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Extension of Strongin’s Global Optimization Algorithm to a Function Continuous on a Compact Interval
Computer Research and Modeling, 2019, v. 11, no. 6, pp. 1111-1119The Lipschitz continuous property has been used for a long time to solve the global optimization problem and continues to be used. Here we can mention the work of Piyavskii, Yevtushenko, Strongin, Shubert, Sergeyev, Kvasov and others. Most papers assume a priori knowledge of the Lipschitz constant, but the derivation of this constant is a separate problem. Further still, we must prove that an objective function is really Lipschitz, and it is a complicated problem too. In the case where the Lipschitz continuity is established, Strongin proposed an algorithm for global optimization of a satisfying Lipschitz condition on a compact interval function without any a priori knowledge of the Lipschitz estimate. The algorithm not only finds a global extremum, but it determines the Lipschitz estimate too. It is known that every function that satisfies the Lipchitz condition on a compact convex set is uniformly continuous, but the reverse is not always true. However, there exist models (Arutyunova, Dulliev, Zabotin) whose study requires a minimization of the continuous but definitely not Lipschitz function. One of the algorithms for solving such a problem was proposed by R. J. Vanderbei. In his work he introduced some generalization of the Lipchitz property named $\varepsilon$-Lipchitz and proved that a function defined on a compact convex set is uniformly continuous if and only if it satisfies the $\varepsilon$-Lipchitz condition. The above-mentioned property allowed him to extend Piyavskii’s method. However, Vanderbei assumed that for a given value of $\varepsilon$ it is possible to obtain an associate Lipschitz $\varepsilon$-constant, which is a very difficult problem. Thus, there is a need to construct, for a function continuous on a compact convex domain, a global optimization algorithm which works in some way like Strongin’s algorithm, i.e., without any a priori knowledge of the Lipschitz $\varepsilon$-constant. In this paper we propose an extension of Strongin’s global optimization algorithm to a function continuous on a compact interval using the $\varepsilon$-Lipchitz conception, prove its convergence and solve some numerical examples using the software that implements the developed method.
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Application of simplified implicit Euler method for electrophysiological models
Computer Research and Modeling, 2020, v. 12, no. 4, pp. 845-864A simplified implicit Euler method was analyzed as an alternative to the explicit Euler method, which is a commonly used method in numerical modeling in electrophysiology. The majority of electrophysiological models are quite stiff, since the dynamics they describe includes a wide spectrum of time scales: a fast depolarization, that lasts milliseconds, precedes a considerably slow repolarization, with both being the fractions of the action potential observed in excitable cells. In this work we estimate stiffness by a formula that does not require calculation of eigenvalues of the Jacobian matrix of the studied ODEs. The efficiency of the numerical methods was compared on the case of typical representatives of detailed and conceptual type models of excitable cells: Hodgkin–Huxley model of a neuron and Aliev–Panfilov model of a cardiomyocyte. The comparison of the efficiency of the numerical methods was carried out via norms that were widely used in biomedical applications. The stiffness ratio’s impact on the speedup of simplified implicit method was studied: a real gain in speed was obtained for the Hodgkin–Huxley model. The benefits of the usage of simple and high-order methods for electrophysiological models are discussed along with the discussion of one method’s stability issues. The reasons for using simplified instead of high-order methods during practical simulations were discussed in the corresponding section. We calculated higher order derivatives of the solutions of Hodgkin-Huxley model with various stiffness ratios; their maximum absolute values appeared to be quite large. A numerical method’s approximation constant’s formula contains the latter and hence ruins the effect of the other term (a small factor which depends on the order of approximation). This leads to the large value of global error. We committed a qualitative stability analysis of the explicit Euler method and were able to estimate the model’s parameters influence on the border of the region of absolute stability. The latter is used when setting the value of the timestep for simulations a priori.
