Search results for: molecular identification
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 1201

Search results for: molecular identification

1171 Molecular and Electronic Structure of Chromium (III) Cyclopentadienyl Complexes

Authors: Salem El-tohami Ashoor

Abstract:

Here, we have shown the reaction of [Cr(ArN(CH2)3NAr)2Cl2] (1) where (Ar = 2,6-Pri 2C6H3) and in presence of NaCp (2) (Cp= C5H5 = cyclopentadien), with a center coordination η5 interaction between Cp as co-ligand and chromium metal center, for optimization we used density functional theory (DFT), under methods, explicitly including electrons correlations, for the final calculations as MB3LYP (Becke) (Lee–Yang–Parr) level of theory we used to obtain more exact results. This complex was calculated as electronic energy for molecular system, because the calculation accounting all electrons correlations interactions. The optimised of [Cr(ArN(CH2)3NAr)2(η5-Cp)] (Ar = 2,6-Pri2C6H3 and Cp = C5H5) was found to be thermally stable. By using Dewar-Chatt-Duncanson model, as a basis of the molecular orbital (MO) analysis and showed the highest occupied molecular orbital (HOMO) and lowest occupied molecular orbital LUMO.

Keywords: Chromium (III) cyclopentadienyl complexes, DFT, MO, HOMO, LUMO.

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1170 Vibration Base Identification of Impact Force Using Genetic Algorithm

Authors: R. Hashemi, M.H.Kargarnovin

Abstract:

This paper presents the identification of the impact force acting on a simply supported beam. The force identification is an inverse problem in which the measured response of the structure is used to determine the applied force. The identification problem is formulated as an optimization problem and the genetic algorithm is utilized to solve the optimization problem. The objective function is calculated on the difference between analytical and measured responses and the decision variables are the location and magnitude of the applied force. The results from simulation show the effectiveness of the approach and its robustness vs. the measurement noise and sensor location.

Keywords: Genetic Algorithm, Inverse problem, Optimization, Vibration.

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1169 Causal Relation Identification Using Convolutional Neural Networks and Knowledge Based Features

Authors: Tharini N. de Silva, Xiao Zhibo, Zhao Rui, Mao Kezhi

Abstract:

Causal relation identification is a crucial task in information extraction and knowledge discovery. In this work, we present two approaches to causal relation identification. The first is a classification model trained on a set of knowledge-based features. The second is a deep learning based approach training a model using convolutional neural networks to classify causal relations. We experiment with several different convolutional neural networks (CNN) models based on previous work on relation extraction as well as our own research. Our models are able to identify both explicit and implicit causal relations as well as the direction of the causal relation. The results of our experiments show a higher accuracy than previously achieved for causal relation identification tasks.

Keywords: Causal relation identification, convolutional neural networks, natural Language Processing, Machine Learning.

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1168 Identification of Individual Objects at the Intelligent Assembly Cell

Authors: Ružarovský, Roman, Danišová, Nina, Velíšek, Karol

Abstract:

In this contribution is presented a complex design of individual objects identification in the workplace of intelligent assembly cell. Intelligent assembly cell is situated at Institute of Manufacturing Systems and Applied Mechanics and is used for pneumatic actuator assembly. Pneumatic actuator components are pneumatic roller, cover, piston and spring. Two identification objects alternatives for assembly are designed in the workplace of industrial robot. In the contribution is evaluated and selected suitable alternative for identification – 2D codes reader. The complex design of individual object identification is going out of intelligent manufacturing systems knowledge. Intelligent assembly and manufacturing systems as systems of new generation are gradually loaded in to the mechanical production, when they are removeing human operation out of production process and they also short production times.

