Method Of Increments Research Articles

ОСОБЛИВОСТІ СТВОРЕННЯ ШТУЧНОГО ІНТЕЛЕКТУ ЗАСОБАМИ ІНФОРМАТИКИ ТА КІБЕРНЕТИКИ

Peculiarities are determined, and scopes of application of the methods of informatics and cybernetics are specified based on V.M. Glushkov’s definition of the concept of information. The concept of artificial intelligence is noted to belong to these branches of science. The impossibility of using the traditional theoretical and practical foundations of discretization, quantization, and signal transmission in real-time systems and the need to develop new theoretical foundations based on the measure of changes for cybernetic systems have been proved. A tracking model of analog-incremental transformation of continuous signals with increments, multiple of the degree of 2, and methods of their coordination with the information processing means are proposed. The basis of the dynamic theory of information based on δ-entropy is proposed for excreting useful (dynamic) information from signals, images, videos, iterative processes and, in general, from the data on changes in evolutionary processes. Approaches to the synthesis of new technical solutions based on the method of knowledge increments are proposed. The peculiarities of creating artificial intelligence by the methods of informatics and cybernetics and the need for their synergy with other fields of science are determined. Keywords: computer science, cybernetics, information, artificial intelligence, computational technique, static information, dynamic information, measure of change, δ-entropy, information, knowledge gain, heuristics.

THE METHOD OF OPTIMIZING THE DISTRIBUTION OF RADIO SUPPRESSION MEANS AND DESTRUCTIVE SOFTWARE INFLUENCE ON COMPUTER NETWORKS

Context. Currently, generalized methodical approaches to the development of scenarios of complex radio suppression and electromagnetic influence of typical special telecommunication systems have been developed. However, during the development of possible cases for the complex application of radio suppression and destructive software influence,the problem of optimizing the resource of these means and its distribution according to the goals of radio suppression and objects of destructive computer influence arose, which has not yet been fully resolved.Especially in the literature known to the authors, there is no method for optimizing the resource distribution of radio and computer influence, used for the development and practical implementation of optimal scenarios of destructive influence on computer networks of enemy military groups in military operations.
 Therefore, it is necessary to formulate a problem and develop a method of optimizing the distribution of the resource of radio suppression and destructive software influence for the development of possible scenarios of the enemy’s violation of information exchange in a standart telecommunication network.
 Objective. The purpose of the research is to develop a method for optimizing the distribution of the resource of radio suppression and destructive software influence for the development of scenarios of information exchange violations by the enemy in the telecommunications network.
 Method.To achieve the purpose of the research, the methods of nonlinear optimization of heterogeneous resource distribution, mass service theory, and expert evaluation were comprehensively applied and developed in the field of modeling of information conflict.
 To determine the coefficients of protection of objects from radio-electronic and destructive computer influence, expert evaluation methods are used, in particular, the method of frequencies of preferences of the decision-maker using the Thurstone method. This method requires only one expert (a decision-maker), minimal communication time with him, minimal expert information (full ordering of weighting factors) and can be applied with a small number of evaluated weighting factors.
 To solve the problem of optimal distribution of a heterogeneous resource of means of destructive influence, to ensure the value of the multiplicative objective function of an arbitrary form is not less than the given one, the method of successive increments is applied.
 To determine the efficiency indicator of information exchange violation, the methods of mass service theory are applied, which allows to formalize special telecommunication systems as a set of mass service systems – subsystems of digital communication and computer networks.
 Results. The formulated problem and the entered indicators made it possible to solve the problem of determining the minimum resource of means of destructive influence and their optimal distribution according to the purposes of radio suppression on the objects of destructive program influence in order to achieve the required level of disruption of the efficiency of information exchange in special telecommunication systems.
 Conclusions.According to the results of the article, a method for optimizing the distribution of the resource of radio suppression and destructive software influence has been developed for the development of possible scenarios of information exchange violations by the enemy in a typical telecommunications network.The verification of the proposed method was carried out by comparing the theoretical results with the results of simulated modeling of scenarios of violation of the information exchange in the telecommunications network by the enemy.

