Neural network system and methods for analysis of organic materials and structures using spectral data
First Claim
1. Apparatus for analyzing and identifying the structure of a particular organic material by recognizing patterns of information that are characteristic of such materials, the apparatus comprising:
- (a) analytical means for applying energy to the organic material under analysis, sensing transformations in the energy imparted by the material, and producing therefrom spectral information corresponding to the energy transformations and the structure of the material;
(b) means for digitizing a plurality of incremental portions of the spectral information into digital data; and
(c) off-line neural network means for utilizing the digital data to identify the structure of the organic material under analysis, comprising;
(i) an input layer comprising a plurality of input nodes, each of which nodes receives the digital data;
(ii) an output layer hierarchically lower than the input layer comprising a plurality of output nodes, for indicating and identifying the structure of the material under analysis;
(iii) a plurality of synaptic connections, each of which connects a node in a hierarchically higher layer to a plurality of nodes in a hierarchically lower layer and each of which features a synaptic strength value which has been generated during a back-propagation learning process using spectral data from organic materials analogous to the organic material under analysis; and
(iv) each of the nodes featuring a threshold value which has been generated during a back-propagation learning process using spectral data from organic materials analogous to the organic material under analysis.
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Abstract
Apparatus and processes for recognizing and identifying materials. Characteristic spectra are obtained for the materials via spectroscopy techniques including nuclear magnetic resonance spectroscopy, infrared absorption analysis, x-ray analysis, mass spectroscopy and gas chromatography. Desired portions of the spectra may be selected and then placed in proper form and format for presentation to a number of input layer neurons in an offline neural network. The network is first trained according to a predetermined training process; it may then be employed to identify particular materials. Such apparatus and processes are particularly useful for recognizing and identifying organic compounds such as complex carbohydrates, whose spectra conventionally require a high level of training and many hours of hard work to identify, and are frequently indistinguishable from one another by human interpretation.
327 Citations
57 Claims
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1. Apparatus for analyzing and identifying the structure of a particular organic material by recognizing patterns of information that are characteristic of such materials, the apparatus comprising:
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(a) analytical means for applying energy to the organic material under analysis, sensing transformations in the energy imparted by the material, and producing therefrom spectral information corresponding to the energy transformations and the structure of the material; (b) means for digitizing a plurality of incremental portions of the spectral information into digital data; and (c) off-line neural network means for utilizing the digital data to identify the structure of the organic material under analysis, comprising; (i) an input layer comprising a plurality of input nodes, each of which nodes receives the digital data; (ii) an output layer hierarchically lower than the input layer comprising a plurality of output nodes, for indicating and identifying the structure of the material under analysis; (iii) a plurality of synaptic connections, each of which connects a node in a hierarchically higher layer to a plurality of nodes in a hierarchically lower layer and each of which features a synaptic strength value which has been generated during a back-propagation learning process using spectral data from organic materials analogous to the organic material under analysis; and (iv) each of the nodes featuring a threshold value which has been generated during a back-propagation learning process using spectral data from organic materials analogous to the organic material under analysis. - View Dependent Claims (2, 3, 4, 5, 6, 7)
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8. Apparatus for analyzing and identifying the structure of a particular organic material by recognizing patterns of information that are characteristic of such materials, the apparatus comprising:
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(a) analytical means for applying energy to the organic material under analysis, sensing transformations in the energy imparted by the material, and producing therefrom spectral information corresponding to the energy transformations and the structure of the material; (b) means for digitizing a plurality of incremental portions of the spectral information into digital data; and (c) off-line neural network means for utilizing the digital data to identify the structure of the organic material under analysis, comprising; (i) an input layer comprising a plurality of input nodes, each of which nodes receives the digital data; (ii) an output layer hierarchically lower than the input layer comprising a plurality of output nodes, for indicating and identifying the structure of the material under analysis; (iii) at least one hidden layer hierarchically intermediate the input and output layers comprising a plurality of hidden nodes; (iv) a plurality of synaptic connections, each of which connects a node in a hierarchically higher layer to a plurality of nodes in a hierarchically lower layer and each of which features a synaptic strength value which has been generated during a back-propagation learning process using spectral data from organic materials analogous to the organic material under analysis; and (v) each of the nodes featuring a threshold value which has been generated during a back propagation learning process using spectral data from organic materials analogous to the organic material under analysis. - View Dependent Claims (9, 10, 11, 12, 13, 14)
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15. Apparatus for analyzing and identifying the structure of a particular organic material by recognizing patterns in spectra that are characteristic of such materials, the apparatus comprising:
