Search results for: state estimate

Authors: Abdullah Eqal Al Mazrooei

Abstract:

In this work, a new nonlinear model will be introduced. The model is in the state-space form. The nonlinearity of this model is in the state equation where the state vector is multiplied by its self. This technique makes our model generalizes many famous models as Lotka-Volterra model and Lorenz model which have many applications in the real life. We will apply our new model to estimate the wind speed by using a new nonlinear estimator which suitable to work with our model.

Keywords: nonlinear systems, state-space model, Kronecker product, nonlinear estimator

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Authors: Abdullah Alhomidan

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This study is conducted to identify the main factors affecting accuracy of pretender cost estimate in building construction projects in Saudi Arabia from owners’ perspective. 44 factors affecting pretender cost estimate were identified through literature review and discussion with some construction experts. The results show that the top important factors affecting pretender cost estimate accuracy are: level of competitors in the tendering, material price changes, communications with suppliers, communications with client, and estimating method used.

Keywords: cost estimate, accuracy, pretender, estimating, bid estimate

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Authors: F. Benhamida, A. Graa, L. Benameur, I. Ziane

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The state estimation of the electrical power system operation state is very important for supervising task. With the nonlinearity of the AC power flow model, the state estimation problem (SEP) is a nonlinear mathematical problem with many local optima. This paper treat the mathematical model for the SEP and the monitoring of the nonlinear systems of great dimensions with an application on power electrical system, the modelling, the analysis and state estimation synthesis in order to supervise the power system behavior. in fact, it is very difficult, to see impossible, (for reasons of accessibility, techniques and/or of cost) to measure the excessive number of the variables of state in a large-sized system. It is thus important to develop software sensors being able to produce a reliable estimate of the variables necessary for the diagnosis and also for the control.

Keywords: power system, state estimation, robustness, observability

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Authors: Dalson Figueiredo, Enivaldo Rocha, Ranulfo Paranhos, José Alexandre

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This paper analyzes the effects of institutional capacity on corruption. Methodologically, the research design combines both descriptive and multivariate statistics to examine two original datasets based on secondary data. In particular, we employ a principal component model to estimate an indicator of institutional capacity for both state audit institutions and subnational judiciary courts. Then, we estimate the effect of institutional capacity on two dependent variables: (1) incidence of administrative irregularities and (2) time elapsed to judge corruption cases. The preliminary results using ordinary least squares, negative binomial and Tobit models suggest the same conclusions: higher the institutional audit capacity, higher is the probability of detecting a corruption case. On the other hand, higher the institutional capacity of state judiciary, the lower is the time to judge corruption cases.

Keywords: institutional capacity, corruption, state level institutions, evidence from Brazil

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Authors: Xiaowei Zhang, Min Xu, Saeid Habibi, Fengjun Yan, Ryan Ahmed

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Recently, Electric Vehicles (EVs) have received extensive consideration since they offer a more sustainable and greener transportation alternative compared to fossil-fuel propelled vehicles. Lithium-Ion (Li-ion) batteries are increasingly being deployed in EVs because of their high energy density, high cell-level voltage, and low rate of self-discharge. Since Li-ion batteries represent the most expensive component in the EV powertrain, accurate monitoring and control strategies must be executed to ensure their prolonged lifespan. The Battery Management System (BMS) has to accurately estimate parameters such as the battery State-of-Charge (SOC), State-of-Health (SOH), and Remaining Useful Life (RUL). In order for the BMS to estimate these parameters, an accurate and control-oriented battery model has to work collaboratively with a robust state and parameter estimation strategy. Since battery physical parameters, such as the internal resistance and diffusion coefficient change depending on the battery state-of-life (SOL), the BMS has to be adaptive to accommodate for this change. In this paper, an extensive battery aging study has been conducted over 12-months period on 5.4 Ah, 3.7 V Lithium polymer cells. Instead of using fixed charging/discharging aging cycles at fixed C-rate, a set of real-world driving scenarios have been used to age the cells. The test has been interrupted every 5% capacity degradation by a set of reference performance tests to assess the battery degradation and track model parameters. As battery ages, the combined model parameters are optimized and tracked in an offline mode over the entire batteries lifespan. Based on the optimized model, a state and parameter estimation strategy based on the Extended Kalman Filter (EKF) and the relatively new Smooth Variable Structure Filter (SVSF) have been applied to estimate the SOC at various states of life.

