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Mathematical features of individual dosimetric planning of radioiodotherapy based on pharmacokinetic modeling
Computer Research and Modeling, 2024, v. 16, no. 3, pp. 773-784When determining therapeutic absorbed doses in the process of radioiodine therapy, the method of individual dosimetric planning is increasingly used in Russian medicine. However, for the successful implementation of this method, it is necessary to have appropriate software that allows modeling the pharmacokinetics of radioiodine in the patient’s body and calculate the necessary therapeutic activity of a radiopharmaceutical drug to achieve the planned therapeutic absorbed dose in the thyroid gland.
Purpose of the work: development of a software package for pharmacokinetic modeling and calculation of individual absorbed doses in radioiodine therapy based on a five-chamber model of radioiodine kinetics using two mathematical optimization methods. The work is based on the principles and methods of RFLP pharmacokinetics (chamber modeling). To find the minimum of the residual functional in identifying the values of the transport constants of the model, the Hook – Jeeves method and the simulated annealing method were used. Calculation of dosimetric characteristics and administered therapeutic activity is based on the method of calculating absorbed doses using the functions of radioiodine activity in the chambers found during modeling. To identify the parameters of the model, the results of radiometry of the thyroid gland and urine of patients with radioiodine introduced into the body were used.
A software package for modeling the kinetics of radioiodine during its oral intake has been developed. For patients with diffuse toxic goiter, the transport constants of the model were identified and individual pharmacokinetic and dosimetric characteristics (elimination half-lives, maximum thyroid activity and time to reach it, absorbed doses to critical organs and tissues, administered therapeutic activity) were calculated. The activity-time relationships for all cameras in the model are obtained and analyzed. A comparative analysis of the calculated pharmacokinetic and dosimetric characteristics calculated using two mathematical optimization methods was performed. Evaluation completed the stunning-effect and its contribution to the errors in calculating absorbed doses. From a comparative analysis of the pharmacokinetic and dosimetric characteristics calculated in the framework of two optimization methods, it follows that the use of a more complex mathematical method for simulating annealing in a software package does not lead to significant changes in the values of the characteristics compared to the simple Hook – Jeeves method. Errors in calculating absorbed doses in the framework of these mathematical optimization methods do not exceed the spread of absorbed dose values from the stunning-effect.
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Statistical analysis of bigrams of specialized texts
Computer Research and Modeling, 2020, v. 12, no. 1, pp. 243-254The method of the stochastic matrix spectrum analysis is used to build an indicator that allows to determine the subject of scientific texts without keywords usage. This matrix is a matrix of conditional probabilities of bigrams, built on the statistics of the alphabet characters in the text without spaces, numbers and punctuation marks. Scientific texts are classified according to the mutual arrangement of invariant subspaces of the matrix of conditional probabilities of pairs of letter combinations. The separation indicator is the value of the cosine of the angle between the right and left eigenvectors corresponding to the maximum and minimum eigenvalues. The computational algorithm uses a special representation of the dichotomy parameter, which is the integral of the square norm of the resolvent of the stochastic matrix of bigrams along the circumference of a given radius in the complex plane. The tendency of the integral to infinity testifies to the approximation of the integration circuit to the eigenvalue of the matrix. The paper presents the typical distribution of the indicator of identification of specialties. For statistical analysis were analyzed dissertations on the main 19 specialties without taking into account the classification within the specialty, 20 texts for the specialty. It was found that the empirical distributions of the cosine of the angle for the mathematical and Humanities specialties do not have a common domain, so they can be formally divided by the value of this indicator without errors. Although the body of texts was not particularly large, nevertheless, in the case of arbitrary selection of dissertations, the identification error at the level of 2 % seems to be a very good result compared to the methods based on semantic analysis. It was also found that it is possible to make a text pattern for each of the specialties in the form of a reference matrix of bigrams, in the vicinity of which in the norm of summable functions it is possible to accurately identify the theme of the written scientific work, without using keywords. The proposed method can be used as a comparative indicator of greater or lesser severity of the scientific text or as an indicator of compliance of the text to a certain scientific level.
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On the using the differential schemes to transport equation with drain in grid modeling
Computer Research and Modeling, 2020, v. 12, no. 5, pp. 1149-1164Modern power transportation systems are the complex engineering systems. Such systems include both point facilities (power producers, consumers, transformer substations, etc.) and the distributed elements (f.e. power lines). Such structures are presented in the form of the graphs with different types of nodes under creating the mathematical models. It is necessary to solve the system of partial differential equations of the hyperbolic type to study the dynamic effects in such systems.
An approach similar to one already applied in modeling similar problems earlier used in the work. New variant of the splitting method was used proposed by the authors. Unlike most known works, the splitting is not carried out according to physical processes (energy transport without dissipation, separately dissipative processes). We used splitting to the transport equations with the drain and the exchange between Reimann’s invariants. This splitting makes possible to construct the hybrid schemes for Riemann invariants with a high order of approximation and minimal dissipation error. An example of constructing such a hybrid differential scheme is described for a single-phase power line. The difference scheme proposed is based on the analysis of the properties of the schemes in the space of insufficient coefficients.
Examples of the model problem numerical solutions using the proposed splitting and the difference scheme are given. The results of the numerical calculations shows that the difference scheme allows to reproduce the arising regions of large gradients. It is shown that the difference schemes also allow detecting resonances in such the systems.