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(a) spectroscopy analytical means for applying radiation energy to the organic material under analysis, sensing transformations in the energy imparted by the material, and producing therefrom spectral information corresponding to the energy transformations and the structure of the material; (b) means for digitizing a plurality of incremental portions of the spectral information into digital data; and (c) off-line neural network means for utilizing the spectral information to identify the structure of the organic material under analysis, comprising; (i) an input layer comprising a plurality of input nodes, each of which nodes receives digital data corresponding to an incremental portion of the spectral information; (ii) an output layer hierarchically lower than the input layer comprising a plurality of output nodes, for indicating and identifying the structure of the material under analysis; (iii) at least one hidden layer hierarchically intermediate the input and output layers comprising a plurality of hidden nodes; (iv) a plurality of synaptic connections, each of which connects a node in a hierarchically higher layer to a plurality of nodes in a hierarchically lower layer and each of which features a synaptic strength value which has been generated during a back-propagation learning process using spectral data from organic materials analogous to the organic material under analysis; and (v) each of the nodes feature a threshold value which has been generated during a back propagation learning process using spectral data from organic materials analogous to the organic material under analysis. - View Dependent Claims (16, 17, 18, 19, 20, 21, 22, 23)
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24. Apparatus for analyzing and identifying the structure of a particular carbohydrate material by recognizing patterns in spectra that are characteristic of such materials, the apparatus comprising:
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(a) magnetic resonance analytical means for subjecting the carbohydrate material under analysis to a magnetic field and radio-frequency radiation, and producing spectral information corresponding to the absorption of the radiation and the structure of the material; (b) means for digitizing a plurality of incremental portions of the spectral information into digital data; and (c) off-line neural network means for utilizing the spectral information to identify the structure of the material under analysis, comprising; (i) an input layer comprising a plurality of input nodes, each of which nodes receives digital data corresponding to an incremental portion of the spectral information; (ii) an output layer hierarchically lower than the input layer comprising a plurality of output nodes, for indicating and identifying the structure of the material under analysis; (iii) at least one hidden layer hierarchically intermediate the input and output layers comprising a plurality of hidden nodes; (iv) a plurality of synaptic connections, each of which connects a node in a hierarchically higher layer to a plurality of nodes in a hierarchically lower layer and each of which features a synaptic strength value which has been generated during a back-propagation learning process using spectral data from carbohydrate materials analogous to the material under analysis; and (v) each of the nodes featuring a threshold value which has been generated during a back propagation learning process using spectral data from carbohydrate materials analogous to the material under analysis.
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25. A method for analyzing and identifying the structure of a particular organic material by recognizing patterns in spectra that are characteristic of such materials, comprising the steps of:
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(a) subjecting an organic material under analysis to energy in an analytical means; (b) sensing transformations in the energy imparted by the material; (c) producing spectral information corresponding to the energy transformations and the structure of the material; (d) digitizing a plurality of incremental portions of the spectral information; (e) supplying at least one off-line neural network which comprises; (i) an input layer comprising a plurality of input nodes, each of which is capable of receiving digital data corresponding to an incremental portion of the spectral information; (ii) an output layer hierarchically lower than the input layer comprising a plurality of output nodes, for indicating and identifying the structure of the material under analysis; (iii) a plurality of synaptic connections, each of which connects a node in a hierarchically higher layer to a plurality of nodes in a hierarchically lower layer; and
each of which features a synaptic strength value which has been generated during a back-propagation learning process using spectral data from organic materials analogous to the organic material under analysis; and(iv) each of the nodes featuring a threshold value which has been generated during a back propagation learning process using spectral data from organic materials analogous to the organic material under analysis and (f) applying the digital data corresponding to incremental portions of the spectral information relating to the material under analysis to the input nodes of the neural network in order to generate at the output nodes information that is useful to indicate and identify the structure of the material under analysis. - View Dependent Claims (26, 27, 28, 29, 30, 31, 32, 33, 34, 56)
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35. A method for analyzing and identifying the structure of a particular carbohydrate material by recognizing patterns in spectra that are characteristic of such materials, comprising the steps of:
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(a) subjecting a carbohydrate material under analysis to energy in a spectroscopy analytical means; (b) sensing transformations in the energy imparted by the material; (c) producing spectral information corresponding to the energy transformations and the structure of the material; (d) selecting portions of the spectral information which are desired for use in identifying the structure of the material; (e) digitizing a plurality of incremental portions of the selected spectral information; (f) supplying at least one off-line neural network which comprises; (i) an input layer comprising a plurality of input nodes, each of which is capable of receiving digital data corresponding to an incremental portion of the spectral information; (ii) an output layer hierarchically lower than the input layer comprising a plurality of output nodes, for indicating and identifying the structure of the material under analysis; (iii) at least one hidden layer hierarchically intermediate the input and output layers comprising a plurality of hidden nodes; (iv) a plurality of synaptic connections, each of which connects a node in a hierarchically higher layer to a plurality of nodes in a hierarchically lower layer; and
each of which features a synaptic strength value which has been generated during a back-propagation learning process using spectral data from carbohydrate materials analogous to the carbohydrate material under analysis; and(v) each of the nodes featuring a threshold value which has been generated during a back propagation learning process using spectral data from carbohydrate materials analogous to the carbohydrate material under analysis; and (g) applying the digital data corresponding to incremental portions of the spectral information relating to the material under analysis to the input nodes of the neural network in order to generate at the output nodes information that is useful to indicate and identify the structure of the material under analysis. - View Dependent Claims (36, 37, 38, 39, 40, 41, 57)
