Search results for: quantum kernel

Authors: Vladimir Rastunkov, Jae-Eun Park, Abhijit Mitra, Brian Quanz, Steve Wood, Christopher Codella, Heather Higgins, Joseph Broz

Abstract:

Quantum Support Vector Machines (QSVM) have become an important tool in research and applications of quantum kernel methods. In this work we propose a boosting approach for building ensembles of QSVM models and assess performance improvement across multiple datasets. This approach is derived from the best ensemble building practices that worked well in traditional machine learning and thus should push the limits of quantum model performance even further. We find that in some cases, a single QSVM model with tuned hyperparameters is sufficient to simulate the data, while in others - an ensemble of QSVMs that are forced to do exploration of the feature space via proposed method is beneficial.

Keywords: QSVM, Quantum Support Vector Machines, quantum kernel, boosting, ensemble.

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Authors: Wei Zhang, Su-Yan Tang, Yi-Fan Zhu, Wei-Ping Wang

Abstract:

Support vector regression (SVR) has been regarded as a state-of-the-art method for approximation and regression. The importance of kernel function, which is so-called admissible support vector kernel (SV kernel) in SVR, has motivated many studies on its composition. The Gaussian kernel (RBF) is regarded as a “best" choice of SV kernel used by non-expert in SVR, whereas there is no evidence, except for its superior performance on some practical applications, to prove the statement. Its well-known that reproducing kernel (R.K) is also a SV kernel which possesses many important properties, e.g. positive definiteness, reproducing property and composing complex R.K by simpler ones. However, there are a limited number of R.Ks with explicit forms and consequently few quantitative comparison studies in practice. In this paper, two R.Ks, i.e. SV kernels, composed by the sum and product of a translation invariant kernel in a Sobolev space are proposed. An exploratory study on the performance of SVR based general R.K is presented through a systematic comparison to that of RBF using multiple criteria and synthetic problems. The results show that the R.K is an equivalent or even better SV kernel than RBF for the problems with more input variables (more than 5, especially more than 10) and higher nonlinearity.

Keywords: admissible support vector kernel, reproducing kernel, reproducing kernel Hilbert space, support vector regression.

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Authors: Rasmus Engholm, Eva B. Vedel Jensen, Henrik Karstoft

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In this paper we present a noise reduction filter for video processing. It is based on the recently proposed two dimensional steering kernel, extended to three dimensions and further augmented to suit the spatial-temporal domain of video processing. Two alternative filters are proposed - the time symmetric kernel and the time asymmetric kernel. The first reduces the noise on single sequences, but to handle the problems at scene shift the asymmetric kernel is introduced. The performance of both are tested on simulated data and on a real video sequence together with the existing steering kernel. The proposed kernels improves the Rooted Mean Squared Error (RMSE) compared to the original steering kernel method on video material.

Keywords: Adaptive image filtering, noise reduction, kernel methods, video processing.

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Authors: Kei Kawamorita, Ryouta Kasahara, Yuuki Mochizuki, Kenichiro Noguchi

Abstract:

A separation-kernel-based operating system (OS) has been designed for use in secure embedded systems by applying formal methods to the design of the separation-kernel part. The separation kernel is a small OS kernel that provides an abstract distributed environment on a single CPU. The design of the separation kernel was verified using two formal methods, the B method and the Spin model checker. A newly designed semi-formal method, the extended state transition method, was also applied. An OS comprising the separation-kernel part and additional OS services on top of the separation kernel was prototyped on the Intel IA-32 architecture. Developing and testing of a prototype embedded application, a point-of-sale application, on the prototype OS demonstrated that the proposed architecture and the use of formal methods to design its kernel part are effective for achieving a secure embedded system having a high-assurance separation kernel.

Keywords: B method, embedded systems, extended state transition, formal methods, separation kernel, Spin.

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Authors: Hamza Nejib, Okba Taouali

Abstract:

This paper presents two of the most knowing kernel adaptive filtering (KAF) approaches, the kernel least mean squares and the kernel recursive least squares, in order to predict a new output of nonlinear signal processing. Both of these methods implement a nonlinear transfer function using kernel methods in a particular space named reproducing kernel Hilbert space (RKHS) where the model is a linear combination of kernel functions applied to transform the observed data from the input space to a high dimensional feature space of vectors, this idea known as the kernel trick. Then KAF is the developing filters in RKHS. We use two nonlinear signal processing problems, Mackey Glass chaotic time series prediction and nonlinear channel equalization to figure the performance of the approaches presented and finally to result which of them is the adapted one.