Keywords: system, cell, intelligent, mechanics, device

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1167 Methods for Distinction of Cattle Using Supervised Learning

Authors: Radoslav Židek, Veronika Šidlová, Radovan Kasarda, Birgit Fuerst-Waltl

Abstract:

Machine learning represents a set of topics dealing with the creation and evaluation of algorithms that facilitate pattern recognition, classification, and prediction, based on models derived from existing data. The data can present identification patterns which are used to classify into groups. The result of the analysis is the pattern which can be used for identification of data set without the need to obtain input data used for creation of this pattern. An important requirement in this process is careful data preparation validation of model used and its suitable interpretation. For breeders, it is important to know the origin of animals from the point of the genetic diversity. In case of missing pedigree information, other methods can be used for traceability of animal´s origin. Genetic diversity written in genetic data is holding relatively useful information to identify animals originated from individual countries. We can conclude that the application of data mining for molecular genetic data using supervised learning is an appropriate tool for hypothesis testing and identifying an individual.

Keywords: Genetic data, Pinzgau cattle, supervised learning.

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1166 Modeling of a UAV Longitudinal Dynamics through System Identification Technique

Authors: Asadullah I. Qazi, Mansoor Ahsan, Zahir Ashraf, Uzair Ahmad

Abstract:

System identification of an Unmanned Aerial Vehicle (UAV), to acquire its mathematical model, is a significant step in the process of aircraft flight automation. The need for reliable mathematical model is an established requirement for autopilot design, flight simulator development, aircraft performance appraisal, analysis of aircraft modifications, preflight testing of prototype aircraft and investigation of fatigue life and stress distribution etc.  This research is aimed at system identification of a fixed wing UAV by means of specifically designed flight experiment. The purposely designed flight maneuvers were performed on the UAV and aircraft states were recorded during these flights. Acquired data were preprocessed for noise filtering and bias removal followed by parameter estimation of longitudinal dynamics transfer functions using MATLAB system identification toolbox. Black box identification based transfer function models, in response to elevator and throttle inputs, were estimated using least square error   technique. The identification results show a high confidence level and goodness of fit between the estimated model and actual aircraft response.

Keywords: Black box modeling, fixed wing aircraft, least square error, longitudinal dynamics, system identification.

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1165 Finite Element and Subspace Identification Approaches to Model Development of a Smart Acoustic Box with Experimental Verification

Authors: Tamara Nestorović, Jean Lefèvre, Stefan Ringwelski, Ulrich Gabbert

Abstract:

Two approaches for model development of a smart acoustic box are suggested in this paper: the finite element (FE) approach and the subspace identification. Both approaches result in a state-space model, which can be used for obtaining the frequency responses and for the controller design. In order to validate the developed FE model and to perform the subspace identification, an experimental set-up with the acoustic box and dSPACE system was used. Experimentally obtained frequency responses show good agreement with the frequency responses obtained from the FE model and from the identified model.

Keywords: Acoustic box, experimental verification, finite element model, subspace identification.

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1164 System Identification Based on Stepwise Regression for Dynamic Market Representation

Authors: Alexander Efremov

Abstract:

A system for market identification (SMI) is presented. The resulting representations are multivariable dynamic demand models. The market specifics are analyzed. Appropriate models and identification techniques are chosen. Multivariate static and dynamic models are used to represent the market behavior. The steps of the first stage of SMI, named data preprocessing, are mentioned. Next, the second stage, which is the model estimation, is considered in more details. Stepwise linear regression (SWR) is used to determine the significant cross-effects and the orders of the model polynomials. The estimates of the model parameters are obtained by a numerically stable estimator. Real market data is used to analyze SMI performance. The main conclusion is related to the applicability of multivariate dynamic models for representation of market systems.

Keywords: market identification, dynamic models, stepwise regression.

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1163 New Approach for Constructing a Secure Biometric Database

Authors: A. Kebbeb, M. Mostefai, F. Benmerzoug, Y. Chahir

Abstract:

The multimodal biometric identification is the combination of several biometric systems; the challenge of this combination is to reduce some limitations of systems based on a single modality while significantly improving performance. In this paper, we propose a new approach to the construction and the protection of a multimodal biometric database dedicated to an identification system. We use a topological watermarking to hide the relation between face image and the registered descriptors extracted from other modalities of the same person for more secure user identification.

Keywords: Biometric databases, Multimodal biometrics, security authentication, Digital watermarking.