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Forecasting the global temperature increase for the XXI century by means of a simple statistical model
Computer Research and Modeling, 2016, v. 8, no. 2, pp. 379-390Views (last year): 1.A simple statistical model is developed for the dynamics of the mean global annual temperature. The model combines the logarithmic effect of carbon dioxide concentration increase and the input by climatic cycles. Model parameters are determined from data of instrumental observations for 1850–2010. The model confirms the presence of climatic cycles with the period of 10.5 and 68.8 years in the global temperature dynamics. The trajectories of the global temperature changes for the XXI century are obtained under the scenarios of carbon dioxide concentration changes from the 5th IPCC Assessment Report. The comparison revealed that the global temperature trajectories from the Report are 0.9–1.8 °C above those obtained in the model.
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Modernization as a global process: the experience of mathematical modeling
Computer Research and Modeling, 2021, v. 13, no. 4, pp. 859-873The article analyzes empirical data on the long-term demographic and economic dynamics of the countries of the world for the period from the beginning of the 19th century to the present. Population and GDP of a number of countries of the world for the period 1500–2016 were selected as indicators characterizing the long-term demographic and economic dynamics of the countries of the world. Countries were chosen in such a way that they included representatives with different levels of development (developed and developing countries), as well as countries from different regions of the world (North America, South America, Europe, Asia, Africa). A specially developed mathematical model was used for modeling and data processing. The presented model is an autonomous system of differential equations that describes the processes of socio-economic modernization, including the process of transition from an agrarian society to an industrial and post-industrial one. The model contains the idea that the process of modernization begins with the emergence of an innovative sector in a traditional society, developing on the basis of new technologies. The population is gradually moving from the traditional sector to the innovation sector. Modernization is completed when most of the population moves to the innovation sector.
Statistical methods of data processing and Big Data methods, including hierarchical clustering were used. Using the developed algorithm based on the random descent method, the parameters of the model were identified and verified on the basis of empirical series, and the model was tested using statistical data reflecting the changes observed in developed and developing countries during the period of modernization taking place over the past centuries. Testing the model has demonstrated its high quality — the deviations of the calculated curves from statistical data are usually small and occur during periods of wars and economic crises. Thus, the analysis of statistical data on the long-term demographic and economic dynamics of the countries of the world made it possible to determine general patterns and formalize them in the form of a mathematical model. The model will be used to forecast demographic and economic dynamics in different countries of the world.
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Subgradient methods for non-smooth optimization problems with some relaxation of sharp minimum
Computer Research and Modeling, 2022, v. 14, no. 2, pp. 473-495Non-smooth optimization often arises in many applied problems. The issues of developing efficient computational procedures for such problems in high-dimensional spaces are very topical. First-order methods (subgradient methods) are well applicable here, but in fairly general situations they lead to low speed guarantees for large-scale problems. One of the approaches to this type of problem can be to identify a subclass of non-smooth problems that allow relatively optimistic results on the rate of convergence. For example, one of the options for additional assumptions can be the condition of a sharp minimum, proposed in the late 1960s by B. T. Polyak. In the case of the availability of information about the minimal value of the function for Lipschitz-continuous problems with a sharp minimum, it turned out to be possible to propose a subgradient method with a Polyak step-size, which guarantees a linear rate of convergence in the argument. This approach made it possible to cover a number of important applied problems (for example, the problem of projecting onto a convex compact set). However, both the condition of the availability of the minimal value of the function and the condition of a sharp minimum itself look rather restrictive. In this regard, in this paper, we propose a generalized condition for a sharp minimum, somewhat similar to the inexact oracle proposed recently by Devolder – Glineur – Nesterov. The proposed approach makes it possible to extend the class of applicability of subgradient methods with the Polyak step-size, to the situation of inexact information about the value of the minimum, as well as the unknown Lipschitz constant of the objective function. Moreover, the use of local analogs of the global characteristics of the objective function makes it possible to apply the results of this type to wider classes of problems. We show the possibility of applying the proposed approach to strongly convex nonsmooth problems, also, we make an experimental comparison with the known optimal subgradient method for such a class of problems. Moreover, there were obtained some results connected to the applicability of the proposed technique to some types of problems with convexity relaxations: the recently proposed notion of weak $\beta$-quasi-convexity and ordinary quasiconvexity. Also in the paper, we study a generalization of the described technique to the situation with the assumption that the $\delta$-subgradient of the objective function is available instead of the usual subgradient. For one of the considered methods, conditions are found under which, in practice, it is possible to escape the projection of the considered iterative sequence onto the feasible set of the problem.
