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This article solves the problem of vehicles drivers intoxication functional statedetermining. Its solution is relevant in the transport security field during pre-trip medical examination. The problem solution is based on the papillomometry method application, which allows to evaluate the driver state by his pupillary reaction to illumination change. The problem is to determine the state of driver inebriation by the analysis of the papillogram parameters values — a time series characterizing the change in pupil dimensions upon exposure to a short-time light pulse. For the papillograms analysis it is proposed to use a neural network. A neural network model for determining the drivers intoxication functional state is developed. For its training, specially prepared data samples are used which are the values of the following parameters of pupillary reactions grouped into two classes of functional states of drivers: initial diameter, minimum diameter, half-constriction diameter, final diameter, narrowing amplitude, rate of constriction, expansion rate, latent reaction time, the contraction time, the expansion time, the half-contraction time, and the half-expansion time. An example of the initial data is given. Based on their analysis, a neural network model is constructed in the form of a single-layer perceptron consisting of twelve input neurons, twenty-five neurons of the hidden layer, and one output neuron. To increase the model adequacy using the method of ROC analysis, the optimal cut-off point for the classes of solutions at the output of the neural network is determined. A scheme for determining the drivers intoxication state is proposed, which includes the following steps: pupillary reaction video registration, papillogram construction, parameters values calculation, data analysis on the base of the neural network model, driver’s condition classification as “norm” or “rejection of the norm”, making decisions on the person being audited. A medical worker conducting driver examination is presented with a neural network assessment of his intoxication state. On the basis of this assessment, an opinion on the admission or removal of the driver from driving the vehicle is drawn. Thus, the neural network model solves the problem of increasing the efficiency of pre-trip medical examination by increasing the reliability of the decisions made.

In this work we consider Monteiro – Svaiter accelerated hybrid proximal extragradient (A-HPE) framework and accelerated Newton proximal extragradient (A-NPE) framework. The last framework contains an optimal method for rather smooth convex optimization problems with second-order oracle. We generalize A-NPE framework for higher order derivative oracle (schemes). We replace Newton’s type step in A-NPE that was used for auxiliary problem by Newton’s regularized (tensor) type step (Yu. Nesterov, 2018). Moreover we generalize large step A-HPE/A-NPE framework by replacing Monteiro – Svaiter’s large step condition so that this framework could work for high-order schemes. The main contribution of the paper is as follows: we propose optimal highorder methods for convex optimization problems. As far as we know for that moment there exist only zero, first and second order optimal methods that work according to the lower bounds. For higher order schemes there exists a gap between the lower bounds (Arjevani, Shamir, Shiff, 2017) and existing high-order (tensor) methods (Nesterov – Polyak, 2006; Yu.Nesterov, 2008; M. Baes, 2009; Yu.Nesterov, 2018). Asymptotically the ratio of the rates of convergences for the best existing methods and lower bounds is about 1.5. In this work we eliminate this gap and show that lower bounds are tight. We also consider rather smooth strongly convex optimization problems and show how to generalize the proposed methods to this case. The basic idea is to use restart technique until iteration sequence reach the region of quadratic convergence of Newton method and then use Newton method. One can show that the considered method converges with optimal rates up to a logarithmic factor. Note, that proposed in this work technique can be generalized in the case when we can’t solve auxiliary problem exactly, moreover we can’t even calculate the derivatives of the functional exactly. Moreover, the proposed technique can be generalized to the composite optimization problems and in particular to the constraint convex optimization problems. We also formulate a list of open questions that arise around the main result of this paper (optimal universal method of high order e.t.c.).

A direct algorithm for solving a linear programming problem (LP), given in canonical form, is considered. The algorithm consists of two successive stages, in which the following LP problems are solved by a direct method: a non-degenerate auxiliary problem at the first stage and some problem equivalent to the original one at the second. The construction of the auxiliary problem is based on a multiplicative version of the Gaussian exclusion method, in the very structure of which there are possibilities: identification of incompatibility and linear dependence of constraints; identification of variables whose optimal values are obviously zero; the actual exclusion of direct variables and the reduction of the dimension of the space in which the solution of the original problem is determined. In the process of actual exclusion of variables, the algorithm generates a sequence of multipliers, the main rows of which form a matrix of constraints of the auxiliary problem, and the possibility of minimizing the filling of the main rows of multipliers is inherent in the very structure of direct methods. At the same time, there is no need to transfer information (basis, plan and optimal value of the objective function) to the second stage of the algorithm and apply one of the ways to eliminate looping to guarantee final convergence.