Thermodynamic properties of titanium-manganite LaСаTiMnO6

By the method of dynamic calorimetry in the range of 298.15-673 K, the heat capacity of titanium-manganite LaСаTiMnO6, obtained by solid-phase interaction at 800-1200oC from lanthanum, titanium (II), manganese (III) and calcium carbonate oxides was studied. On the dependence curve Ср°~¦(T) in the specified temperature range, a λ-shaped effect was detected at 598 K, probably related to the phase transition of the second kind. A fundamental constant is determined — the standard heat capacity of LaСаTiMnO6, equal to 221±14 J /(mol×K). Its standard entropy, equal to 206±6 J/(mol×K), was estimated by the approximate method of ion increments. Based on experimental data, taking into account the temperature of the phase transition, the equations describing the temperature dependences of Ср°~¦(T) and the thermodynamic functions So (T), Ho (T) — Ho (298.15) and Фхх(Т) of the investigated titanium-manganite lanthanum and calcium are calculated. The standard heat capacity of LaСаTiMnO6 is also calculated using the Debye method, the value of which is in good agreement with experimental data. According to the developed methodology, the standard enthalpy of titanium-manganite formation was calculated, equal to — 3867.5 kJ/mol.

Features of Accounting for Geometric and Physical Nonlinearities in Long-Span Pneumatic Membrane Systems

Objective. The purpose of the study is to substantiate the need to take into account the geometric and physical nonlinearities in large-span membrane-pneumatic systems.Method. The study is based on the application of the parameter variation method; method of successive loadings; the iterative method of parameter increments using the third Euler-Cauchy numerical procedure or the Runge-Kutta method of a higher order of accuracy.Result. It has been established that the geometric non-linearity can be from 5 to 10% if the structure has a small or medium span, and the load on the structure is not very large, especially when it comes to section load. If the span of the structure is 120150 meters, and the load and deflections are large enough, then the geometric nonlinearity can be 20% or more. It was revealed that the physical nonlinearity, which we took into account by the standard Euler-Cauchy procedure of the third order of accuracy, with a large span of the structure and a large load is approximately 13-21%, and the part of the physical nonlinearity of the air pumped between the hermetic membranes of the structure is determined using an improved formula Euler-Cauchy with the number of iterations 20-25, i.e. "aftereffect", according to the results of the study, ranges from 2-7%.Conclusion. A structure consisting of light metal structures can be erected within a few months on a finished pile or strip foundation. Such structures can easily withstand many types of dynamic loads, namely wind, seismic, vibration, and are one-third cheaper than buildings made from traditional materials.

Algorithm for numerical calculation of nonlinear lenticular membrane-pneumatic systems by iterative method of parameter increments taking into account the aftereffect of air pressure

Objective. The purpose of this study is to create a static calculation algorithm to determine the maximum bearing capacity of a lenticular membrane-pneumatic system for covering large spans under the action of external force loads.Method. A numerical study of a large-span membranepneumatic structure was carried out by the step method of incrementing parameters using the finite element method and the Euler-Cauchy numerical procedure of the third order of accuracy at the step.Result. The authors have developed a technique for computer static calculation of geometrically and physically nonlinear lenticular membrane-pneumatic systems of coatings for large span structures by the iterative method of parameter increments with the phased application of the finite element method in the form of the displacement method, the universal equation of gas state and the improved Euler-Cauchy numerical procedure of the third order of accuracy.Conclusion. Ignoring the aftereffect in the calculations means the imbalance of the system due to unbalanced pneumatic forces calculated with an error of 11.2% and affecting, as the calculations showed, in the amount of approximately 7% percent on the increment of excess air pressure in the lens.

Static calculation of the bearing capacity of a two-pole membrane-rod system taking into account the air-bearing effect using the numerical Euler-Cauchy procedure

Objective. The purpose of this study is to create a light, sufficiently rigid bearing coating, which can be strengthened by the air-supporting effect during overloads during force majeure. These structures can be erected in a very short time, both in combat conditions and during natural disasters. Method. The study was carried out in the software package "Program for calculating membrane-pneumatic structures by the step method using the numerical Euler-Cauchy procedure" according to the method of static calculation of membrane-pneumatic systems, taking into account non-linear factors. Result. A method for calculating air-supported double-belt membrane-rod systems for covering large spans by the iterative method of parameter increments using FEM and the Euler-Cauchy numerical procedure of the third order of accuracy has been developed. Conclusion. In design practice, the effect of strengthening the coating due to the air-supporting effect can approximately be taken equal to three. The use of the air-supported effect makes it possible to save significant funds, sometimes reaching up to 25% of the estimated cost of the structure due to the use of structural elements of a smaller section.