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1162 Urban and Rural Children’s Knowledge on Biodiversity in Bizkaia: Tree Identification Skills and Animal and Plant Listing

Authors: Joserra Díez, Ainhoa Meñika, Iñaki Sanz-Azkue, Arritokieta Ortuzar

Abstract:

Biodiversity provides humans with a great range of ecosystemic services; it is therefore an indispensable resource and a legacy to coming generations. However, in the last decades, the increasing exploitation of the Planet has caused a great loss of biodiversity and its acquaintance has decreased remarkably; especially in urbanized areas, due to the decreasing attachment of humans to nature. Yet, the Primary Education curriculum primes the identification of flora and fauna to guarantee the knowledge of children on their surroundings, so that they care for the environment as well as for themselves. In order to produce effective didactic material that meets the needs of both teachers and pupils, it is fundamental to diagnose the current situation. In the present work, the knowledge on biodiversity of 3rd cycle Primary Education students in Biscay (n=98) and its relation to the size of the town/city of their school is discussed. Two tests have been used with such aim: one for tree identification and the other one so that the students enumerated the species of trees and animals they knew. Results reveal that knowledge of students on tree identification is scarce regardless the size of the city/town and of their school. On the other hand, animal species are better known than tree species.

Keywords: Biodiversity, population, tree identification, animal identification.

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1161 Kalman Filter Design in Structural Identification with Unknown Excitation

Authors: Z. Masoumi, B. Moaveni

Abstract:

This article is about first step of structural health monitoring by identifying structural system in the presence of unknown input. In the structural system identification, identification of structural parameters such as stiffness and damping are considered. In this study, the Kalman filter (KF) design for structural systems with unknown excitation is expressed. External excitations, such as earthquakes, wind or any other forces are not measured or not available. The purpose of this filter is its strengths to estimate the state variables of the system in the presence of unknown input. Also least squares estimation (LSE) method with unknown input is studied. Estimates of parameters have been adopted. Finally, using two examples advantages and drawbacks of both methods are studied.

Keywords: Structural health monitoring, Kalman filter, Least square estimation, structural system identification.

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1160 Size-Reduction Strategies for Iris Codes

Authors: Jutta Hämmerle-Uhl, Georg Penn, Gerhard Pötzelsberger, Andreas Uhl

Abstract:

Iris codes contain bits with different entropy. This work investigates different strategies to reduce the size of iris code templates with the aim of reducing storage requirements and computational demand in the matching process. Besides simple subsampling schemes, also a binary multi-resolution representation as used in the JBIG hierarchical coding mode is assessed. We find that iris code template size can be reduced significantly while maintaining recognition accuracy. Besides, we propose a two-stage identification approach, using small-sized iris code templates in a pre-selection stage, and full resolution templates for final identification, which shows promising recognition behaviour.

Keywords: Iris recognition, compact iris code, fast matching, best bits, pre-selection identification, two-stage identification.

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1159 Conflicts Identification among Non-functional Requirements using Matrix Maps

Authors: Abdul H, Jamil A, Imran U

Abstract:

Conflicts identification among non-functional requirements is often identified intuitively which impairs conflict analysis practices. This paper proposes a new model to identify conflicts among non-functional requirements. The proposed model uses the matrix mechanism to identify the quality based conflicts among non-functional requirements. The potential conflicts are identified through the mapping of low level conflicting quality attributes to low level functionalities using the matrices. The proposed model achieves the identification of conflicts among product and process requirements, identifies false conflicts, decreases the documentation overhead, and maintains transparency of identified conflicts. The attributes are not concomitantly taken into account by current models in practice.