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Personalization of mathematical models in cardiology: obstacles and perspectives
Computer Research and Modeling, 2022, v. 14, no. 4, pp. 911-930Most biomechanical tasks of interest to clinicians can be solved only using personalized mathematical models. Such models allow to formalize and relate key pathophysiological processes, basing on clinically available data evaluate non-measurable parameters that are important for the diagnosis of diseases, predict the result of a therapeutic or surgical intervention. The use of models in clinical practice imposes additional restrictions: clinicians require model validation on clinical cases, the speed and automation of the entire calculated technological chain, from processing input data to obtaining a result. Limitations on the simulation time, determined by the time of making a medical decision (of the order of several minutes), imply the use of reduction methods that correctly describe the processes under study within the framework of reduced models or machine learning tools.
Personalization of models requires patient-oriented parameters, personalized geometry of a computational domain and generation of a computational mesh. Model parameters are estimated by direct measurements, or methods of solving inverse problems, or methods of machine learning. The requirement of personalization imposes severe restrictions on the number of fitted parameters that can be measured under standard clinical conditions. In addition to parameters, the model operates with boundary conditions that must take into account the patient’s characteristics. Methods for setting personalized boundary conditions significantly depend on the clinical setting of the problem and clinical data. Building a personalized computational domain through segmentation of medical images and generation of the computational grid, as a rule, takes a lot of time and effort due to manual or semi-automatic operations. Development of automated methods for setting personalized boundary conditions and segmentation of medical images with the subsequent construction of a computational grid is the key to the widespread use of mathematical modeling in clinical practice.
The aim of this work is to review our solutions for personalization of mathematical models within the framework of three tasks of clinical cardiology: virtual assessment of hemodynamic significance of coronary artery stenosis, calculation of global blood flow after hemodynamic correction of complex heart defects, calculating characteristics of coaptation of reconstructed aortic valve.
Keywords: computational biomechanics, personalized model. -
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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Interactive graphical toolkit global computer simulations in marine service operational forecasts
Computer Research and Modeling, 2015, v. 7, no. 3, pp. 641-648Citations: 1 (RSCI).Efficiency and completeness of the numerical simulation in oceanography and hydrometeorology are entirely determined by algorithmic features of the construction of an interactive computer simulations in the scale of the oceans with adaptive coated closed seas and coastal waters refined mathematical models, with the possibility of specifying software parallelization calculations near the concrete — the protected areas of the sea coast. An important component of the research is continuous graphical visualization techniques in the course of calculations, including those undertaken in parallel processes with shared RAM or test points on the external media. The results of computational experiments are used in the description of hydrodynamic processes near the coast, which is important in keeping the organization of sea control services and forecasting marine hazards.
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Basic directions of information technology in National Academy of Sciences of Azerbaijan
Computer Research and Modeling, 2015, v. 7, no. 3, pp. 657-660Views (last year): 6. Citations: 1 (RSCI).Grid is a new type of computing infrastructure, is intensively developed in today world of information technologies. Grid provides global integration of information and computing resources. The essence Conception of GRID in Azerbaijan is to create a set of standardized services to provide a reliable, compatible, inexpensive and secure access to geographically distributed high-tech information and computing resources a separate computer, cluster and supercomputing centers, information storage, networks, scientific tools etc.
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An implementation of a parallel global minimum search algorithm with an application to the ReaxFF molecular dynamic force field parameters optimization
Computer Research and Modeling, 2015, v. 7, no. 3, pp. 745-752Views (last year): 1. Citations: 1 (RSCI).Molecular dynamic methods that use ReaxFF force field allow one to obtain sufficiently good results in simulating large multicomponent chemically reactive systems. Here is represented an algorithm of searching optimal parameters of molecular-dynamic force field ReaxFF for arbitrary chemical systems and its implementation. The method is based on the multidimensional technique of global minimum search suggested by R.G. Strongin. It has good scalability useful for running on distributed parallel computers.
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International Interdisciplinary Conference "Mathematics. Computing. Education"