Keywords: lithium-ion batteries, genetic algorithm optimization, battery aging test, parameter identification

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Authors: Tiee-Jian Wu, Chih-Yuan Hsu

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Mode estimation is an important task, because it has applications to data from a wide variety of sources. We propose a semi-parametric approach to estimate the mode of an unknown continuous multivariate density function. Our approach is based on a weighted average of a parametric density estimate using the Box-Cox transform and a non-parametric kernel density estimate. Our semi-parametric mode estimate improves both the parametric- and non-parametric- mode estimates. Specifically, our mode estimate solves the non-consistency problem of parametric mode estimates (at large sample sizes) and reduces the variability of non-parametric mode estimates (at small sample sizes). The performance of our method at practical sample sizes is demonstrated by simulation examples and two real examples from the fields of climatology and image recognition.

Keywords: Box-Cox transform, density estimation, mode seeking, semiparametric method

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Authors: Abdul Halim Abdul, Wan Ismail Wan Yusoff

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The geological formation at Limau Manis Besar area, are consist of low grade metamorphic rock and undulating mountaineers, rugged terrain and the quite steeply 45 degree slope gradient. The objectives of this paper are present the methods and devices used in measurement of P-wave velocity to estimate the initial Shear Modulus (Go) in steady state and critical state soil consolidation. The relationship between SPT-N values and the Shear Modulus (Go) at very small strain is widely considered to be evaluated. Based on the seismic reflection survey, the constant (K) poroelastic theory, mean effectives stress and primer wave velocity (Vs) increase as the soil depth increase. The steady state and critical state, Degree of Soil Consolidation(U) concept is used to interpret the behavior of Shear Modulus (Go). The relationship between Consolidation Test and Seismic Reflection Survey is also discussed.

Keywords: geological setting, shear modulus, poroelastic theory, steady state and none steady state degree of soil consolidation, consolidation test

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Authors: Mouna Abarkan, Abdelillah Byou, Nacer M'Sirdi, El Hossain Abarkan

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This paper presents the estimation of the state of charge of the battery using two types of observers. The battery model used is the combination of a voltage source, which is the open circuit battery voltage of a strength corresponding to the connection of resistors and electrolyte and a series of parallel RC circuits representing charge transfer phenomena and diffusion. An adaptive observer applied to this model is proposed, this observer to estimate the battery state of charge of the battery is based on EFK and sliding mode that is known for their robustness and simplicity implementation. The results are validated by simulation under MATLAB/Simulink and implemented in Arduino-LabView.

Keywords: model of the battery, adaptive sliding mode observer, the EFK observer, estimation of state of charge, SOC, implementation in Arduino/LabView

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Authors: Abdullah Eqal Al Mazrooei

Abstract:

Kalman filter is a famous algorithm that utilizes to estimate the state in the linear systems. It has numerous applications in technology and science. Since of the most of applications in real life can be described by nonlinear systems. So, Kalman filter does not work with the nonlinear systems because it is suitable to linear systems only. In this work, a nonlinear filtering algorithm is presented which is suitable to use with the special kinds of nonlinear systems. This filter generalizes the Kalman filter. This means that this filter also can be used for the linear systems. Our algorithm depends on a special linearization of the second degree. We introduced the nonlinear algorithm with a bilinear state-space model. A simulation example is presented to illustrate the efficiency of the algorithm.

Keywords: Kalman filter, filtering algorithm, nonlinear systems, state-space model

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Authors: Masaki Omata, Shumma Hosokawa

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An experiment to verify the relationships between physiological indexes of an e-learner and the presence or absence of an operation during e-learning is described. Electroencephalogram (EEG), hemoencephalography (HEG), skin conductance (SC), and blood volume pulse (BVP) values were measured while participants performed experimental learning tasks. The results show that there are significant differences between the SC values when reading with clicking on learning materials and the SC values when reading without clicking, and between the HEG ratio when reading (with and without clicking) and the HEG ratio when resting for four of five participants. We conclude that the SC signals can be used to estimate whether or not a learner is performing an active task and that the HEG ratios can be used to estimate whether a learner is learning.