Keywords: Conflict Identification, Matrix Maps, Non-functional Requirements, Requirements Analysis, Software Engineering

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1158 Identifying Network Subgraph-Associated Essential Genes in Molecular Networks

Authors: Efendi Zaenudin, Chien-Hung Huang, Ka-Lok Ng

Abstract:

Essential genes play an important role in the survival of an organism. It has been shown that cancer-associated essential genes are genes necessary for cancer cell proliferation, where these genes are potential therapeutic targets. Also, it was demonstrated that mutations of the cancer-associated essential genes give rise to the resistance of immunotherapy for patients with tumors. In the present study, we focus on studying the biological effects of the essential genes from a network perspective. We hypothesize that one can analyze a biological molecular network by decomposing it into both three-node and four-node digraphs (subgraphs). These network subgraphs encode the regulatory interaction information among the network’s genetic elements. In this study, the frequency of occurrence of the subgraph-associated essential genes in a molecular network was quantified by using the statistical parameter, odds ratio. Biological effects of subgraph-associated essential genes are discussed. In summary, the subgraph approach provides a systematic method for analyzing molecular networks and it can capture useful biological information for biomedical research.

Keywords: Biological molecular networks, essential genes, graph theory, network subgraphs.

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1157 Genetic Combined with a Simplex Algorithm as an Efficient Method for the Detection of a Depressed Ellipsoidal Flaw using the Boundary Element Method

Authors: Clio G. Vossou, Ioannis N. Koukoulis, Christopher G. Provatidis

Abstract:

The present work encounters the solution of the defect identification problem with the use of an evolutionary algorithm combined with a simplex method. In more details, a Matlab implementation of Genetic Algorithms is combined with a Simplex method in order to lead to the successful identification of the defect. The influence of the location and the orientation of the depressed ellipsoidal flaw was investigated as well as the use of different amount of static data in the cost function. The results were evaluated according to the ability of the simplex method to locate the global optimum in each test case. In this way, a clear impression regarding the performance of the novel combination of the optimization algorithms, and the influence of the geometrical parameters of the flaw in defect identification problems was obtained.

Keywords: Defect identification, genetic algorithms, optimization.

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1156 Applications of Cascade Correlation Neural Networks for Cipher System Identification

Authors: B. Chandra, P. Paul Varghese

Abstract:

Crypto System Identification is one of the challenging tasks in Crypt analysis. The paper discusses the possibility of employing Neural Networks for identification of Cipher Systems from cipher texts. Cascade Correlation Neural Network and Back Propagation Network have been employed for identification of Cipher Systems. Very large collection of cipher texts were generated using a Block Cipher (Enhanced RC6) and a Stream Cipher (SEAL). Promising results were obtained in terms of accuracy using both the Neural Network models but it was observed that the Cascade Correlation Neural Network Model performed better compared to Back Propagation Network.

Keywords: Back Propagation Neural Networks, CascadeCorrelation Neural Network, Crypto systems, Block Cipher, StreamCipher.

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1155 Characterization of the O.ul-mS952 Intron:A Potential Molecular Marker to Distinguish Between Ophiostoma Ulmi and Ophiostoma Novo-Ulmi Subsp. Americana

Authors: Mohamed Hafez, Georg Hausner

Abstract:

The full length mitochondrial small subunit ribosomal (mt-rns) gene has been characterized for Ophiostoma novo-ulmi subspecies americana. The gene was also characterized for Ophiostoma ulmi and a group II intron was noted in the mt-rns gene of O. ulmi. The insertion in the mt-rns gene is at position S952 and it is a group IIB1 intron that encodes a double motif LAGLIDADG homing endonuclease from an open reading frame located within a loop of domain III. Secondary structure models for the mt-rns RNA of O. novo-ulmi subsp. americana and O. ulmi were generated to place the intron within the context of the ribosomal RNA. The in vivo splicing of the O.ul-mS952 group II intron was confirmed with reverse transcription-PCR. A survey of 182 strains of Dutch Elm Diseases causing agents showed that the mS952 intron was absent in what is considered to be the more aggressive species O. novo-ulmi but present in strains of the less aggressive O. ulmi. This observation suggests that the O.ul-mS952 intron can be used as a PCR-based molecular marker to discriminate between O. ulmi and O. novo-ulmi subsp. americana.

