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The urgency of creating the information-computational systems (ICS) on molecular spectroscopy fol... more The urgency of creating the information-computational systems (ICS) on molecular spectroscopy follows from the circumstance that for some molecules the number of calculated energy levels counts hundreds of thousands, and the number of spectral lines sometimes reaches hundreds ofmillions. Publication of such data volumes in regular journals is inappropriate. Comparison of different calculated spectral characteristics or their comparison with experimental data beyond computer processing is hopeless. We find information systems to be an adequate form for holding such data volumes and a toolkit for handThig them. Correct digital data processing requires appropriate sets ofmetadata arranged in the form ofoiltology ofmolecular spectroscopy.

20th International Symposium on Atmospheric and Ocean Optics: Atmospheric Physics, 2014

An ontological description of molecular states and transitions for quantitative spectroscopy is g... more An ontological description of molecular states and transitions for quantitative spectroscopy is given wherein states and transitions with certain quantum numbers are characterized by all published values of the physical quantities related to six spectroscopic tasks. Sets of statements appearing in the description of states and transitions are examined, and the number of statements employed in descriptions of different types is estimated.

Communications in Computer and Information Science, 2013

An approach to assessing the content trust of information resources based on a publishing criteri... more An approach to assessing the content trust of information resources based on a publishing criterion has been developed and applied to several tens of spectroscopic expert datasets. The results represented as an OWL-ontology are shown to be accessible to programmable agents. The assessments enable the amount of measured and calculated trusted and distrusted data for spectroscopic quantities and ranges of their change in expert datasets to be determined. Building knowledge bases of this kind at virtual data centers intended for data intensive science will provide realization of an automatic selection of spectroscopic information resources exhibiting a high degree of trust.

The information and knowledge layers of information-computational system for water spectroscopy a... more The information and knowledge layers of information-computational system for water spectroscopy are described. Semantic metadata for all the tasks of domain information model that are the basis of the layers have been studied. The principle of semantic metadata determination and mechanisms of the usage during information systematization in molecular spectroscopy has been revealed. The software developed for the work with

Atmospheric and Oceanic Optics, 2012

This work considers the verification, systematization, and publication in the W@DIS information s... more This work considers the verification, systematization, and publication in the W@DIS information system of all published data acquired at the moment by various authors from the analysis of high resolution, ro vibrational spectra of hydrogen sulfide and its isotopologues. The system interface allows prompt and effi cient search for any required information by specified criteria. The W@DIS information system, in its present state, contains the most complete and reliable information on ro vibrational transitions and energy levels of the hydrogen sulfide molecule as compared with other databases. The data systematized in this work may serve as a source of information for problems of theoretical spectroscopy and chemistry, atmospheric prob lems, and other applications.

An idea to develop procedure knowledge domain model in a form of task net in information system h... more An idea to develop procedure knowledge domain model in a form of task net in information system has been proposed. Tasks solutions are interpreted as data. Solution properties are regarded as metadata. Water spectroscopy is a knowledge domain in which a good approximation for task net would be a pair of chains of direct and inverse tasks. In such an approximation data schemes are the basis of knowledge domain conceptualization. Data scheme represents the next level of water spectroscopy representation granulation. The work describes metadata and data schemes for eight tasks of molecular spectroscopy. The importance of results of water spectroscopy is great. Precise and valid information on water is necessary in many applied knowledge domains such as atmospheric optics, astronomy, atmospheric radiation and so on. The report describes metadata and data layer in W@DIS information system oriented on information representation. An important feature of the ICS is its spectral data validit...

Прикладная онтология задач для молекулярной спектроскопии Привезенцев А.И., Фазлиев А.З. Институт... more Прикладная онтология задач для молекулярной спектроскопии Привезенцев А.И., Фазлиев А.З. Институт оптики атмосферы СО РАН, пр.Академический 1, г.Томск 634055, Россия remake@iao.ru, faz@iao.ru Аннотация. В работе представлена прикладная онтология задач молекулярной спектроскопии. Она закодирована средствами OWL и использована для формирования системы вопросов-ответов для информационных ресурсов предметной области, включающих в себя сотни источников данных.

(1) Institute of atmospheric optics SB RAS, Integrated information systems center, Tomsk, Russian... more (1) Institute of atmospheric optics SB RAS, Integrated information systems center, Tomsk, Russian Federation (faz@iao.ru), (2) University College London, London, UK The information and knowledge layers of information-computational system for water spectroscopy are described. Semantic metadata for all the tasks of domain information model that are the basis of the layers have been studied. The principle of semantic metadata determination and mechanisms of the usage during information systematization in molecular spectroscopy has been revealed. The software developed for the work with semantic metadata is described as well.