The Pontryagin maximum principle as a necessary and sufficient optimality condition in a variable structure optimal control problem

The authors consider one optimal control problem with a variable structure, described in various domains by a Goursat-Darboux system and a two-dimensional Volterra integral equation. Using one version of the method of increments, a necessary and sufficient condition for optimality is proved in the form of the Pontryagin maximum principle.

Long-Term Natural Gas Consumption Forecasting Based on Analog Method and Fuzzy Decision Tree

Classic forecasting methods of natural gas consumption extrapolate trends from the past to subsequent periods of time. The paper presents a different approach that uses analogues to create long-term forecasts of the annual natural gas consumption. The energy intensity (energy consumption per dollar of Gross Domestic Product—GDP) and gas share in energy mix in some countries, usually more developed, are the starting point for forecasts of other countries in the later period. The novelty of the approach arises in the use of cluster analysis to create similar groups of countries and periods based on two indicators: energy intensity of GDP and share of natural gas consumption in the energy mix, and then the use of fuzzy decision trees for classifying countries in different years into clusters based on several other economic indicators. The final long-term forecasts are obtained with the use of fuzzy decision trees by combining the forecasts for different fuzzy sets made by the method of relative chain increments. The forecast accuracy of our method is higher than that of other benchmark methods. The proposed method may be an excellent tool for forecasting long-term territorial natural gas consumption for any administrative unit.

Scaling up electronic structure calculations on quantum computers: The frozen natural orbital based method of increments.

The method of increments and frozen natural orbital (MI-FNO) framework is introduced to help expedite the application of noisy, intermediate-scale quantum (NISQ) devices for quantum chemistry simulations. The MI-FNO framework provides a systematic reduction of the occupied and virtual orbital spaces for quantum chemistry simulations. The correlation energies of the resulting increments from the MI-FNO reduction can then be solved by various algorithms, including quantum algorithms such as the phase estimation algorithm and the variational quantum eigensolver (VQE). The unitary coupled-cluster singles and doubles VQE framework is used to obtain correlation energies for the case of small molecules (i.e., BeH2, CH4, NH3, H2O, and HF) using the cc-pVDZ basis set. The quantum resource requirements are estimated for a constrained geometry complex catalyst that is utilized in industrial settings for the polymerization of α-olefins. We show that the MI-FNO approach provides a significant reduction in the quantum bit (qubit) requirements relative to the full system simulations. We propose that the MI-FNO framework can create scalable examples of quantum chemistry problems that are appropriate for assessing the progress of NISQ devices.

Аналог линеаризованного принципа максимума для задачи оптимального управления нелинейными разностными уравнениями дробного порядка

Problem of optimal control of an object, described by a system of nonlinear difference equations of fractional order, is considered. Applying one version of the method of increments, a discrete an-alogue of the linearized maximum principle is established

Distribution constants and group increments of organic substances in the extraction systems of water saline–hexane

In the extraction systems of hexane–aqueous solutions of potassium carbonate, ammonium sulfate and sodium chloride, the distribution of a number of organic compounds (benzyl alcohol, tetrahydrofuran, phenol, aniline, pyridine, pyridazine, pyrimidine, n-butylamine, diethylamine, triethylamine, benzylamine) was studied. It was shown that sodium chloride, the most frequently used as a salting out agent, is noticeably inferior in salting ability to potassium carbonate, dipotassium phosphate and ammonium sulfate, since it contains singly charged ions with a relatively low charge density. Using the method of group increments on the example of aliphatic alcohols, the salting out ability of a number of mineral salts with singly charged ions was evaluated. By the value of this ability, the salts studied are arranged in the following order: NaNO2 > NaCl > KCl ~ NaBr > NaClO4 > KJ > NH4NO3 > NH4SCN. At the same time, the salting out effect of the last four salts from the above series is small. Based on the usage of the group increment method, the nature of the salting out effect is additionally confirmed, which consists, first of all, in strengthening the structure of the saline solution and increasing the increment of the methylene group (ICH2) with increasing the salt concentration.

О влиянии параметра гибкости на термодинамические свойства сополимеров акрилонитрила и метилвинилпиридина

We used thermal analysis to investigate the effects of temperature (20--300 °C) on the behaviour of acrylonitrile and methylvinylpyridine copolymers and determine the temperature ranges in which segmental mobility develops in them, as well as their glass transition temperatures. Data obtained via differential thermal analysis allowed us to compute activation energies for vitrification processes in copolymers of the series specified and to plot vitrification temperature as a function of copolymer composition. We used the method of increments to compute flexibility parameters for acrylonitrile and 2-methyl-5-vinylpyridine and analyse the effects of flexibility parameters on the manifestation of relaxation processes. The data obtained may be used to amend manufacturing parameters when developing chemisorptive filter materials based on the specified copolymer series.