Keywords: Dutch Elm Disease, group II introns, mtDNA, species identification

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1154 Improved Weighted Matching for Speaker Recognition

Authors: Ozan Mut, Mehmet Göktürk

Abstract:

Matching algorithms have significant importance in speaker recognition. Feature vectors of the unknown utterance are compared to feature vectors of the modeled speakers as a last step in speaker recognition. A similarity score is found for every model in the speaker database. Depending on the type of speaker recognition, these scores are used to determine the author of unknown speech samples. For speaker verification, similarity score is tested against a predefined threshold and either acceptance or rejection result is obtained. In the case of speaker identification, the result depends on whether the identification is open set or closed set. In closed set identification, the model that yields the best similarity score is accepted. In open set identification, the best score is tested against a threshold, so there is one more possible output satisfying the condition that the speaker is not one of the registered speakers in existing database. This paper focuses on closed set speaker identification using a modified version of a well known matching algorithm. The results of new matching algorithm indicated better performance on YOHO international speaker recognition database.

Keywords: Automatic Speaker Recognition, Voice Recognition, Pattern Recognition, Digital Audio Signal Processing.

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1153 A Transform Domain Function Controlled VSSLMS Algorithm for Sparse System Identification

Authors: Cemil Turan, Mohammad Shukri Salman

Abstract:

The convergence rate of the least-mean-square (LMS) algorithm deteriorates if the input signal to the filter is correlated. In a system identification problem, this convergence rate can be improved if the signal is white and/or if the system is sparse. We recently proposed a sparse transform domain LMS-type algorithm that uses a variable step-size for a sparse system identification. The proposed algorithm provided high performance even if the input signal is highly correlated. In this work, we investigate the performance of the proposed TD-LMS algorithm for a large number of filter tap which is also a critical issue for standard LMS algorithm. Additionally, the optimum value of the most important parameter is calculated for all experiments. Moreover, the convergence analysis of the proposed algorithm is provided. The performance of the proposed algorithm has been compared to different algorithms in a sparse system identification setting of different sparsity levels and different number of filter taps. Simulations have shown that the proposed algorithm has prominent performance compared to the other algorithms.

Keywords: Adaptive filtering, sparse system identification, VSSLMS algorithm, TD-LMS algorithm.

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1152 The Study on Mechanical Properties of Graphene Using Molecular Mechanics

Authors: I-Ling Chang, Jer-An Chen

Abstract:

The elastic properties and fracture of two-dimensional graphene were calculated purely from the atomic bonding (stretching and bending) based on molecular mechanics method. Considering the representative unit cell of graphene under various loading conditions, the deformations of carbon bonds and the variations of the interlayer distance could be realized numerically under the geometry constraints and minimum energy assumption. In elastic region, it was found that graphene was in-plane isotropic. Meanwhile, the in-plane deformation of the representative unit cell is not uniform along armchair direction due to the discrete and non-uniform distributions of the atoms. The fracture of graphene could be predicted using fracture criteria based on the critical bond length, over which the bond would break. It was noticed that the fracture behavior were directional dependent, which was consistent with molecular dynamics simulation results.

Keywords: Energy minimization, fracture, graphene, molecular mechanics.

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1151 A Hybrid GMM/SVM System for Text Independent Speaker Identification

Authors: Rafik Djemili, Mouldi Bedda, Hocine Bourouba

Abstract:

This paper proposes a novel approach that combines statistical models and support vector machines. A hybrid scheme which appropriately incorporates the advantages of both the generative and discriminant model paradigms is described and evaluated. Support vector machines (SVMs) are trained to divide the whole speakers' space into small subsets of speakers within a hierarchical tree structure. During testing a speech token is assigned to its corresponding group and evaluation using gaussian mixture models (GMMs) is then processed. Experimental results show that the proposed method can significantly improve the performance of text independent speaker identification task. We report improvements of up to 50% reduction in identification error rate compared to the baseline statistical model.

Keywords: Speaker identification, Gaussian mixture model (GMM), support vector machine (SVM), hybrid GMM/SVM.