Показано, что доверие к контенту информационных ресурсов можно оценивать с помощью критерия опубл... more Показано, что доверие к контенту информационных ресурсов можно оценивать с помощью критерия опубликования и разделять ресурсы на доверяемую и сомнительную части. Задача оценки доверия состоит их четырех подзадач: (1) построения мультимножеств физических величин, содержащихся в первичных источниках данных, (2) согласования значений физических величин, (3) формирования количественных ограничений для критерия опубликования в разных интервалах изменения физических величин и (4) декомпозиции экспертных данных. Кратко описаны критерии достоверности спектральных данных и ограничения необходимые для решения задач согласования данных. Представлено табличное представление результатов согласования. На примере вакуумных волновых чисел описаны ограничения характерные для критерия опубликования. Оценки доверия, полученные из решения задачи декомпозиции, представлены в форме OWL-онтологий. Построение онтологической базы знаний подобного типа для виртуальных центров данных в дисциплинах с большими объемами данных измерений обеспечит автоматический выбор информационных ресурсов с высокой степенью доверия.

Annotating the information resources in the frame of XML platform is a topical problem. The forma... more Annotating the information resources in the frame of XML platform is a topical problem. The formation of knowledge base on the basis of formal statements allows one to process semantically the contents of information resources distributed in the Internet with help of the reasoners. In this paper the approach to description of molecular spectroscopy information resources is described. The brief review of data structures and metadata used in molecular spectroscopy is presented. Ontology and knowledge base on molecular spectroscopy, is also discussed.

Atmospheric and Oceanic Optics

A part of the information system for molecular spectroscopy based on problem ontology is describe... more A part of the information system for molecular spectroscopy based on problem ontology is described. Two problems (direct and inverse) of determination of molecular energy levels are considered. The database related to these problems is compiled for two triatomic molecules: water vapor and hydrogen sulfide, as well as their isotopic modifications.

This report describes the stage of cooperated work dedicated to the creation of information sourc... more This report describes the stage of cooperated work dedicated to the creation of information sources and data upload. In the framework of Semantic Grid 8 paradigm for information system creation, its three-layer model has been selected. It consists of data and calculations layer, information layer and knowledge layer. In this article we describe only the data layer. The details of description of information layer and information system (on water spectroscopy) knowledge layer are presented in Ref. 5;6.

Atmospheric and Oceanic Optics

The part of a molecular spectroscopy informational system is described, which is designed on the ... more The part of a molecular spectroscopy informational system is described, which is designed on the basis of applied ontology of tasks. The description is presented of informational models of two tasks (direct and inverse) of finding the transitions used for the building of the informational system. Databases related to these tasks have been populated for the water molecule and its isotopomers.

This paper examines in details the results of the work has done in Ref [1]. The solution properti... more This paper examines in details the results of the work has done in Ref [1]. The solution properties of "Quantitative spectroscopy" domain tasks article are described. OWL DL language is used for the presentation of the properties of tasks' solutions. An applied information sources' ontology on the solutions of direct and inverse tasks on the determination of vacuum wavenumbers in molecular spectroscopy of carbon dioxide and its isotopologues is demonstrated as an example. It is shown that the creation of the information sources characterizing tasks solutions' properties allows one to classify the solutions of quantitative spectroscopy tasks and to organize semantic search of valid data in publications. A short description of peculiarities of the table method used in FACT++ inference engine is presented.

The urgency of creating the information-computational systems (ICS) on molecular spectroscopy fol... more The urgency of creating the information-computational systems (ICS) on molecular spectroscopy follows from the circumstance that for some molecules the number of calculated energy levels counts hundreds of thousands, and the number of spectral lines sometimes reaches hundreds of millions. Publication of such data volumes in regular journals is inappropriate. Comparison of different calculated spectral characteristics or their comparison with experimental data beyond computer processing is hopeless. We consider information systems to be an adequate form for holding such data volumes and a toolkit for handling them. Correct digital data processing requires appropriate sets of metadata arranged in the form of ontology of molecular spectroscopy. First step on the way is task ontology of the molecular spectroscopy. Our information system provides the data on spectral line parameters, water molecule energy levels, and absorption coefficients. Within this distributed IS one can solve two t...

В докладе развито онтологическое описание состояний и переходов молекул в количественной спектрос... more В докладе развито онтологическое описание состояний и переходов молекул в количественной спектроскопии. При таком описании каждом состоянию и переходу с определенными квантовыми числами, соответствуют все опубликованные значения физических величин, относящимися к шести спектроскопическим задачам. Проведено сравнение созданной онтологии с онтологией информационных спектральных ресурсов. An ontological description of molecular states and transitions used in quantitative spectroscopy is developed. Each state or transition is identified by quantum numbers are characterized by a complete set of published values of physical quantities related to six spectroscopic tasks. A comparison of the ontology with ontology of information spectroscopic resources is given.

