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The paper simulated the spread of certain ideas in a professional virtual group. We consider the propagation of excitation in an inhomogeneous excitable medium of high connectivity. It is assumed that the network elements form a complete graph. Parameters of the elements are normally distributed. The simulation showed that interest in the idea can fade or fluctuate depending on the settings in the virtual group. The presence of a permanent excited element with relatively high activity leads to chaos — the fraction of members of the community actively interested in an idea varies irregularly.

This work deals with numerical modeling of motion of the multibody systems consisting of rigid bodies with arbitrary masses and inertial properties. We consider both planar and spatial systems which may contain kinematic loops.

The numerical modeling is fully automatic and its computational algorithm contains three principal steps. On step one a graph of the considered mechanical system is formed from the userinput data. This graph represents the hierarchical structure of the mechanical system. On step two the differential-algebraic equations of motion of the system are derived using the so-called Joint Coordinate Method. This method allows to minimize the redundancy and lower the number of the equations of motion and thus optimize the calculations. On step three the equations of motion are integrated numerically and the resulting laws of motion are presented via user interface or files.

The aforementioned algorithm is implemented in the software complex that contains a computer algebra system, a graph library, a mechanical solver, a library of numerical methods and a user interface.

The paper outlines the approaches to mathematical modeling correlation adaptometry techniques widely used in biology and medicine. The analysis is based on models employed in descriptions of structured biological systems. It is assumed that the distribution density of the biological population numbers satisfies the equation of Kolmogorov-Fokker-Planck. Using this technique evaluated the effectiveness of treatment of patients with obesity. All patients depending on the obesity degree and the comorbidity nature were divided into three groups. Shows a decrease in weight of the correlation graph computed from the measured in the patients of the indicators that characterizes the effectiveness of the treatment for all studied groups. This technique was also used to assess the intensity of the training loads in academic rowing three age groups. It was shown that with the highest voltage worked with athletes for youth group. Also, using the technique of correlation adaptometry evaluated the effectiveness of the treatment of hormone replacement therapy in women. All the patients depending on the assigned drug were divided into four groups. In the standard analysis of the dynamics of mean values of indicators, it was shown that in the course of the treatment were observed normalization of the averages for all groups of patients. However, using the technique of correlation adaptometry it was found that during the first six months the weight of the correlation graph was decreasing and during the second six months the weight increased for all study groups. This indicates the excessive length of the annual course of hormone replacement therapy and the practicality of transition to a semiannual rate.

Modern 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.

Epidemic models are widely used to mimic social activity, such as spreading of rumors or panic. Simultaneously, models of excitable media are traditionally used to simulate the propagation of activity. Spreading of activity in the virtual community was simulated within two models: the SIRS epidemic model and the Wiener – Rosenblut model of the excitable media. We used network versions of these models. The network was assumed to be heterogeneous, namely, each element of the network has an individual set of characteristics, which corresponds to different psychological types of community members. The structure of a virtual network relies on an appropriate scale-free network. Modeling was carried out on scale-free networks with various values of the average degree of vertices. Additionally, a special case was considered, namely, a complete graph corresponding to a close professional group, when each member of the group interacts with each. Participants in a virtual community can be in one of three states: 1) potential readiness to accept certain information; 2) active interest to this information; 3) complete indifference to this information. These states correspond to the conditions that are usually used in epidemic models: 1) susceptible to infection, 2) infected, 3) refractory (immune or death due to disease). A comparison of the two models showed their similarity both at the level of main assumptions and at the level of possible modes. Distribution of activity over the network is similar to the spread of infectious diseases. It is shown that activity in virtual networks may experience fluctuations or decay.

The paper proposes a set of fairly simple analysis algorithms that can be used to analyze a wide range of protein-protein interactions. In this work, we jointly use the methods of Brownian and molecular dynamics to describe the process of formation of a complex of plastocyanin and cytochrome f proteins in higher plants. In the diffusion-collision complex, two clusters of structures were revealed, the transition between which is possible with the preservation of the position of the center of mass of the molecules and is accompanied only by a rotation of plastocyanin by 134 degrees. The first and second clusters of structures of collisional complexes differ in that in the first cluster with a positively charged region near the small domain of cytochrome f, only the “lower” plastocyanin region contacts, while in the second cluster, both negatively charged regions. The “upper” negatively charged region of plastocyanin in the first cluster is in contact with the amino acid residue of lysine K122. When the final complex is formed, the plastocyanin molecule rotates by 69 degrees around an axis passing through both areas of electrostatic contact. With this rotation, water is displaced from the regions located near the cofactors of the molecules and formed by hydrophobic amino acid residues. This leads to the appearance of hydrophobic contacts, a decrease in the distance between the cofactors to a distance of less than 1.5 nm, and further stabilization of the complex in a position suitable for electron transfer. Characteristics such as contact matrices, rotation axes during the transition between states, and graphs of changes in the number of contacts during the modeling process make it possible to determine the key amino acid residues involved in the formation of the complex and to reveal the physicochemical mechanisms underlying this process.