Two variants of the algorithm for solving the auxiliary problem in conjugate canonical form are presented. The first one is based on its solution by a direct algorithm in terms of the simplex method, and the second one is based on solving a problem dual to it by the simplex method. It is shown that both variants of the algorithm for the same initial data (inputs) generate the same sequence of points: the basic solution and the current dual solution of the vector of row estimates. Hence, it is concluded that the direct algorithm is an algorithm of the simplex method type. It is also shown that the comparison of numerical schemes leads to the conclusion that the direct algorithm allows to reduce, according to the cubic law, the number of arithmetic operations necessary to solve the auxiliary problem, compared with the simplex method. An estimate of the number of iterations is given.

Method which allows to obtain explicit form of the solution as a part of power series of the argument step is developed. Formalization of characteristics of the algorithm analogous to operations of a computer is performed. The operation of transfer from one rank to another leads to a probability scheme of the algorithm that averages unknown intermediate steps in higher ranks of the series. The stochastic characteristics of the method are studied and illustrated. Examples of solving nonlinear equations and systems of nonlinear differential equations are presented.

The basic subset of two-stage Rosenbrock schemes with complex coefficients for numerical solution of autonomous systems of ordinary differential equations (ODE) has been considered. Numerical realization of such schemes requires one LU-decomposition, two computations of right side function and one computation of Jacoby matrix of the system per one step. The full theoretical investigation of accuracy and stability of such schemes have been done. New A-stable methods of the 3-rd order of accuracy with different properties have been constructed. There are high order L-decremented schemes as well as schemes with simple estimation of the main term of truncation error which is necessary for automatic evaluation of time step. Testing of new methods has been performed.

Necessary and sufficient conditions for the existence of solutions of nonlinear nonautonomous periodic problem for Hill’s equation in the case of parametric resonance. A characteristic feature of the task is the need of finding, as desired solution, and the corresponding eigenfunction, which ensures solvability of the periodic problem for Hill’s equation in the case of parametric resonance. To construct solutions of the periodic problem for Hill’s equation and the corresponding eigenfunction in the case of parametric resonance proposed iterative scheme, based on the method of simple iterations with used list-square technics.

Modification of the lattice Boltzmann method for computation of viscous incompressible fluid flows is proposed. The method is based on the splitting of differential operator in Navier–Stokes equation and on the idea of instantaneous Maxwellisation of distribution function. The method is based on explicit schemes and didn’t have any problems with parallelization of computations. The stability of the method is demonstrated using von Neumann method in a wide range of input parameter values. The efficiency of the method proposed is demonstrated on the solution of the problem of 2D lid-driven cavity flow.

Equations of motion in Newtonian and Hamiltonian forms are used for classical molecular dynamics simulation of particle system time evolution. When Newton equations of motion are used for finding of particle coordinates and velocities in $N$-particle system it takes to solve $3N$ ordinary differential equations of second order at every time step. Traditionally numerical schemes of Verlet method are used for solving Newtonian equations of motion of molecular dynamics. A step of integration is necessary to decrease for Verlet numerical schemes steadiness conservation on sufficiently large time intervals. It leads to a significant increase of the volume of calculations. Numerical schemes of Verlet method with Hamiltonian conservation control (the energy of the system) at every time moment are used in the most software packages of molecular dynamics for numerical integration of equations of motion. It can be used two complement each other approaches to decrease of computational time in molecular dynamics calculations. The first of these approaches is based on enhancement and software optimization of existing software packages of molecular dynamics by using of vectorization, parallelization and special processor construction. The second one is based on the elaboration of efficient methods for numerical integration for equations of motion. A procedure for constructing of explicit, implicit and symmetric symplectic numerical schemes with given approximation accuracy in relation to integration step for solving of molecular dynamic equations of motion in Hamiltonian form is proposed in this work. The approach for construction of proposed in this work procedure is based on the following points: Hamiltonian formulation of equations of motion; usage of Taylor expansion of exact solution; usage of generating functions, for geometrical properties of exact solution conservation, in derivation of numerical schemes. Numerical experiments show that obtained in this work symmetric symplectic third-order accuracy scheme conserves basic properties of the exact solution in the approximate solution. It is more stable for approximation step and conserves Hamiltonian of the system with more accuracy at a large integration interval then second order Verlet numerical schemes.