Keywords: e-learning, physiological index, physiological signal, state of learning

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Authors: R. Simutis, V. Galvanauskas, D. Levisauskas, J. Repsyte, V. Grincas

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This paper deals with advanced state estimation algorithms for estimation of biomass concentration and specific growth rate in a typical fed-batch biotechnological process. This biotechnological process was represented by a nonlinear mass-balance based process model. Extended Kalman Filter (EKF) and Particle Filter (PF) was used to estimate the unmeasured state variables from oxygen uptake rate (OUR) and base consumption (BC) measurements. To obtain more general results, a simplified process model was involved in EKF and PF estimation algorithms. This model doesn’t require any special growth kinetic equations and could be applied for state estimation in various bioprocesses. The focus of this investigation was concentrated on the comparison of the estimation quality of the EKF and PF estimators by applying different measurement noises. The simulation results show that Particle Filter algorithm requires significantly more computation time for state estimation but gives lower estimation errors both for biomass concentration and specific growth rate. Also the tuning procedure for Particle Filter is simpler than for EKF. Consequently, Particle Filter should be preferred in real applications, especially for monitoring of industrial bioprocesses where the simplified implementation procedures are always desirable.

Keywords: biomass concentration, extended Kalman filter, particle filter, state estimation, specific growth rate

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Authors: Joon-Hoon Park

Abstract:

The fundamental concept of observability is important in both theoretical and practical points of modern control systems. In modern control theory, a control system has criteria for determining the design solution exists for the system parameters and design objectives. The idea of observability relates to the condition of observing or estimating the state variables from the output variables that is generally measurable. To design closed-loop control system, the practical problems of implementing the feedback of the state variables must be considered and implementing state feedback control problem has been existed in this case. All the state variables are not available, so it is requisite to design and implement an observer that will estimate the state variables form the output parameters. However sometimes unknown inputs are presented in control systems as practical cases. This paper presents a design method and algorithm for observer of control system with unknown input parameters based on Rationalized Haar transform. The proposed method is more advantageous than the other numerical method.

Keywords: orthogonal functions, rationalized Haar transforms, control system observer, algebraic method

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Authors: Rania A. Aboalela, Javed I. Khan

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This research presents a learning assessment theory of Cognitive Skill in Concept Space (CS2) to measure the assessed knowledge in terms of cognitive skill levels of the concepts. The cognitive skill levels refer to levels such as if a student has acquired the state at the level of understanding, or applying, or analyzing, etc. The theory is comprised of three constructions: Graph paradigm of a semantic/ ontological scheme, the concept states of the theory and the assessment analytics which is the process to estimate the sets of concept state at a certain skill level. Concept state means if a student has already learned, or is ready to learn, or is not ready to learn a certain skill level. The experiment is conducted to prove the validation of the theory CS2.

Keywords: cognitive skill levels, concept states, concept space, knowledge assessment theory

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Authors: Mesias Alfeus, Kirsty Fitzhenry, Alessia Lederer

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The present paper provides empirical studies to estimate defaultable bonds in the South African financial market. The main goal is to estimate the unobservable factors affecting bond yields for South African major banks. The maximum likelihood approach is adopted for the estimation methodology. Extended Kalman filtering techniques are employed in order to tackle the situation that the factors cannot be observed directly. Multi-dimensional Cox-Ingersoll-Ross (CIR)-type factor models are considered. Results show that default risk increased sharply in the South African financial market during COVID-19 and the CIR model with jumps exhibits a better performance.

Keywords: default intensity, unobservable state variables, CIR, α-CIR, extended kalman filtering

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Authors: Yuji Kageyama, Shin Nagata, Tatsuya Takino, Izuru Nomura, Hiroyuki Kamata

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In previous study, technique to estimate a self-location by using a lunar image is proposed. We consider the improvement of the conventional method in consideration of FPGA implementation in this paper. Specifically, we introduce Artificial Bee Colony algorithm for reduction of search time. In addition, we use fixed point arithmetic to enable high-speed operation on FPGA.

Keywords: SLIM, Artificial Bee Colony Algorithm, location estimate, evolutional triangle similarity

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Authors: Priyesh Kumar Pandey, Zakir Husain, R. K. Jarial

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Condition monitoring and diagnostic is important for testing of power transformer in order to estimate the remnant life. Concentration of furan content in transformer oil can be a promising indirect measurement of the aging of transformer insulation. The oil gets contaminated mainly due to ageing. The present paper introduces adaptive neuro fuzzy technique to correlate furanic compounds obtained by high performance liquid chromatography (HPLC) test and remnant life of the power transformer. The results are obtained by conducting HPLC test at TIFAC-CORE lab, NIT Hamirpur on thirteen power transformer oil samples taken from Himachal State Electricity Board, India.