Keywords: KLMS, online prediction, KAF, signal processing, RKHS, Kernel methods, KRLS, KLMS.

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Authors: Wei Zhang, Xin Zhao, Yi-Fan Zhu, Xin-Jian Zhang

Abstract:

Kernel function, which allows the formulation of nonlinear variants of any algorithm that can be cast in terms of dot products, makes the Support Vector Machines (SVM) have been successfully applied in many fields, e.g. classification and regression. The importance of kernel has motivated many studies on its composition. It-s well-known that reproducing kernel (R.K) is a useful kernel function which possesses many properties, e.g. positive definiteness, reproducing property and composing complex R.K by simple operation. There are two popular ways to compute the R.K with explicit form. One is to construct and solve a specific differential equation with boundary value whose handicap is incapable of obtaining a unified form of R.K. The other is using a piecewise integral of the Green function associated with a differential operator L. The latter benefits the computation of a R.K with a unified explicit form and theoretical analysis, whereas there are relatively later studies and fewer practical computations. In this paper, a new algorithm for computing a R.K is presented. It can obtain the unified explicit form of R.K in general reproducing kernel Hilbert space. It avoids constructing and solving the complex differential equations manually and benefits an automatic, flexible and rigorous computation for more general RKHS. In order to validate that the R.K computed by the algorithm can be used in SVM well, some illustrative examples and a comparison between R.K and Gaussian kernel (RBF) in support vector regression are presented. The result shows that the performance of R.K is close or slightly superior to that of RBF.

Keywords: admissible support vector kernel, reproducing kernel, reproducing kernel Hilbert space, Green function, support vectorregression

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Authors: Hany Alashwal, Safaai Deris, Razib M. Othman

Abstract:

Understanding proteins functions is a major goal in the post-genomic era. Proteins usually work in context of other proteins and rarely function alone. Therefore, it is highly relevant to study the interaction partners of a protein in order to understand its function. Machine learning techniques have been widely applied to predict protein-protein interactions. Kernel functions play an important role for a successful machine learning technique. Choosing the appropriate kernel function can lead to a better accuracy in a binary classifier such as the support vector machines. In this paper, we describe a Bayesian kernel for the support vector machine to predict protein-protein interactions. The use of Bayesian kernel can improve the classifier performance by incorporating the probability characteristic of the available experimental protein-protein interactions data that were compiled from different sources. In addition, the probabilistic output from the Bayesian kernel can assist biologists to conduct more research on the highly predicted interactions. The results show that the accuracy of the classifier has been improved using the Bayesian kernel compared to the standard SVM kernels. These results imply that protein-protein interaction can be predicted using Bayesian kernel with better accuracy compared to the standard SVM kernels.

Keywords: Bioinformatics, Protein-protein interactions, Bayesian Kernel, Support Vector Machines.

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Authors: Sara Felloni, Giuliano Strini

Abstract:

We explore entanglement in composite quantum systems and how its peculiar properties are exploited in quantum information and communication protocols by means of Diagrams of States, a novel method to graphically represent and analyze how quantum information is elaborated during computations performed by quantum circuits. We present quantum diagrams of states for Bell states generation, measurements and projections, for dense coding and quantum teleportation, for probabilistic quantum machines designed to perform approximate quantum cloning and universal NOT and, finally, for quantum privacy amplification based on entanglement purification. Diagrams of states prove to be a useful approach to analyze quantum computations, by offering an intuitive graphic representation of the processing of quantum information. They also help in conceiving novel quantum computations, from describing the desired information processing to deriving the final implementation by quantum gate arrays.

Keywords: Diagrams of states, entanglement, quantum circuits, quantum information.

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Authors: Dursun Aydin

Abstract:

This paper study about using of nonparametric models for Gross National Product data in Turkey and Stanford heart transplant data. It is discussed two nonparametric techniques called smoothing spline and kernel regression. The main goal is to compare the techniques used for prediction of the nonparametric regression models. According to the results of numerical studies, it is concluded that smoothing spline regression estimators are better than those of the kernel regression.

Keywords: Kernel regression, Nonparametric models, Prediction, Smoothing spline.