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Comparative analysis of statistical methods of scientific publications classification in medicine
Computer Research and Modeling, 2020, v. 12, no. 4, pp. 921-933In this paper the various methods of machine classification of scientific texts by thematic sections on the example of publications in specialized medical journals published by Springer are compared. The corpus of texts was studied in five sections: pharmacology/toxicology, cardiology, immunology, neurology and oncology. We considered both classification methods based on the analysis of annotations and keywords, and classification methods based on the processing of actual texts. Methods of Bayesian classification, reference vectors, and reference letter combinations were applied. It is shown that the method of classification with the best accuracy is based on creating a library of standards of letter trigrams that correspond to texts of a certain subject. It is turned out that for this corpus the Bayesian method gives an error of about 20%, the support vector machine has error of order 10%, and the proximity of the distribution of three-letter text to the standard theme gives an error of about 5%, which allows to rank these methods to the use of artificial intelligence in the task of text classification by industry specialties. It is important that the support vector method provides the same accuracy when analyzing annotations as when analyzing full texts, which is important for reducing the number of operations for large text corpus.
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Forecasting demographic and macroeconomic indicators in a distributed global model
Computer Research and Modeling, 2023, v. 15, no. 3, pp. 757-779The paper present a dynamic macro model of world dynamics. The world is divided into 19 geographic regions in the model. The internal development of the regions is described by regression equations for demographic and economic indicators (Population, Gross Domestic Product, Gross Capital Formation). The bilateral trade flows from region to region describes interregional interactions and represented the trade submodel. Time, the gross product of the exporter and the gross product of the importer were used as regressors. Four types were considered: time pair regression — dependence of trade flow on time, export function — dependence of the share of trade flow in the gross product of the exporter on the gross product of the importer, import function — dependence of the share of trade flow in the gross product of the importer on the gross product of the exporter, multiple regression — dependence of trade flow on the gross products of the exporter and importer. Two types of functional dependence were used for each type: linear and log-linear, in total eight variants of the trading equation were studied. The quality of regression models is compared by the coefficient of determination. By calculations the model satisfactorily approximates the dynamics of monotonically changing indicators. The dynamics of non-monotonic trade flows is analyzed, three types of functional dependence on time are proposed for their approximation. It is shown that the number of foreign trade series can be approximated by the space of seven main components with a 10% error. The forecast of regional development and global dynamics up to 2040 is constructed.
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Modeling the number of employed, unemployed and economically inactive population in the Russian Far East
Computer Research and Modeling, 2021, v. 13, no. 1, pp. 251-264Studies of the crisis socio-demographic situation in the Russian Far East require not only the use of traditional statistical methods, but also a conceptual analysis of possible development scenarios based on the synergy principles. The article is devoted to the analysis and modeling of the number of employed, unemployed and economically inactive population using nonlinear autonomous differential equations. We studied a basic mathematical model that takes into account the principle of pair interactions, which is a special case of the model for the struggle between conditional information of D. S. Chernavsky. The point estimates for the parameters are found using least squares method adapted for this model. The average approximation error was no more than 5.17%. The calculated parameter values correspond to the unstable focus and the oscillations with increasing amplitude of population number in the asymptotic case, which indicates a gradual increase in disparities between the employed, unemployed and economically inactive population and a collapse of their dynamics. We found that in the parametric space, not far from the inertial scenario, there are domains of blow-up and chaotic regimes complicating the ability to effectively manage. The numerical study showed that a change in only one model parameter (e.g. migration) without complex structural socio-economic changes can only delay the collapse of the dynamics in the long term or leads to the emergence of unpredictable chaotic regimes. We found an additional set of the model parameters corresponding to sustainable dynamics (stable focus) which approximates well the time series of the considered population groups. In the mathematical model, the bifurcation parameters are the outflow rate of the able-bodied population, the fertility (“rejuvenation of the population”), as well as the migration inflow rate of the unemployed. We found that the transition to stable regimes is possible with the simultaneous impact on several parameters which requires a comprehensive set of measures to consolidate the population in the Russian Far East and increase the level of income in terms of compensation for infrastructure sparseness. Further economic and sociological research is required to develop specific state policy measures.
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On Tollmien – Schlichting instability in numerical solutions of the Navier – Stokes equations obtained with 16th-order multioperators-based scheme
Computer Research and Modeling, 2022, v. 14, no. 4, pp. 953-967The paper presents the results of applying a scheme of very high accuracy and resolution to obtain numerical solutions of the Navier – Stokes equations of a compressible gas describing the occurrence and development of instability of a two-dimensional laminar boundary layer on a flat plate. The peculiarity of the conducted studies is the absence of commonly used artificial exciters of instability in the implementation of direct numerical modeling. The multioperator scheme used made it possible to observe the subtle effects of the birth of unstable modes and the complex nature of their development caused presumably by its small approximation errors. A brief description of the scheme design and its main properties is given. The formulation of the problem and the method of obtaining initial data are described, which makes it possible to observe the established non-stationary regime fairly quickly. A technique is given that allows detecting flow fluctuations with amplitudes many orders of magnitude smaller than its average values. A time-dependent picture of the appearance of packets of Tollmien – Schlichting waves with varying intensity in the vicinity of the leading edge of the plate and their downstream propagation is presented. The presented amplitude spectra with expanding peak values in the downstream regions indicate the excitation of new unstable modes other than those occurring in the vicinity of the leading edge. The analysis of the evolution of instability waves in time and space showed agreement with the main conclusions of the linear theory. The numerical solutions obtained seem to describe for the first time the complete scenario of the possible development of Tollmien – Schlichting instability, which often plays an essential role at the initial stage of the laminar-turbulent transition. They open up the possibilities of full-scale numerical modeling of this process, which is extremely important for practice, with a similar study of the spatial boundary layer.
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