Comparative analysis of two numerical methods for simulation of unsteady natural convection and thermal surface radiation within a differentially heated cubical cavity has been carried out. The considered domain of interest had two isothermal opposite vertical faces, while other walls are adiabatic. The walls surfaces were diffuse and gray, namely, their directional spectral emissivity and absorptance do not depend on direction or wavelength but can depend on surface temperature. For the reflected radiation we had two approaches such as: 1) the reflected radiation is diffuse, namely, an intensity of the reflected radiation in any point of the surface is uniform for all directions; 2) the reflected radiation is uniform for each surface of the considered enclosure. Mathematical models formulated both in primitive variables “velocity–pressure” and in transformed variables “vector potential functions – vorticity vector” have been performed numerically using finite volume method and finite difference methods, respectively. It should be noted that radiative heat transfer has been analyzed using the net-radiation method in Poljak approach.

Using primitive variables and finite volume method for the considered boundary-value problem we applied power-law for an approximation of convective terms and central differences for an approximation of diffusive terms. The difference motion and energy equations have been solved using iterative method of alternating directions. Definition of the pressure field associated with velocity field has been performed using SIMPLE procedure.

Using transformed variables and finite difference method for the considered boundary-value problem we applied monotonic Samarsky scheme for convective terms and central differences for diffusive terms. Parabolic equations have been solved using locally one-dimensional Samarsky scheme. Discretization of elliptic equations for vector potential functions has been conducted using symmetric approximation of the second-order derivatives. Obtained difference equation has been solved by successive over-relaxation method. Optimal value of the relaxation parameter has been found on the basis of computational experiments.

As a result we have found the similar distributions of velocity and temperature in the case of these two approaches for different values of Rayleigh number, that illustrates an operability of the used techniques. The efficiency of transformed variables with finite difference method for unsteady problems has been shown.

We consider a numerically stable direct multiplicative algorithm of solving linear equations systems, which takes into account the sparseness of matrices presented in a packed form. The advantage of the algorithm is the ability to minimize the filling of the main rows of multipliers without losing the accuracy of the results. Moreover, changes in the position of the next processed row of the matrix are not made, what allows using static data storage formats. Linear system solving by a direct multiplicative algorithm is, like the solving with $LU$-decomposition, just another scheme of the Gaussian elimination method implementation.

In this paper, this algorithm is the basis for solving the following problems:

Problem 1. Setting the descent direction in Newtonian methods of unconditional optimization by integrating one of the known techniques of constructing an essentially positive definite matrix. This approach allows us to weaken or remove additional specific difficulties caused by the need to solve large equation systems with sparse matrices presented in a packed form.

Problem 2. Construction of a new mathematical formulation of the problem of quadratic programming and a new form of specifying necessary and sufficient optimality conditions. They are quite simple and can be used to construct mathematical programming methods, for example, to find the minimum of a quadratic function on a polyhedral set of constraints, based on solving linear equations systems, which dimension is not higher than the number of variables of the objective function.

Problem 3. Construction of a continuous analogue of the problem of minimizing a real quadratic polynomial in Boolean variables and a new form of defining necessary and sufficient conditions of optimality for the development of methods for solving them in polynomial time. As a result, the original problem is reduced to the problem of finding the minimum distance between the origin and the angular point of a convex polyhedron, which is a perturbation of the $n$-dimensional cube and is described by a system of double linear inequalities with an upper triangular matrix of coefficients with units on the main diagonal. Only two faces are subject to investigation, one of which or both contains the vertices closest to the origin. To calculate them, it is sufficient to solve $4n – 4$ linear equations systems and choose among them all the nearest equidistant vertices in polynomial time. The problem of minimizing a quadratic polynomial is $NP$-hard, since an $NP$-hard problem about a vertex covering for an arbitrary graph comes down to it. It follows therefrom that $P = NP$, which is based on the development beyond the limits of integer optimization methods.