Keywords: adaptive neuro fuzzy technique, furan compounds, remnant life, transformer oil

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Authors: E. Marušić-Paloka, I. Pažanin, M. Prša

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Subject of this study is the stationary heat conduction problem through a pipe filled with incompressible viscous fluid. In previous work, we observed the existence and uniqueness theorems for the corresponding boundary-value problem and within we have taken into account the effects of the pipe's dilatation due to the temperature of the fluid inside of the pipe. The main difficulty comes from the fact that flow domain changes depending on the solution of the observed heat equation leading to a non-standard coupled governing problem. The goal of this work is to find solution estimate since the exact solution of the studied problem is not possible to determine. We use an asymptotic expansion in order of a small parameter which is presented as a heat expansion coefficient of the pipe's material. Furthermore, an error estimate is provided for the mentioned asymptotic approximation of the solution for inner area of the pipe. Close to the boundary, problem becomes more complex so different approaches are observed, mainly Theory of Perturbations and Separations of Variables. In view of that, error estimate for the whole approximation will be provided with additional software simulations of gotten situation.

Keywords: asymptotic analysis, dilated pipe, error estimate, heat conduction

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Authors: Jin-Lung Guan, Jyh-Cherng Gu, Chun-Wei Huang, Hsin-Hung Chang

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This investigation develops a revisable method for estimating the estimate value of equivalent 10 Hz voltage flicker (DV10) of a DC Electric Arc Furnace (EAF). This study also discusses three 161kV DC EAFs by field measurement, with those results indicating that the estimated DV10 value is significantly smaller than the survey value. The key point is that the conventional means of estimating DV10 is inappropriate. There is a main cause as the assumed Qmax is too small. Although DC EAF is regularly operated in a constant MVA mode, the reactive power variation in the Main Transformer (MT) is more significant than that in the Furnace Transformer (FT). A substantial difference exists between estimated maximum reactive power fluctuation (DQmax) and the survey value from actual DC EAF operations. However, this study proposes a revisable method that can obtain a more accurate DV10 estimate than the conventional method.

Keywords: voltage flicker, dc EAF, estimate value, DV10

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Authors: Jason Sheng-Hong Tsai, Faezeh Ebrahimzadeh, Min-Ching Chung, Shu-Mei Guo, Leang-San Shieh, Tzong-Jiy Tsai, Li Wang

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In this paper, we first construct a new state and disturbance estimator using discrete-time proportional plus integral observer to estimate the system state and the unknown external disturbance for the discrete-time system with an input-to-output direct-feedthrough term. Then, the generalized optimal linear quadratic digital tracker design is applied to construct a proportional plus integral observer-based tracker for the system with an unknown external disturbance to have a desired tracking performance. Finally, a numerical simulation is given to demonstrate the effectiveness of the new application of our proposed approach.

Keywords: non-minimum phase system, optimal linear quadratic tracker, proportional plus integral observer, state and disturbance estimator

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Authors: Serdal Pamuk, Irem Cay

Abstract:

Our model is based on the theory of reinforced random walks coupled with Michealis-Menten mechanisms which view endothelial cell receptors as the catalysts for transforming both tumor and macrophage derived tumor angiogenesis factor (TAF) into proteolytic enzyme which in turn degrade the basal lamina. The model consists of two main parts. First part has seven differential equations (DE’s) in one space dimension over the capillary, whereas the second part has the same number of DE’s in two space dimensions in the extra cellular matrix (ECM). We connect these two parts via some boundary conditions to move the cells into the ECM in order to initiate capillary formation. But, when does this movement begin? To address this question we estimate the thresholds that activate the transport equations in the capillary. We do this by using steady-state analysis of TAF equation under some assumptions. Once these equations are activated endothelial, pericyte and macrophage cells begin to move into the ECM for the initiation of angiogenesis. We do believe that our results play an important role for the mechanisms of cell migration which are crucial for tumor angiogenesis. Furthermore, we estimate the long time tendency of these three cells, and find that they tend to the transition probability functions as time evolves. We provide our numerical solutions which are in good agreement with our theoretical results.