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1150 Spatial-Temporal Awareness Approach for Extensive Re-Identification

Authors: Tyng-Rong Roan, Fuji Foo, Wenwey Hseush

Abstract:

Recent development of AI and edge computing plays a critical role to capture meaningful events such as detection of an unattended bag. One of the core problems is re-identification across multiple CCTVs. Immediately following the detection of a meaningful event is to track and trace the objects related to the event. In an extensive environment, the challenge becomes severe when the number of CCTVs increases substantially, imposing difficulties in achieving high accuracy while maintaining real-time performance. The algorithm that re-identifies cross-boundary objects for extensive tracking is referred to Extensive Re-Identification, which emphasizes the issues related to the complexity behind a great number of CCTVs. The Spatial-Temporal Awareness approach challenges the conventional thinking and concept of operations which is labor intensive and time consuming. The ability to perform Extensive Re-Identification through a multi-sensory network provides the next-level insights – creating value beyond traditional risk management.

Keywords: Long-short-term memory, re-identification, security critical application, spatial-temporal awareness.

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1149 Design of the Production Line Based On RFID through 3D Modeling

Authors: Aliakbar Akbari, Majid Hashemipour, Shiva Mirshahi

Abstract:

Radio-frequency identification has entered as a beneficial means with conforming GS1 standards to provide the best solutions in the manufacturing area. It competes with other automated identification technologies e.g. barcodes and smart cards with regard to high speed scanning, reliability and accuracy as well. The purpose of this study is to improve production line-s performance by implementing RFID system in the manufacturing area on the basis of radio-frequency identification (RFID) system by 3D modeling in the program Cinema 4D R13 which provides obvious graphical scenes for users to portray their applications. Finally, with regard to improving system performance, it shows how RFID appears as a well-suited technology in a comparison of the barcode scanner to handle different kinds of raw materials in the production line base on logical process.

Keywords: Radio Frequency Identification, Manufacturing and Production Lines, 3D modeling

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1148 System Identification with General Dynamic Neural Networks and Network Pruning

Authors: Christian Endisch, Christoph Hackl, Dierk Schröder

Abstract:

This paper presents an exact pruning algorithm with adaptive pruning interval for general dynamic neural networks (GDNN). GDNNs are artificial neural networks with internal dynamics. All layers have feedback connections with time delays to the same and to all other layers. The structure of the plant is unknown, so the identification process is started with a larger network architecture than necessary. During parameter optimization with the Levenberg- Marquardt (LM) algorithm irrelevant weights of the dynamic neural network are deleted in order to find a model for the plant as simple as possible. The weights to be pruned are found by direct evaluation of the training data within a sliding time window. The influence of pruning on the identification system depends on the network architecture at pruning time and the selected weight to be deleted. As the architecture of the model is changed drastically during the identification and pruning process, it is suggested to adapt the pruning interval online. Two system identification examples show the architecture selection ability of the proposed pruning approach.

Keywords: System identification, dynamic neural network, recurrentneural network, GDNN, optimization, Levenberg Marquardt, realtime recurrent learning, network pruning, quasi-online learning.

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1147 Specific Emitter Identification Based on Refined Composite Multiscale Dispersion Entropy

Authors: Shaoying Guo, Yanyun Xu, Meng Zhang, Weiqing Huang

Abstract:

The wireless communication network is developing rapidly, thus the wireless security becomes more and more important. Specific emitter identification (SEI) is an vital part of wireless communication security as a technique to identify the unique transmitters. In this paper, a SEI method based on multiscale dispersion entropy (MDE) and refined composite multiscale dispersion entropy (RCMDE) is proposed. The algorithms of MDE and RCMDE are used to extract features for identification of five wireless devices and cross-validation support vector machine (CV-SVM) is used as the classifier. The experimental results show that the total identification accuracy is 99.3%, even at low signal-to-noise ratio(SNR) of 5dB, which proves that MDE and RCMDE can describe the communication signal series well. In addition, compared with other methods, the proposed method is effective and provides better accuracy and stability for SEI.

Keywords: Cross-validation support vector machine, refined composite multiscale dispersion entropy, specific emitter identification, transient signal, wireless communication device.