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Authors: Elena Kotevska

Abstract:

This paper presents a generalization kernel for gravitational potential determination by harmonic splines. It was shown in [10] that the gravitational potential can be approximated using a kernel represented as a Newton integral over the real Earth body. On the other side, the theory of geopotential approximation by harmonic splines uses spherically oriented kernels. The purpose of this paper is to show that in the spherical case both kernels have the same type of representation, which leads us to conclusion that it is possible to consider the kernel represented as a Newton integral over the real Earth body as a kind of generalization of spherically harmonic kernels to real geometries.

Keywords: Geopotential, Reproducing Kernel, Approximation, Regular Surface

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Authors: Mohamed EL Boujnouni, Mohamed Jedra, Noureddine Zahid

Abstract:

Support Vector Domain Description (SVDD) is one of the best-known one-class support vector learning methods, in which one tries the strategy of using balls defined on the feature space in order to distinguish a set of normal data from all other possible abnormal objects. As all kernel-based learning algorithms its performance depends heavily on the proper choice of the kernel parameter. This paper proposes a new approach to select kernel's parameter based on maximizing the distance between both gravity centers of normal and abnormal classes, and at the same time minimizing the variance within each class. The performance of the proposed algorithm is evaluated on several benchmarks. The experimental results demonstrate the feasibility and the effectiveness of the presented method.

Keywords: Gravity centers, Kernel’s parameter, Support Vector Domain Description, Variance.

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Authors: Philippe Jorrand

Abstract:

Research in quantum computation is looking for the consequences of having information encoding, processing and communication exploit the laws of quantum physics, i.e. the laws which govern the ultimate knowledge that we have, today, of the foreign world of elementary particles, as described by quantum mechanics. This paper starts with a short survey of the principles which underlie quantum computing, and of some of the major breakthroughs brought by the first ten to fifteen years of research in this domain; quantum algorithms and quantum teleportation are very biefly presented. The next sections are devoted to one among the many directions of current research in the quantum computation paradigm, namely quantum programming languages and their semantics. A few other hot topics and open problems in quantum information processing and communication are mentionned in few words in the concluding remarks, the most difficult of them being the physical implementation of a quantum computer. The interested reader will find a list of useful references at the end of the paper.

Keywords: Quantum information processing, quantum algorithms, quantum programming languages.

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Authors: Sepehr Damavandinejadmonfared, Ali Khalili Mobarakeh, Mohsen Pashna, , Jiangping Gou Sayedmehran Mirsafaie Rizi, Saba Nazari, Shadi Mahmoodi Khaniabadi, Mohamad Ali Bagheri

Abstract:

In this paper a novel algorithm is proposed to merit the accuracy of finger vein recognition. The performances of Principal Component Analysis (PCA), Kernel Principal Component Analysis (KPCA), and Kernel Entropy Component Analysis (KECA) in this algorithm are validated and compared with each other in order to determine which one is the most appropriate one in terms of finger vein recognition.

Keywords: Biometrics, finger vein recognition, PrincipalComponent Analysis (PCA), Kernel Principal Component Analysis(KPCA), Kernel Entropy Component Analysis (KPCA).

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Authors: Essam Al Daoud

Abstract:

To improve the classification rate of the face recognition, features combination and a novel non-linear kernel are proposed. The feature vector concatenates three different radius of local binary patterns and Gabor wavelet features. Gabor features are the mean, standard deviation and the skew of each scaling and orientation parameter. The aim of the new kernel is to incorporate the power of the kernel methods with the optimal balance between the features. To verify the effectiveness of the proposed method, numerous methods are tested by using four datasets, which are consisting of various emotions, orientations, configuration, expressions and lighting conditions. Empirical results show the superiority of the proposed technique when compared to other methods.

Keywords: Face recognition, Gabor wavelet, LBP, Non-linearkerner

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Authors: Habibeh Nalbandi, Sadegh Seiiedlou, Hamid R. Ghasemzadeh, Naser Hamdami

Abstract:

The purpose of present work was to study the drying kinetics of whole acorn and its kernel at different drying air temperatures and their effective moisture diffusivity. The results indicated that the drying time of whole acorn was 442, 206 and 188 min at the air temperature of 65, 75 and 85ºC, respectively. At the same temperatures, the drying time of kernel was 131, 56 and 76min. The results showed that the effect of drying air temperature increasing on the drying time reduction could not be significant on acorn drying at all conditions. The effective moisture diffusivity of whole acorn and kernel increased with increasing air temperature from 65 to 75ºC. However more air temperature increasing, led to decreasing this property of acorn kernel. The critical temperature of acorn drying was about 75°C in which acorn kernel had the highest effective moisture diffusivity.

