Identification and localization of rotational spectra using recurrent neural networks
Abstract
A method of identifying molecular parameters in a complex mixture may include receiving a set of combined transition frequencies and analyzing the set of combined transition frequencies using a first trained artificial neural network to generate a plurality of separated transition frequency sets. Each of the plurality of separated frequency sets may be analyzed using a second trained artificial neural network to generate a respective set of estimated spectral parameters. The method may include identifying a set of molecular parameters corresponding to the set of separated transition frequencies.
- Inventors:
- Issue Date:
- Research Org.:
- Argonne National Laboratory (ANL), Argonne, IL (United States)
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1987181
- Patent Number(s):
- 11594304
- Application Number:
- 16/146,970
- Assignee:
- UChicago Argonne, LLC (Chicago, IL)
- Patent Classifications (CPCs):
-
G - PHYSICS G06 - COMPUTING G06N - COMPUTER SYSTEMS BASED ON SPECIFIC COMPUTATIONAL MODELS
G - PHYSICS G16 - INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS G16C - COMPUTATIONAL CHEMISTRY
- DOE Contract Number:
- AC02-06CH11357
- Resource Type:
- Patent
- Resource Relation:
- Patent File Date: 09/28/2018
- Country of Publication:
- United States
- Language:
- English
Citation Formats
Prozuments, Kirills, Zaleski, Daniel P., and Balaprakash, Prasanna. Identification and localization of rotational spectra using recurrent neural networks. United States: N. p., 2023.
Web.
Prozuments, Kirills, Zaleski, Daniel P., & Balaprakash, Prasanna. Identification and localization of rotational spectra using recurrent neural networks. United States.
Prozuments, Kirills, Zaleski, Daniel P., and Balaprakash, Prasanna. Tue .
"Identification and localization of rotational spectra using recurrent neural networks". United States. https://www.osti.gov/servlets/purl/1987181.
@article{osti_1987181,
title = {Identification and localization of rotational spectra using recurrent neural networks},
author = {Prozuments, Kirills and Zaleski, Daniel P. and Balaprakash, Prasanna},
abstractNote = {A method of identifying molecular parameters in a complex mixture may include receiving a set of combined transition frequencies and analyzing the set of combined transition frequencies using a first trained artificial neural network to generate a plurality of separated transition frequency sets. Each of the plurality of separated frequency sets may be analyzed using a second trained artificial neural network to generate a respective set of estimated spectral parameters. The method may include identifying a set of molecular parameters corresponding to the set of separated transition frequencies.},
doi = {},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2023},
month = {2}
}
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Works referenced in this record:
Adaptive filtering neural network classifier
patent, June 1998
- Engel, Stephen J.; Buckland, Dennis J.
- US Patent Document 5,761,383
Automated assignment of rotational spectra using artificial neural networks
journal, September 2018
- Zaleski, Daniel P.; Prozument, Kirill
- The Journal of Chemical Physics, Vol. 149, Issue 10
Neural network system and methods for analysis of organic materials and structures using spectral data
patent, June 1993
- Meyer, Bernd; Sellers, Jeffrey P.; Thomsen, Jan U.
- US Patent Document 5,218,529
Neural Network Architectures for Linking Biological Sequence Variants Based on Molecular Phenotype, and Systems and Methods Therefor
patent-application, June 2018
- Frey, Brendan; Delong, Andrew
- US Patent Application 15/841106; 20180165412
Artificial intelligence characterizes rotational spectroscopy
journal, September 2018
- Agner, Mary Alexandra
- Scilight, Vol. 2018, Issue 37
Spectral bio-imaging methods for cell classification
patent, November 1999
- Cabib, Dario; Buckwald, Robert A.; Malik, Zvi
- US Patent Document 5,991,028
Microwave spectrometers
patent, August 1996
- Gibson, Colin; Matthews, Ian P.; Samuel, Alan H.
- US Patent Document 5,548,217