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1146 Outlier Pulse Detection and Feature Extraction for Wrist Pulse Analysis

Authors: Bhaskar Thakker, Anoop Lal Vyas

Abstract:

Wrist pulse analysis for identification of health status is found in Ancient Indian as well as Chinese literature. The preprocessing of wrist pulse is necessary to remove outlier pulses and fluctuations prior to the analysis of pulse pressure signal. This paper discusses the identification of irregular pulses present in the pulse series and intricacies associated with the extraction of time domain pulse features. An approach of Dynamic Time Warping (DTW) has been utilized for the identification of outlier pulses in the wrist pulse series. The ambiguity present in the identification of pulse features is resolved with the help of first derivative of Ensemble Average of wrist pulse series. An algorithm for detecting tidal and dicrotic notch in individual wrist pulse segment is proposed.

Keywords: Wrist Pulse Segment, Ensemble Average, Dynamic Time Warping (DTW), Pulse Similarity Vector.

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1145 The Extension of Monomeric Computational Results to Polymeric Measurable Properties: An Introductory Computational Chemistry Experiment

Authors: Zhao Jing, Bai Yongqing, Shi Qiaofang, Zang Yang, Zhang Huaihao

Abstract:

Advances in software technology enable the computational chemistry to be commonly applied in various research fields, especially in pedagogy. Thus, in order to expand and improve experimental instructions of computational chemistry for undergraduates, we designed an introductory experiment—research on acrylamide molecular structure and physicochemical properties. Initially, students construct molecular models of acrylamide and polyacrylamide in Gaussian and Materials Studio software respectively. Then, the infrared spectral data, atomic charge and molecular orbitals of acrylamide as well as solvation effect of polyacrylamide are calculated to predict their physicochemical performance. At last, rheological experiments are used to validate these predictions. Through the combination of molecular simulation (performed on Gaussian, Materials Studio) with experimental verification (rheology experiment), learners have deeply comprehended the chemical nature of acrylamide and polyacrylamide, achieving good learning outcomes.

Keywords: Upper-division undergraduate, computer-based learning, laboratory instruction, amides, molecular modeling, spectroscopy.

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1144 Gaussian Process Model Identification Using Artificial Bee Colony Algorithm and Its Application to Modeling of Power Systems

Authors: Tomohiro Hachino, Hitoshi Takata, Shigeru Nakayama, Ichiro Iimura, Seiji Fukushima, Yasutaka Igarashi

Abstract:

This paper presents a nonparametric identification of continuous-time nonlinear systems by using a Gaussian process (GP) model. The GP prior model is trained by artificial bee colony algorithm. The nonlinear function of the objective system is estimated as the predictive mean function of the GP, and the confidence measure of the estimated nonlinear function is given by the predictive covariance of the GP. The proposed identification method is applied to modeling of a simplified electric power system. Simulation results are shown to demonstrate the effectiveness of the proposed method.

Keywords: Artificial bee colony algorithm, Gaussian process model, identification, nonlinear system, electric power system.

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1143 The Effect of Measurement Distribution on System Identification and Detection of Behavior of Nonlinearities of Data

Authors: Mohammad Javad Mollakazemi, Farhad Asadi, Aref Ghafouri

Abstract:

In this paper, we considered and applied parametric modeling for some experimental data of dynamical system. In this study, we investigated the different distribution of output measurement from some dynamical systems. Also, with variance processing in experimental data we obtained the region of nonlinearity in experimental data and then identification of output section is applied in different situation and data distribution. Finally, the effect of the spanning the measurement such as variance to identification and limitation of this approach is explained.

Keywords: Gaussian process, Nonlinearity distribution, Particle filter.

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1142 Using Molecular Dynamics to Assess Mechanical Properties of PAN-Based Carbon Fibers Comprising Imperfect Crystals with Amorphous Structures

Authors: A. Ito, S. Okamoto

Abstract:

We constructed an atomic structure model for a PAN-based carbon fiber containing amorphous structures using molecular dynamics methods. It was found that basic physical properties such as crystallinity, Young’s modulus, and thermal conductivity of our model were nearly identical to those of real carbon fibers. We then obtained the tensile strength of a carbon fiber, which has no macro defects. We finally determined that the limitation of the tensile strength was 19 GPa.

Keywords: Amorphous, carbon fiber, molecular dynamics, tensile strength.

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