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42. A method for analyzing and identifying the structure of a particular organic material by recognizing patterns in free induction decay information that are characteristic of such materials, comprising the steps of:
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(a) subjecting the organic material under analysis to energy in a nuclear magnetic resonance device; (b) sensing transformations in the energy imparted by the material; (c) producing free induction decay information corresponding to the energy transformations and the structure of the material; (d) selecting portions of the free induction decay information which are desired for use in identifying the material; (e) digitizing a plurality of incremental portions of the selected free induction decay information; (f) supplying an off-line neural network which comprises; (i) an input layer comprising a plurality of input nodes, each of which is capable of receiving digital data corresponding to an incremental portion of the free induction decay information; (ii) an output layer hierarchically lower than the input layer comprising a plurality of output nodes, for indicating and identifying the structure of the material under analysis; (iii) a plurality of synaptic connections, each of which connects a node in a hierarchically higher layer to a plurality of nodes in a hierarchically lower layer; and
each of which features a synaptic strength value which has been generated during a back-propagation learning process using spectral data from organic materials analogous to the organic material under analysis; and(iv) each of the nodes featuring a threshold value which has been generated during a back propagation learning process using spectral data from organic materials analogous to the organic material under analysis; and (g) applying the digital data corresponding to incremental portions of the free induction decay information relating to the material to the input nodes of the off-line neural network in order to generate at the output nodes information that is useful to indicate and identify the structure of the material under analysis. - View Dependent Claims (43)
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44. A method for analyzing and identifying the structure of a particular organic material by recognizing patterns in spectral information that are characteristic of such materials, comprising the steps of:
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(a) subjecting the organic material under analysis to energy in at least two analytical means; (b) sensing transformations in the energy imparted by the material; (c) producing spectral information corresponding to the energy transformations and the structure of the material; (d) selecting portions of the spectral information which are desired for use in identifying the material; (e) digitizing a plurality of incremental portions of the selected spectral information; (f) supplying at least one off-line neural network which comprises; (i) at least one input layer comprising a plurality of input nodes, each of which is capable of receiving digital data corresponding to an incremental portion of the spectral information; (ii) an output layer hierarchically lower than the input layer comprising a plurality of output nodes, for indicating and identifying the structure of the material under analysis; and (iii) a plurality of synaptic connections, each of which connects a node in a hierarchically higher layer to a plurality of nodes in a hierarchically lower layer; and
each of which features a synaptic strength value which has been generated during a back-propagation learning process using spectral data from organic materials analogous to the organic material under analysis; and(iv) each of the nodes featuring a threshold value which has been generated during a back propagation learning process using spectral data from organic materials analogous to the organic material under analysis; and (g) applying the digital data corresponding to incremental portions of the spectral information relating to the material to the input nodes of the off-line neural network in order generate information at the output nodes that is useful to indicate and identify the structure of the material under analysis. - View Dependent Claims (45, 46, 47, 48, 49)
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50. A method for analyzing and identifying the structure of a particular organic material by recognizing patterns in spectral information that are characteristic of such materials, comprising the steps of:
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(a) subjecting the organic material under analysis to a first and a second type of energy in at least one spectroscopy device; (b) sensing transformations in the energy imparted by the material in the device; (c) producing a first and second set of spectral information corresponding to the transformations in the first and second energy types and to the structure of the material; (d) selecting portions of the spectral information which are desired for use in identifying the material; (e) digitizing a plurality of incremental portions of the selected spectral information; (f) supplying at least one off-line neural network which comprises; (i) at least one input layer comprising a plurality of input nodes, each of which is capable of receiving digital data corresponding to an incremental portion of the spectral information; (ii) an output layer hierarchically lower than the input layer comprising a plurality of output nodes, for indicating and identifying the structure of the material under analysis; (iii) a plurality of synaptic connections, each of which connects a node in a hierarchically higher layer to a plurality of nodes in a hierarchically lower layer; and
each of which features a synaptic strength value which has been generated during a back-propagation learning process using spectral data from organic materials analogous to the organic material under analysis; and(iv) each of the nodes featuring a threshold value which has been generated during a back propagation learning process using spectral data from organic materials analogous to the organic material under analysis; and (g) applying the digital data corresponding to incremental portions of the spectral information relating to the material to the input nodes of the neural network in order to generate information at the output nodes that is useful to indicate and identify the structure of the material under analysis. - View Dependent Claims (51, 52, 53, 54, 55)
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Specification