition of a material from a spectrogram.

    DEFORMULATION TECHNIQUES FOR DEDUCING THE COMPOSITION OF A MATERIAL FROM A SPECTROGRAM

    公开(公告)号:US20220099566A1

    公开(公告)日:2022-03-31

    申请号:US16948760

    申请日:2020-09-30

    Abstract: The present disclosure relates to techniques for deformulating the spectra of arbitrary compound formulations such as polymer formulations into their chemical components. Particularly, aspects of the present disclosure are directed to obtaining an initial set of spectra for a plurality of samples comprising pure samples and composite samples, constructing a basis set of spectra for a plurality of pure samples based on the initial set of spectra, and providing or outputting the basis set of spectrum. The basis set of spectra is constructed in an iterative process that attempts to decompose, using a decomposition algorithm or model, the spectrum from the initial set of spectra in order to differentiate the pure samples from the composite samples. The basis set of spectra may then be used to deduce the composition of a material from a spectrogram.

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