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Интеграция информационных систем в области неорганической химии и материаловедения

Information systems on inorganic substances and materials properties integration actuality is grounded. It's noted that consolidation is possible on basis of subject domain formalization only. The paper introduces principal terms definitions and proposes high-level formalization of information systems on inorganic substances properties contents by means of three models: verbal, set-theoretical and object-oriented.
The article is devoted to developing a convenient extendable software system for outliers detection in data. The developed information system is based on the use of statistical analysis and machine learning methods to find suspicious values in data and the use of Web technologies and micro-service architecture to implement the user interface and system extensibility. As a development result, a software system was implemented that can analyze multidimensional numerical data and find outliers in them using a set of customizable analysis methods with the opportunity to vote algorithms. New algorithms could be easily added to the system as microservices interacting with the parent Web-service. End users can access the system through the Web application using any Web browser. The developed system can be used in data analysis and to process experimental results, which can potentially contain errors. This delivers the necessary degree of automation for an expert analyzing the data correctness.
Yetnonsynthesized compounds of the compositions A2BHal5, A3BHal6, and ABHal4 in systems of mono and trivalent metal halides were predicted, and so was the type of their crystal structure under nor mal conditions. The calculations were performed by precedentbased pattern recognition methods using a special system for computer design of inorganic compounds. The new compounds were predicted using only the data on the properties of elements and simple halides.
Integrated system (IS) of databases (DB) on the properties of inorganic substances and materials that includes DBs developed by Baikov Institute (Russia) and NIMS (Japan) was created. The service-oriented architecture on the basis of Web-services application for support of interaction between heterogeneous information systems was used for DBs integrations. The special metabase is used for search for the relevant information. IS is intended for both: information service and for design of new inorganic compounds. The information-analytical system (IAS) was developed for solution of the second task. IAS includes IS, a subsystem for the data analysis, a base of the discovered regularities and a base of the obtained predictions. The results of IAS application to design of compounds promising for search for new semiconductors were considered.
A model for organizing cargo transportation between two node stations connected by a railway line which contains a certain number of intermediate stations is considered. The movement of cargo is in one direction. Such a situation may occur, for example, if one of the node stations is located in a region which produce raw material for manufacturing industry located in another region, and there is another node station. The organization of freight traffic is performed by means of a number of technologies. These technologies determine the rules for taking on cargo at the initial node station, the rules of interaction between neighboring stations, as well as the rule of distribution of cargo to the final node stations. The process of cargo transportation is followed by the set rule of control. For such a model, one must determine possible modes of cargo transportation and describe their properties. This model is described by a finite-dimensional system of differential equations with nonlocal linear restrictions. The class of the solution satisfying nonlocal linear restrictions is extremely narrow. It results in the need for the “correct” extension of solutions of a system of differential equations to a class of quasi-solutions having the distinctive feature of gaps in a countable number of points. It was possible numerically using the Runge–Kutta method of the fourth order to build these quasi-solutions and determine their rate of growth. Let us note that in the technical plan the main complexity consisted in obtaining quasi-solutions satisfying the nonlocal linear restrictions. Furthermore, we investigated the dependence of quasi-solutions and, in particular, sizes of gaps (jumps) of solutions on a number of parameters of the model characterizing a rule of control, technologies for transportation of cargo and intensity of giving of cargo on a node station.
Event logs collected by modern information and technical systems usually contain enough data for automated process models discovery. A variety of algorithms was developed for process models discovery, conformance checking, log to model alignment, comparison of process models, etc., nevertheless a quick analysis of ad-hoc selected parts of a journal still have not get a full-fledged implementation. This paper describes an ROLAP-based method of multidimensional event logs storage for process mining. The result of the analysis of the journal is visualized as directed graph representing the union of all possible event sequences, ranked by their occurrence probability. Our implementation allows the analyst to discover process models for sublogs defined by ad-hoc selection of criteria and value of occurrence probability
The geographic information system (GIS) is based on the first and only Russian Imperial Census of 1897 and the First All-Union Census of the Soviet Union of 1926. The GIS features vector data (shapefiles) of allprovinces of the two states. For the 1897 census, there is information about linguistic, religious, and social estate groups. The part based on the 1926 census features nationality. Both shapefiles include information on gender, rural and urban population. The GIS allows for producing any necessary maps for individual studies of the period which require the administrative boundaries and demographic information.
Existing approaches suggest that IT strategy should be a reflection of business strategy. However, actually organisations do not often follow business strategy even if it is formally declared. In these conditions, IT strategy can be viewed not as a plan, but as an organisational shared view on the role of information systems. This approach generally reflects only a top-down perspective of IT strategy. So, it can be supplemented by a strategic behaviour pattern (i.e., more or less standard response to a changes that is formed as result of previous experience) to implement bottom-up approach. Two components that can help to establish effective reaction regarding new initiatives in IT are proposed here: model of IT-related decision making, and efficiency measurement metric to estimate maturity of business processes and appropriate IT. Usage of proposed tools is demonstrated in practical cases.