The method for mapping of intermediate representations (IR) set of C, C++ programs to vector embedding space is considered to create an empirical estimation framework for static performance prediction using LLVM compiler infrastructure. The usage of embeddings makes programs easier to compare due to avoiding Control Flow Graphs (CFG) and Data Flow Graphs (DFG) direct comparison. This method is based on transformation series of the initial IR such as: instrumentation — injection of artificial instructions in an instrumentation compiler’s pass depending on load offset delta in the current instruction compared to the previous one, mapping of instrumented IR into multidimensional vector with IR2Vec and dimension reduction with t-SNE (t-distributed stochastic neighbor embedding) method. The D1 cache miss ratio measured with perf stat tool is considered as performance metric. A heuristic criterion of programs having more or less cache miss ratio is given. This criterion is based on embeddings of programs in 2D-space. The instrumentation compiler’s pass developed in this work is described: how it generates and injects artificial instructions into IR within the used memory model. The software pipeline that implements the performance estimation based on LLVM compiler infrastructure is given. Computational experiments are performed on synthetic tests which are the sets of programs with the same CFGs but with different sequences of offsets used when accessing the one-dimensional array of a given size. The correlation coefficient between performance metric and distance to the worst program’s embedding is measured and proved to be negative regardless of t-SNE initialization. This fact proves the heuristic criterion to be true. The process of such synthetic tests generation is also considered. Moreover, the variety of performance metric in programs set in such a test is proposed as a metric to be improved with exploration of more tests generators.

In this article in the frameworks of the sine-Gordon mode we have calculated the dynamical characteristics of kinks and antikinks activated in the homogeneous polynucleotide chains each if them contains only one of the types of the bases: adenines, thymines, guanines or cytosines. We have obtained analytical formulas and constructed the graphs for the kink and antikink profiles and for their energy density in the 2D- and 3D-dimension. Mass of kinks and antikinks, their energy of rest and their size have been estimated. The trajectories of kink and antikink motion in the phase space have been calculated in the 2D- and 3D-dimension.

In the development of the previously obtained result on modeling the dynamics of vegetation cover, due to variations in the temperature background, a new scheme for the interval analysis of the dynamics of floristic images of formations is presented in the case when the parameter of the response rate of the model of the dynamics of each counting plant species is set by the interval of scatter of its possible values. The detailed description of the functional parameters of macromodels of biodiversity, desired in fundamental research, taking into account the essential reasons for the observed evolutionary processes, may turn out to be a problematic task. The use of more reliable interval estimates of the variability of functional parameters “bypasses” the problem of uncertainty in the primary assessment of the evolution of the phyto-resource potential of the developed controlled territories. The solutions obtained preserve not only a qualitative picture of the dynamics of species diversity, but also give a rigorous, within the framework of the initial assumptions, a quantitative assessment of the degree of presence of each plant species. The practical significance of two-sided estimation schemes based on the construction of equations for the upper and lower boundaries of the trajectories of the scatter of solutions depends on the conditions and measure of proportional correspondence of the intervals of scatter of the initial parameters with the intervals of scatter of solutions. For dynamic systems, the desired proportionality is not always ensured. The given examples demonstrate the acceptable accuracy of interval estimation of evolutionary processes. It is important to note that the constructions of the estimating equations generate vanishing intervals of scatter of solutions for quasi-constant temperature perturbations of the system. In other words, the trajectories of stationary temperature states of the vegetation cover are not roughened by the proposed interval estimation scheme. The rigor of the result of interval estimation of the species composition of the vegetation cover of formations can become a determining factor when choosing a method in the problems of analyzing the dynamics of species diversity and the plant potential of territorial systems of resource-ecological monitoring. The possibilities of the proposed approach are illustrated by geoinformation images of the computational analysis of the dynamics of the vegetation cover of the Yamal Peninsula and by the graphs of the retro-perspective analysis of the floristic variability of the formations of the landscapelithological group “Upper” based on the data of the summer temperature background of the Salehard weather station from 2010 to 1935. The developed indicators of floristic variability and the given graphs characterize the dynamics of species diversity, both on average and individually in the form of intervals of possible states for each species of plant.

The problem of centralized planning for data transmission routes in delay tolerant networks is considered. The original problem is extended with additional requirements to nodes storage and communication process. First, it is assumed that the connection between the nodes of the graph is established using antennas. Second, it is assumed that each node has a storage of finite capacity. The existing works do not consider these requirements. It is assumed that we have in advance information about messages to be processed, information about the network configuration at specified time points taken with a certain time periods, information on time delays for the orientation of the antennas for data transmission and restrictions on the amount of data storage on each satellite of the grouping. Two wellknown algorithms — CGR and Earliest Delivery with All Queues are improved to satisfy the extended requirements. The obtained algorithms solve the optimal message routing problem separately for each message. The problem of validation of the algorithms under conditions of lack of test data is considered as well. Possible approaches to the validation based on qualitative conjectures are proposed and tested, and experiment results are described. A performance comparison of the two implementations of the problem solving algorithms is made. Two algorithms named RDTNAS-CG and RDTNAS-AQ have been developed based on the CGR and Earliest Delivery with All Queues algorithms, respectively. The original algorithms have been significantly expanded and an augmented implementation has been developed. Validation experiments were carried to check the minimum «quality» requirements for the correctness of the algorithms. Comparative analysis of the performance of the two algorithms showed that the RDTNAS-AQ algorithm is several orders of magnitude faster than RDTNAS-CG.