The urgency of creating the information-computational systems (ICS) on molecular spectroscopy fol... more The urgency of creating the information-computational systems (ICS) on molecular spectroscopy follows from the circumstance that for some molecules the number of calculated energy levels counts hundreds of thousands, and the number of spectral lines sometimes reaches hundreds ofmillions. Publication of such data volumes in regular journals is inappropriate. Comparison of different calculated spectral characteristics or their comparison with experimental data beyond computer processing is hopeless. We find information systems to be an adequate form for holding such data volumes and a toolkit for handThig them. Correct digital data processing requires appropriate sets ofmetadata arranged in the form ofoiltology ofmolecular spectroscopy.

20th International Symposium on Atmospheric and Ocean Optics: Atmospheric Physics, 2014

An ontological description of molecular states and transitions for quantitative spectroscopy is g... more An ontological description of molecular states and transitions for quantitative spectroscopy is given wherein states and transitions with certain quantum numbers are characterized by all published values of the physical quantities related to six spectroscopic tasks. Sets of statements appearing in the description of states and transitions are examined, and the number of statements employed in descriptions of different types is estimated.

Communications in Computer and Information Science, 2013

An approach to assessing the content trust of information resources based on a publishing criteri... more An approach to assessing the content trust of information resources based on a publishing criterion has been developed and applied to several tens of spectroscopic expert datasets. The results represented as an OWL-ontology are shown to be accessible to programmable agents. The assessments enable the amount of measured and calculated trusted and distrusted data for spectroscopic quantities and ranges of their change in expert datasets to be determined. Building knowledge bases of this kind at virtual data centers intended for data intensive science will provide realization of an automatic selection of spectroscopic information resources exhibiting a high degree of trust.

The information and knowledge layers of information-computational system for water spectroscopy a... more The information and knowledge layers of information-computational system for water spectroscopy are described. Semantic metadata for all the tasks of domain information model that are the basis of the layers have been studied. The principle of semantic metadata determination and mechanisms of the usage during information systematization in molecular spectroscopy has been revealed. The software developed for the work with

Atmospheric and Oceanic Optics, 2012

This work considers the verification, systematization, and publication in the W@DIS information s... more This work considers the verification, systematization, and publication in the W@DIS information system of all published data acquired at the moment by various authors from the analysis of high resolution, ro vibrational spectra of hydrogen sulfide and its isotopologues. The system interface allows prompt and effi cient search for any required information by specified criteria. The W@DIS information system, in its present state, contains the most complete and reliable information on ro vibrational transitions and energy levels of the hydrogen sulfide molecule as compared with other databases. The data systematized in this work may serve as a source of information for problems of theoretical spectroscopy and chemistry, atmospheric prob lems, and other applications.

An idea to develop procedure knowledge domain model in a form of task net in information system h... more An idea to develop procedure knowledge domain model in a form of task net in information system has been proposed. Tasks solutions are interpreted as data. Solution properties are regarded as metadata. Water spectroscopy is a knowledge domain in which a good approximation for task net would be a pair of chains of direct and inverse tasks. In such an approximation data schemes are the basis of knowledge domain conceptualization. Data scheme represents the next level of water spectroscopy representation granulation. The work describes metadata and data schemes for eight tasks of molecular spectroscopy. The importance of results of water spectroscopy is great. Precise and valid information on water is necessary in many applied knowledge domains such as atmospheric optics, astronomy, atmospheric radiation and so on. The report describes metadata and data layer in W@DIS information system oriented on information representation. An important feature of the ICS is its spectral data validit...

Прикладная онтология задач для молекулярной спектроскопии Привезенцев А.И., Фазлиев А.З. Институт... more Прикладная онтология задач для молекулярной спектроскопии Привезенцев А.И., Фазлиев А.З. Институт оптики атмосферы СО РАН, пр.Академический 1, г.Томск 634055, Россия remake@iao.ru, faz@iao.ru Аннотация. В работе представлена прикладная онтология задач молекулярной спектроскопии. Она закодирована средствами OWL и использована для формирования системы вопросов-ответов для информационных ресурсов предметной области, включающих в себя сотни источников данных.

(1) Institute of atmospheric optics SB RAS, Integrated information systems center, Tomsk, Russian... more (1) Institute of atmospheric optics SB RAS, Integrated information systems center, Tomsk, Russian Federation (faz@iao.ru), (2) University College London, London, UK The information and knowledge layers of information-computational system for water spectroscopy are described. Semantic metadata for all the tasks of domain information model that are the basis of the layers have been studied. The principle of semantic metadata determination and mechanisms of the usage during information systematization in molecular spectroscopy has been revealed. The software developed for the work with semantic metadata is described as well.