Keywords: angiogenesis, capillary formation, mathematical analysis, steady-state, transition probability function

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Authors: Alireza Gholami, Amir H. D. Markazi

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In this paper, an observer-based direct adaptive fuzzy sliding mode (OAFSM) algorithm is proposed. In the proposed algorithm, the zero-input dynamics of the plant could be unknown. The input connection matrix is used to combine the sliding surfaces of individual subsystems, and an adaptive fuzzy algorithm is used to estimate an equivalent sliding mode control input directly. The fuzzy membership functions, which were determined by time consuming try and error processes in previous works, are adjusted by adaptive algorithms. The other advantage of the proposed controller is that the input gain matrix is not limited to be diagonal, i.e. the plant could be over/under actuated provided that controllability and observability are preserved. An observer is constructed to directly estimate the state tracking error, and the nonlinear part of the observer is constructed by an adaptive fuzzy algorithm. The main advantage of the proposed observer is that, the measured outputs is not limited to the first entry of a canonical-form state vector. The closed-loop stability of the proposed method is proved using a Lyapunov-based approach. The proposed method is applied numerically on a multi-link robot manipulator, which verifies the performance of the closed-loop control. Moreover, the performance of the proposed algorithm is compared with some conventional control algorithms.

Keywords: adaptive algorithm, fuzzy systems, membership functions, observer

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Authors: Elaine Cristina Barboza, Antonio Jaschke Machado

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This paper discusses micrometeorological aspects of the urban climate in three cities in Western São Paulo State: Presidente Prudente, Assis, and Iepê. Particular attention is paid to the method used to estimate the components of the energy balance at the surface. Estimates of convective fluxes showed that the Bowen ratio was an indicator of the local climate and that its magnitude varied between 0.3 and 0.7. Maximum values for the Bowen ratio occurred earlier in Iepê (11:00 am) than in Presidente Prudente (4:00 pm). The results indicate that the Bowen ratio is modulated by the radiation balance at the surface and by different clusters of vegetation.

Keywords: Bowen ratio, medium-sized cities, surface energy balance, urban climate

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Authors: Kiamran Radjabli

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State Estimator became an intrinsic part of Energy Management Systems (EMS). The SCADA measurements received from the field are processed by the State Estimator in order to accurately determine the actual operating state of the power systems and provide that information to other real-time network applications. All EMS vendors offer a State Estimator functionality in their baseline products. However, setting up and ensuring that State Estimator consistently produces a reliable solution often consumes a substantial engineering effort. This paper provides generic recommendations and describes a simple practical approach to efficient tuning of State Estimator, based on the working experience with major EMS software platforms and consulting projects in many electrical utilities of the USA.

Keywords: convergence, monitoring, state estimator, performance, troubleshooting, tuning, power systems

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Authors: Heesu Kim

Abstract:

This paper determines the varieties of state roles played in East Asia’s telecommunication market, regarding broadband industry. Technological capacity and the relationship between state and market affect the varieties of state role. In explaining the state’s engagement in the market, technology has always been considered as a necessary and sufficient condition. However technology variable has been useful in only explaining the extent of state’s involvement. This paper contributes by bringing in the political-economic factor, which is the relationship between state and market. This factor aids in distinguishing the varieties of state role played in emerging industries. Interaction between these two variables distinguishes 4 types of state roles played in the broadband industry. These roles are distinguished and characterized by the intensity of state’s intervention and the existence of technological capacity. This paper classifies four types of state role through the case of Singapore, China, Taiwan and Korea’s broadband industrial policy.

Keywords: East Asia, entrpreneurial state, industrial policy, regulatory state, technological capacity

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Authors: Wen Liu

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With the rapid progress of modern cities, the railway construction must be developing quickly in China. As a typical high-density country, shopping center on the subway should be one important factor during the process of urban development. The paper discusses the influence of the layout of shopping center on the subway, and put it in the time and space’s axis of Shanghai urban development. We use the digital technology to establish the database of relevant information. And then get the change role about shopping center on subway in Shanghaiby the Kernel density estimate. The result shows the development of shopping center on subway has a relationship with local economic strength, population size, policy support, and city construction. And the suburbanization trend of shopping center would be increasingly significant. By this case research, we could see the Kernel density estimate is an efficient analysis method on the spatial layout. It could reveal the characters of layout form of shopping center on subway in essence. And it can also be applied to the other research of space form.