On the possibility of evaluative prediction of the extraction of organic substances of complex structure using the method of group increments

The distribution of pesticides of different classes (amides, anilinopyrimidines, benzene derivatives, benzoylphenylureas, benzenesulfonates, hydrazides, dinitroanilines, carbamates, pyretroids, pyrimidines, tetrazines, triazoles, pheny lureas, organophosphorus compounds, esters of carboxylic acids) was studied at 20 ± 1 °C in the extraction systems of hexane–water, hexane–acetonitrile, hexane– acetonitrile and water mixture that are most often used in analytical chemistry of pesticides. The distribution constants P of pesticides and the increments of logarithms of the distribution constants If of their functional groups between the hydrocarbon and polar phases are calculated. Two main methods for evaluative prediction of lg P of pesticides are proposed and approved – substitutive method based on the calculation of lg P by replacing the substituents in the base molecule and the method of absolute addition of increments. The possibilities of the both methods are illustrated. The reasons for the deviations of the experimental values from the calculated ones are discussed. The influence of the nature and composition of the polar phase on the magnitudes of the observed deviations is estimated. In particular, they decrease dramatically with an increase in the acetonitrile content in the polar phase. Averaged values of correction to the calculated values of lg P are introduced. In most cases, they allow predicting lg P of pesticides with a deviation of not more than 0.5–1.0 from the calculated one.

Evaluation of full valence correlation energies and gradients.

Complete-active-space self-consistent field (CASSCF) wave functions are central to understanding strongly correlated molecules as they capture the entirety of electronic interactions within a subset of the orbital space. The most interesting case for CASSCF is the full valence limit, where all bonding and an equal number of virtual orbitals are included in the active space, and no approximation is made in selecting the important valence orbitals or electrons. While conventional algorithms require exponential computational time to evaluate full valence CASSCF, this article shows that the method of increments can do the same with polynomial effort, in a new method denoted iCASSCF. The method of increments can also provide density matrices and other necessary ingredients for the construction of the nuclear gradient. These goals are met through a many-body expansion that breaks the problem into smaller pieces that are subsequently reassembled to form close approximations of conventional CAS results. Practical demonstrations on a number of medium-sized molecules, with up to 116 valence electrons correlated in 116 orbitals, show the power of this methodology.

Quantification of electron correlation effects: Quantum Information Theory vs Method of Increments

AbstractUnderstanding electron correlation is crucial for developing new concepts in electronic structure theory, especially for strongly correlated electrons. We compare and apply two different approaches to quantify correlation contributions of orbitals: Quantum Information Theory (QIT) based on a Density Matrix Renormalization Group (DMRG) calculation and the Method of Increments (MoI). Although both approaches define very different correlation measures, we show that they exhibit very similar patterns when being applied to a polyacetelene model system. These results suggest one may deduce from one to the other, allowing the MoI to leverage from QIT results by screening correlation contributions with a cheap (“sloppy”) DMRG with a reduced number of block states. Or the other way around, one may select the active space in DMRG from cheap one‐body MoI calculations.

The Crystal Structure of α-F2 : Solving a 50 Year Old Puzzle Computationally.

The cohesive energy of α-fluorine, with C2/c space group symmetry, was calculated at benchmark quality by applying the method of increments. The known experimental X-ray structure data needed to be refined, since the reported intramolecular bond length was unrealistically large. At the CCSD(T) level, including corrections for zero-point energy, the basis set superposition error, and extrapolated to the complete basis set limit, a cohesive energy of -8.72 kJ mol-1 was calculated, which agrees well with the 0 K-extrapolated experimental value of -8.35 kJ mol-1 . Comparison of the C2/c structure with a Cmca structure, isotypic to that of chlorine, bromine, and iodine reveals that the origin of the different structure of solid fluorine, compared to the heavier halogens, is the lack of significantly stabilizing σ-hole interactions. In addition, the wave numbers of the stretching mode in solid fluorine were calculated at coupled cluster level and compared to newly recorded Raman spectra of condensed fluorine. Both experiment and calculation indicate a slight up-shift for the stretching mode by 2 or 5 cm-1 , respectively, with respect to a free F2 molecule in the gas phase.