Keywords: Critical temperature, Drying kinetics, Moisture diffusivity, Oak acorn.

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Authors: Nabil M. Abdel-Jabbar, Essam A.H. Al Zubaidy, Mehrab Mehrvar

Abstract:

Waste lubricating oil re-refining adsorption process by different adsorbent materials was investigated. Adsorbent materials such as oil adsorbent, egg shale powder, date palm kernel powder, and acid activated date palm kernel powder were used. The adsorption process over fixed amount of adsorbent at ambient conditions was investigated. The adsorption/extraction process was able to deposit the asphaltenic and metallic contaminants from the waste oil to lower values. It was found that the date palm kernel powder with contact time of 4 h was able to give the best conditions for treating the waste oil. The recovered solvent could be also reused. It was also found that the activated bentonite gave the best physical properties followed by the date palm kernel powder.

Keywords: activated bentonite, egg shale powder, datepalm kernel powder, used oil treatment, used oilcharacteristics.

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Authors: Mingtao Ding, Zheng Tian, Haixia Xu

Abstract:

The batch nature limits the standard kernel principal component analysis (KPCA) methods in numerous applications, especially for dynamic or large-scale data. In this paper, an efficient adaptive approach is presented for online extraction of the kernel principal components (KPC). The contribution of this paper may be divided into two parts. First, kernel covariance matrix is correctly updated to adapt to the changing characteristics of data. Second, KPC are recursively formulated to overcome the batch nature of standard KPCA.This formulation is derived from the recursive eigen-decomposition of kernel covariance matrix and indicates the KPC variation caused by the new data. The proposed method not only alleviates sub-optimality of the KPCA method for non-stationary data, but also maintains constant update speed and memory usage as the data-size increases. Experiments for simulation data and real applications demonstrate that our approach yields improvements in terms of both computational speed and approximation accuracy.

Keywords: adaptive method, kernel principal component analysis, online extraction, recursive algorithm

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Authors: Yi Zhang, Kai Lu, Ying-hui Gao, Mo Wang

Abstract:

Histogram plays an important statistical role in digital image processing. However, the existing quantum image models are deficient to do this kind of image statistical processing because different gray scales are not distinguishable. In this paper, a novel quantum image representation model is proposed firstly in which the pixels with different gray scales can be distinguished and operated simultaneously. Based on the new model, a fast quantum algorithm of constructing histogram for quantum image is designed. Performance comparison reveals that the new quantum algorithm could achieve an approximately quadratic speedup than the classical counterpart. The proposed quantum model and algorithm have significant meanings for the future researches of quantum image processing.

Keywords: Quantum Image Representation, Quantum Algorithm, Image Histogram.

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Authors: Essam Al-Daoud

Abstract:

A potentially serious problem with current payment systems is that their underlying hard problems from number theory may be solved by either a quantum computer or unanticipated future advances in algorithms and hardware. A new quantum payment system is proposed in this paper. The suggested system makes use of fundamental principles of quantum mechanics to ensure the unconditional security without prior arrangements between customers and vendors. More specifically, the new system uses Greenberger-Home-Zeilinger (GHZ) states and Quantum Key Distribution to authenticate the vendors and guarantee the transaction integrity.

Keywords: Bell state, GHZ state, Quantum key distribution, Quantum payment system.

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Authors: D.N. Zheng, J.X. Wang, Y.N. Zhao, Z.H. Yang

Abstract:

The Linear discriminant analysis (LDA) can be generalized into a nonlinear form - kernel LDA (KLDA) expediently by using the kernel functions. But KLDA is often referred to a general eigenvalue problem in singular case. To avoid this complication, this paper proposes an iterative algorithm for the two-class KLDA. The proposed KLDA is used as a nonlinear discriminant classifier, and the experiments show that it has a comparable performance with SVM.

Keywords: Linear discriminant analysis (LDA), kernel LDA (KLDA), conjugate gradient algorithm, nonlinear discriminant classifier.