Keywords: Shanghai, shopping center on the subway, layout form, Kernel density estimate

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Authors: Adnan A. Y. Mustafa

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In this paper we present a quick technique to measure the similarity between binary images. The technique is based on a probabilistic mapping approach and is fast because only a minute percentage of the image pixels need to be compared to measure the similarity, and not the whole image. We exploit the power of the Probabilistic Matching Model for Binary Images (PMMBI) to arrive at an estimate of the similarity. We show that the estimate is a good approximation of the actual value, and the quality of the estimate can be improved further with increased image mappings. Furthermore, the technique is image size invariant; the similarity between big images can be measured as fast as that for small images. Examples of trials conducted on real images are presented.

Keywords: big images, binary images, image matching, image similarity

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Authors: Pooja Bakshi

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In the following paper, an attempt would be made to engage with the relationship between the state and the imperatives of security from a gendered lens. This will be juxtaposed with the feminist engagement with International Law. Theorizations from the literature on South Asian politics and Global politics would be applied to the manner in which the Indian state has defined and proposed to deal with concerns of internal security pertaining to the ‘Left Wing Extremism’ in 2010-2011. It would be argued that the state needs to be disaggregated into the legislature, executive and the judiciary; since there are times when some institutional parts of the state provide space for progressive democratic engagement whilst other institutions don’t. The specific contours of violence faced by women and children at the hands of the state, in the above-mentioned discourse would also be examined. In the end, implications of the security state discourse on debates in International Law would be elaborated.

Keywords: feminist engagement, human rights, state response to left extremism, security studies in South Asia

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Authors: Dilip Gogoi

Abstract:

This paper attempts to explore the notion of sovereign state system, its emergence and legitimization by the treaty of Westphalia, 1648 in Europe and examines how the very notion of sovereign state is subject to changes in the later part of the 20th century both politically and economically in the wake of globalisation. The paper firstly traces the tradition of Westphalian sovereign state system which influenced the dominant understanding about sovereign state system till mid 20th century. Secondly, it explores how the notion of sovereign nation state is subjected to change in the post World War II specially in the context of universal acceptance of human rights and right to intervene in internal affairs of a sovereign state to protect the same, the decolonization and legitimization of the principle of self determination and through the experience of European Integration. Thirdly, it analyses how globalisation drives certain fundamental changes and poses challenges to the sovereign state system. The concluding part of the paper argues that sovereign state system is relevant and will continue to be relevant although it needs to redefine its role in the changing global environment.

Keywords: Westphalia, sovereignty, nation-state system, intervention, globalisation

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Authors: Seung-Jun Yu, Yong-Jun Kim, Jung-In Baik, Hyoung-Kyu Song

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In this paper, a dual-hop relay based on channel state is studied. In the conventional relay scheme, a relay uses the same modulation method without reference to channel state. But, a relay uses an adaptive modulation method with reference to channel state. If the channel state is poor, a relay eliminates latter 2 bits and uses Quadrature Phase Shift Keying (QPSK) modulation. If channel state is good, a relay modulates the received symbols with 16-QAM symbols by using 4 bits. The performance of the proposed scheme for Symbol Error Rate (SER) and throughput is analyzed.

Keywords: adaptive transmission, channel state, dual-hop, hierarchical modulation, relay

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Authors: Abas Mohsenzadeh, Mina Arya, Kim Bolton

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Catalytic combustion of hydrocarbons is an important technology developed to produce energy with minimum pollutant formation. The catalyst plays a key role in this process which operates at lower temperatures compared to conventional flame combustion. The energetics of the direct combustion of hydrocarbons (CH → C + H) on a series of metal surfaces including Ag, Au, Al, Cu, Rh, Pt, Pd, Ni, Fe and Co were investigated using density functional theory (DFT). Brønsted-Evans-Polanyi (BEP) and transition state scaling (TSS) correlations were proposed based on DFT calculations on the Ag, Au, Al, Cu, Rh, Pt and Pd surfaces. These correlations were then used to estimate the energetics on Fe, Ni and Co surfaces. Results showed that the estimated reaction and activation energies by BEP and TSS correlations on Fe, Ni and Co surfaces are in an excellent agreement with those obtained by DFT calculations. Therefore these correlations can be efficiently used to predict energetics of similar reactions on these surfaces without doing computationally costly transition state calculations. It was found that the activation barrier for CH dissociation follows the order Ag ˃ Au ˃ Al ˃ Cu ˃ Pt ˃ Pd ˃ Ni > Co > Rh > Fe. Also, BEP (with R2 value of 0.96) and TSS correlations (with R2 value of 0.99) support the results.

Keywords: BEP, DFT, hydrocarbon combustion, metal surfaces, TSS

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