Показано, что доверие к контенту информационных ресурсов можно оценивать с помощью критерия опубл... more Показано, что доверие к контенту информационных ресурсов можно оценивать с помощью критерия опубликования и разделять ресурсы на доверяемую и сомнительную части. Задача оценки доверия состоит их четырех подзадач: (1) построения мультимножеств физических величин, содержащихся в первичных источниках данных, (2) согласования значений физических величин, (3) формирования количественных ограничений для критерия опубликования в разных интервалах изменения физических величин и (4) декомпозиции экспертных данных. Кратко описаны критерии достоверности спектральных данных и ограничения необходимые для решения задач согласования данных. Представлено табличное представление результатов согласования. На примере вакуумных волновых чисел описаны ограничения характерные для критерия опубликования. Оценки доверия, полученные из решения задачи декомпозиции, представлены в форме OWL-онтологий. Построение онтологической базы знаний подобного типа для виртуальных центров данных в дисциплинах с большими объемами данных измерений обеспечит автоматический выбор информационных ресурсов с высокой степенью доверия.

Annotating the information resources in the frame of XML platform is a topical problem. The forma... more Annotating the information resources in the frame of XML platform is a topical problem. The formation of knowledge base on the basis of formal statements allows one to process semantically the contents of information resources distributed in the Internet with help of the reasoners. In this paper the approach to description of molecular spectroscopy information resources is described. The brief review of data structures and metadata used in molecular spectroscopy is presented. Ontology and knowledge base on molecular spectroscopy, is also discussed.

Atmospheric and Oceanic Optics

A part of the information system for molecular spectroscopy based on problem ontology is describe... more A part of the information system for molecular spectroscopy based on problem ontology is described. Two problems (direct and inverse) of determination of molecular energy levels are considered. The database related to these problems is compiled for two triatomic molecules: water vapor and hydrogen sulfide, as well as their isotopic modifications.

This report describes the stage of cooperated work dedicated to the creation of information sourc... more This report describes the stage of cooperated work dedicated to the creation of information sources and data upload. In the framework of Semantic Grid 8 paradigm for information system creation, its three-layer model has been selected. It consists of data and calculations layer, information layer and knowledge layer. In this article we describe only the data layer. The details of description of information layer and information system (on water spectroscopy) knowledge layer are presented in Ref. 5;6.

Atmospheric and Oceanic Optics

The part of a molecular spectroscopy informational system is described, which is designed on the ... more The part of a molecular spectroscopy informational system is described, which is designed on the basis of applied ontology of tasks. The description is presented of informational models of two tasks (direct and inverse) of finding the transitions used for the building of the informational system. Databases related to these tasks have been populated for the water molecule and its isotopomers.

This paper examines in details the results of the work has done in Ref [1]. The solution properti... more This paper examines in details the results of the work has done in Ref [1]. The solution properties of "Quantitative spectroscopy" domain tasks article are described. OWL DL language is used for the presentation of the properties of tasks' solutions. An applied information sources' ontology on the solutions of direct and inverse tasks on the determination of vacuum wavenumbers in molecular spectroscopy of carbon dioxide and its isotopologues is demonstrated as an example. It is shown that the creation of the information sources characterizing tasks solutions' properties allows one to classify the solutions of quantitative spectroscopy tasks and to organize semantic search of valid data in publications. A short description of peculiarities of the table method used in FACT++ inference engine is presented.

The urgency of creating the information-computational systems (ICS) on molecular spectroscopy fol... more The urgency of creating the information-computational systems (ICS) on molecular spectroscopy follows from the circumstance that for some molecules the number of calculated energy levels counts hundreds of thousands, and the number of spectral lines sometimes reaches hundreds of millions. Publication of such data volumes in regular journals is inappropriate. Comparison of different calculated spectral characteristics or their comparison with experimental data beyond computer processing is hopeless. We consider information systems to be an adequate form for holding such data volumes and a toolkit for handling them. Correct digital data processing requires appropriate sets of metadata arranged in the form of ontology of molecular spectroscopy. First step on the way is task ontology of the molecular spectroscopy. Our information system provides the data on spectral line parameters, water molecule energy levels, and absorption coefficients. Within this distributed IS one can solve two t...

В докладе развито онтологическое описание состояний и переходов молекул в количественной спектрос... more В докладе развито онтологическое описание состояний и переходов молекул в количественной спектроскопии. При таком описании каждом состоянию и переходу с определенными квантовыми числами, соответствуют все опубликованные значения физических величин, относящимися к шести спектроскопическим задачам. Проведено сравнение созданной онтологии с онтологией информационных спектральных ресурсов. An ontological description of molecular states and transitions used in quantitative spectroscopy is developed. Each state or transition is identified by quantum numbers are characterized by a complete set of published values of physical quantities related to six spectroscopic tasks. A comparison of the ontology with ontology of information spectroscopic resources is given.