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Authors: A. Abdikian

Abstract:

A quantum breathing mode has been theatrically studied in quantum dusty plasma. By using linear quantum hydrodynamic model, not only the quantum dispersion relation of rotation mode but also void structure has been derived in the presence of an external magnetic field. Although the phase velocity of the magnetized quantum breathing mode is greater than that of unmagnetized quantum breathing mode, attenuation of the magnetized quantum breathing mode along radial distance seems to be slower than that of unmagnetized quantum breathing mode. Clearly, drawing the quantum breathing mode in the presence and absence of a magnetic field, we found that the magnetic field alters the distribution of dust particles and changes the radial and azimuthal velocities around the axis. Because the magnetic field rotates the dust particles and collects them, it could compensate the void structure.

Keywords: The linear quantum hydrodynamic model, the magnetized quantum breathing mode, the quantum dispersion relation of rotation mode, void structure.

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Authors: Amir Hajian, Sepehr Damavandinejadmonfared

Abstract:

In this paper the issue of dimensionality reduction is investigated in finger vein recognition systems using kernel Principal Component Analysis (KPCA). One aspect of KPCA is to find the most appropriate kernel function on finger vein recognition as there are several kernel functions which can be used within PCA-based algorithms. In this paper, however, another side of PCA-based algorithms -particularly KPCA- is investigated. The aspect of dimension of feature vector in PCA-based algorithms is of importance especially when it comes to the real-world applications and usage of such algorithms. It means that a fixed dimension of feature vector has to be set to reduce the dimension of the input and output data and extract the features from them. Then a classifier is performed to classify the data and make the final decision. We analyze KPCA (Polynomial, Gaussian, and Laplacian) in details in this paper and investigate the optimal feature extraction dimension in finger vein recognition using KPCA.

Keywords: Biometrics, finger vein recognition, Principal Component Analysis (PCA), Kernel Principal Component Analysis (KPCA).

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Authors: A. Schirru, A. Irimescu, S. Merola, A. d’Adamo, S. Fontanesi

Abstract:

One of the aspects that are usually neglected during the design phase of an engine is the effect of the spark plug on the flow field inside the combustion chamber. Because of the difficulties in the experimental investigation of the mutual interaction between flow alteration and early flame kernel convection effect inside the engine combustion chamber, CFD-3D simulation is usually exploited in such cases. Experimentally speaking, a particular type of engine has to be used in order to directly observe the flame propagation process. In this study, a double electrode spark plug was fitted into an optically accessible engine and a high-speed camera was used to capture the initial stages of the combustion process. Both the arc and the kernel phases were observed. Then, a morphologic analysis was carried out and the position of the center of mass of the flame, relative to the spark plug position, was calculated. The crossflow orientation was chosen for the spark plug and the kernel growth process was observed for different air-fuel ratios. It was observed that during a normal cycle the flow field between the electrodes tends to transport the arc deforming it. Because of that, the kernel growth phase takes place away from the electrodes and the flame propagates with a preferential direction dictated by the flow field.

Keywords: Combustion, Kernel growth, optically accessible engine, spark-ignition engine, spark plug orientation.

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Authors: A. Perolini

Abstract:

Feature and model selection are in the center of attention of many researches because of their impact on classifiers- performance. Both selections are usually performed separately but recent developments suggest using a combined GA-SVM approach to perform them simultaneously. This approach improves the performance of the classifier identifying the best subset of variables and the optimal parameters- values. Although GA-SVM is an effective method it is computationally expensive, thus a rough method can be considered. The paper investigates a joined approach of Genetic Algorithm and kernel matrix criteria to perform simultaneously feature and model selection for SVM classification problem. The purpose of this research is to improve the classification performance of SVM through an efficient approach, the Kernel Matrix Genetic Algorithm method (KMGA).

Keywords: Feature and model selection, Genetic Algorithms, Support Vector Machines, kernel matrix.

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Authors: Mario Mastriani, Marcelo Naiouf

Abstract:

This paper introduces a Quantum Correlation Matrix Memory (QCMM) and Enhanced QCMM (EQCMM), which are useful to work with quantum memories. A version of classical Gram-Schmidt orthogonalisation process in Dirac notation (called Quantum Orthogonalisation Process: QOP) is presented to convert a non-orthonormal quantum basis, i.e., a set of non-orthonormal quantum vectors (called qudits) to an orthonormal quantum basis, i.e., a set of orthonormal quantum qudits. This work shows that it is possible to improve the performance of QCMM thanks QOP algorithm. Besides, the EQCMM algorithm has a lot of additional fields of applications, e.g.: Steganography, as a replacement Hopfield Networks, Bilevel image processing, etc. Finally, it is important to mention that the EQCMM is an extremely easy to implement in any firmware.