МЕТОДИКА ОЦЕНКИ ГОТОВНОСТИ К РАБОТЕ ОБОРУДОВАНИЯ АСПВБ ПЕРВОГО УРОВНЯ ИНФОРМИРОВАНИЯ НА ОБЪЕКТАХ ТЭК В ОСОБЫХ УСЛОВИЯХ

Introduction . The necessity of obtaining by decision makers (DM) of complete information on first level information distribution equipment operating readiness of Automated Process Control Systems (APCS) at any time. Data on the pre-fire condition at a facility of the fuel and energy complex (FEC) is transmitted using the control elements of Automated Fire and Explosion Safety Systems (AFES) as a part of the APCS. The connection of determining the state of readiness of the AFES equipment with the degree of preventive maintenance is shown. The aim of the study is to obtain a scientifically based tool for determining AFES equipment operating readiness. Research methods . In order to solve the problem, there was selected a six-level graph of strategic planning model that is offered to a DM for use while evaluating the first level information distribution AFES equipment operating readiness. The hierarchy is based on the implementation of plans for the maintenance, repair and replacement of equipment. There were simulated verification measures and remedial procedures by using the method of successive increments. Two problems of mathematical programming are proposed — linear and nonlinear one. In the first case, a new form of the objective function was obtained, taking into account the maximum efficiency of plans implementation. In the nonlinear formulation in different forms, the criterion search function is considered to estimate the maximum efficiency. Optimal task solving is a conclusion about the use of a certain resource for one specific event. Study results . The conclusion was made about the feasibility of using the entire resource for a specific event. When solving the optimization problem in the nonlinear formulation, the dynamism of the parameters of the planned work vector to bring the first level AFES information sources in the required state, as well as the work performance intensity vector, is noted. As a result, there was proposed an AFES equipment integral operating readiness formula for a certain number of remedial measures. Conclusion . A method for evaluating the effectiveness of remedial measures for AFES, taking into account the resource limited by special conditions, is obtained. The use of the method gives an opportunity for on-duty shifts of the fuel and energy complex facility to promptly respond to pre-fire situations.

Расчет параметров гибкости и моделирование структуры поли-4-метилпентена-1

We used the method of increments to compute thermodynamic characteristics of poly(4-methylpentene-1), specifically the Kuhn segment as a parameter of flexibility and packing density. In order to carry out the computations, we composed equations that take into account every atom in the repeat unit and the chemical bond types found in the macromolecule. The values obtained made it possible to classify poly(4-methylpentene-1) as a flexible polymer featuring high free volume. We consider possible structural transformation models for the polymer when the temperature varies in the 293...773 K range. Comparing model representations to structural transformations investigated experimentally explains a wide scope of experimentally detected relaxation and phase transitions.

Calculation of Stable Isotope (O, C, Ca) Fractionation Factors for Apatite

The isotope fractionation β-factors have been determined for hydroxyapatite, fluorapatite, and carbon–apatite upon 18O/16O, 13C/12C, and 44Ca/40Ca substitutions depending on the temperature. Calculations were performed based on density functional theory (DFT). The results are expressed in terms of cubic polynomials against x = 106/T(K)2 and can be utilized as geothermometers if combined with β-factors of the coexisting phases. The new values of β-factors completely supersede the conventional semi-empirical (estimated by the method of increments) calibrations of isotopic equilibria involving apatite.

Towards a multiconfigurational method of increments

ABSTRACTThe method of increments (MoI) allows one to successfully calculate cohesive energies of bulk materials with high accuracy, but it encounters difficulties when calculating dissociation curves. The reason is that its standard formalism is based on a single Hartree–Fock (HF) configuration whose orbitals are localised and used for the many-body expansion. In situations where HF does not allow a size-consistent description of the dissociation, the MoI cannot be guaranteed to yield proper results either. Herein, we address the problem by employing a size-consistent multiconfigurational reference for the MoI formalism. This leads to a matrix equation where a coupling derived by the reference itself is employed. In principle, such an approach allows one to evaluate approximate values for the ground as well as excited states energies. While the latter are accurate close to the avoided crossing only, the ground state results are very promising for the whole dissociation curve, as shown by the comparison with density matrix renormalisation group benchmarks. We tested this two-state constant-coupling MoI on beryllium rings of different sizes and studied the error introduced by the constant coupling.