Keywords: Quantum Algebra, correlation matrix memory, Dirac notation, orthogonalisation.

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Authors: J. S. Bhullar, Manish Gupta

Abstract:

Classical Bose-Chaudhuri-Hocquenghem (BCH) codes C that contain their dual codes can be used to construct quantum stabilizer codes this chapter studies the properties of such codes. It had been shown that a BCH code of length n which contains its dual code satisfies the bound on weight of any non-zero codeword in C and converse is also true. One impressive difficulty in quantum communication and computation is to protect informationcarrying quantum states against undesired interactions with the environment. To address this difficulty, many good quantum errorcorrecting codes have been derived as binary stabilizer codes. We were able to shed more light on the structure of dual containing BCH codes. These results make it possible to determine the parameters of quantum BCH codes in terms of weight of non-zero dual codeword.

Keywords: Quantum Codes, BCH Codes, Dual BCH Codes, Designed Distance.

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Authors: Chien-Hung Chen, Yan-Chun Hsing, Yung-Chun Chang

Abstract:

The Internet has grown into a powerful medium for information dispersion and social interaction that leads to a rapid growth of social media which allows users to easily post their emotions and perspectives regarding certain topics online. Our research aims at using natural language processing and text mining techniques to explore the public emotions expressed on Twitter by analyzing the sentiment behind tweets. In this paper, we propose a composite kernel method that integrates tree kernel with the linear kernel to simultaneously exploit both the tree representation and the distributed emotion keyword representation to analyze the syntactic and content information in tweets. The experiment results demonstrate that our method can effectively detect public emotion of tweets while outperforming the other compared methods.

Keywords: Public emotion recognition, natural language processing, composite kernel, sentiment analysis, text mining.

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Authors: Sara Sedaghat, Mahmood Barati, Iraj Kazeminezhad

Abstract:

The ionization energy in semiconductor systems in nano scale was investigated by using effective mass approximation. By introducing the Hamiltonian of the system, the variational technique was employed to calculate the ground state and the ionization energy of a donor at the center and in the case that the impurities are randomly distributed inside a cubic quantum well. The numerical results for GaAs/GaAlAs show that the ionization energy strongly depends on the well width for both cases and it decreases as the well width increases. The ionization energy of a quantum wire was also calculated and compared with the results for the well.

Keywords: quantum well, quantum wire, quantum dot, impuritystate

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Authors: R. Fatehi, M.A. Fayazbakhsh, M.T. Manzari

Abstract:

Discretization of spatial derivatives is an important issue in meshfree methods especially when the derivative terms contain non-linear coefficients. In this paper, various methods used for discretization of second-order spatial derivatives are investigated in the context of Smoothed Particle Hydrodynamics. Three popular forms (i.e. "double summation", "second-order kernel derivation", and "difference scheme") are studied using one-dimensional unsteady heat conduction equation. To assess these schemes, transient response to a step function initial condition is considered. Due to parabolic nature of the heat equation, one can expect smooth and monotone solutions. It is shown, however in this paper, that regardless of the type of kernel function used and the size of smoothing radius, the double summation discretization form leads to non-physical oscillations which persist in the solution. Also, results show that when a second-order kernel derivative is used, a high-order kernel function shall be employed in such a way that the distance of inflection point from origin in the kernel function be less than the nearest particle distance. Otherwise, solutions may exhibit oscillations near discontinuities unlike the "difference scheme" which unconditionally produces monotone results.

Keywords: Heat conduction, Meshfree methods, Smoothed ParticleHydrodynamics (SPH), Second-order derivatives.

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Authors: Kozak K, M. Kozak, K. Stapor

Abstract:

The k-nearest neighbors (knn) is a simple but effective method of classification. In this paper we present an extended version of this technique for chemical compounds used in High Throughput Screening, where the distances of the nearest neighbors can be taken into account. Our algorithm uses kernel weight functions as guidance for the process of defining activity in screening data. Proposed kernel weight function aims to combine properties of graphical structure and molecule descriptors of screening compounds. We apply the modified knn method on several experimental data from biological screens. The experimental results confirm the effectiveness of the proposed method.

Keywords: biological screening, kernel methods, KNN, QSAR

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