Coding Considerations for Standalone Molecular Dynamics Simulations of Atomistic Structures

The laws of Newtonian mechanics allow ab-initio molecular dynamics to model and simulate particle trajectories in material science by defining a differentiable potential function. This paper discusses some considerations for the coding of ab-initio programs for simulation on a standalone computer and illustrates the approach by C language codes in the context of embedded metallic atoms in the face-centred cubic structure. The algorithms use velocity-time integration to determine particle parameter evolution for up to several thousands of particles in a thermodynamical ensemble. Such functions are reusable and can be placed in a redistributable header library file. While there are both commercial and free packages available, their heuristic nature prevents dissection. In addition, developing own codes has the obvious advantage of teaching techniques applicable to new problems.

Interactive Garments: Flexible Technologies for Textile Integration

Upon reviewing the literature and the pragmatic work done in the field of E- textiles, it is observed that the applications of wearable technologies have found a steady growth in the field of military, medical, industrial, sports; whereas fashion is at a loss to know how to treat this technology and bring it to market. The purpose of this paper is to understand the practical issues of integration of electronics in garments; cutting patterns for mass production, maintaining the basic properties of textiles and daily maintenance of garments that hinder the wide adoption of interactive fabric technology within Fashion and leisure wear. To understand the practical hindrances an experimental and laboratory approach is taken. “Techno Meets Fashion” has been an interactive fashion project where sensor technologies have been embedded with textiles that result in set of ensembles that are light emitting garments, sound sensing garments, proximity garments, shape memory garments etc. Smart textiles, especially in the form of textile interfaces, are drastically underused in fashion and other lifestyle product design. Clothing and some other textile products must be washable, which subjects to the interactive elements to water and chemical immersion, physical stress, and extreme temperature. The current state of the art tends to be too fragile for this treatment. The process for mass producing traditional textiles becomes difficult in interactive textiles. As cutting patterns from larger rolls of cloth and sewing them together to make garments breaks and reforms electronic connections in an uncontrolled manner. Because of this, interactive fabric elements are integrated by hand into textiles produced by standard methods. The Arduino has surely made embedding electronics into textiles much easier than before; even then electronics are not integral to the daily wear garments. Soft and flexible interfaces of MEMS (micro sensors and Micro actuators) can be an option to make this possible by blending electronics within E-textiles in a way that’s seamless and still retains functions of the circuits as well as the garment. Smart clothes, which offer simultaneously a challenging design and utility value, can be only mass produced if the demands of the body are taken care of i.e. protection, anthropometry, ergonomics of human movement, thermo- physiological regulation.

Analysis of Diverse Cluster Ensemble Techniques

Data mining is the procedure of determining interesting patterns from the huge amount of data. With the intention of accessing the data faster the most supporting processes needed is clustering. Clustering is the process of identifying similarity between data according to the individuality present in the data and grouping associated data objects into clusters. Cluster ensemble is the technique to combine various runs of different clustering algorithms to obtain a general partition of the original dataset, aiming for consolidation of outcomes from a collection of individual clustering outcomes. The performances of clustering ensembles are mainly affecting by two principal factors such as diversity and quality. This paper presents the overview about the different cluster ensemble algorithm along with their methods used in cluster ensemble to improve the diversity and quality in the several cluster ensemble related papers and shows the comparative analysis of different cluster ensemble also summarize various cluster ensemble methods. Henceforth this clear analysis will be very useful for the world of clustering experts and also helps in deciding the most appropriate one to determine the problem in hand.

The Design of a Vehicle Traffic Flow Prediction Model for a Gauteng Freeway Based on an Ensemble of Multi-Layer Perceptron

The cities of Johannesburg and Pretoria both located in the Gauteng province are separated by a distance of 58 km. The traffic queues on the Ben Schoeman freeway which connects these two cities can stretch for almost 1.5 km. Vehicle traffic congestion impacts negatively on the business and the commuter’s quality of life. The goal of this paper is to identify variables that influence the flow of traffic and to design a vehicle traffic prediction model, which will predict the traffic flow pattern in advance. The model will unable motorist to be able to make appropriate travel decisions ahead of time. The data used was collected by Mikro’s Traffic Monitoring (MTM). Multi-Layer perceptron (MLP) was used individually to construct the model and the MLP was also combined with Bagging ensemble method to training the data. The cross—validation method was used for evaluating the models. The results obtained from the techniques were compared using predictive and prediction costs. The cost was computed using combination of the loss matrix and the confusion matrix. The predicted models designed shows that the status of the traffic flow on the freeway can be predicted using the following parameters travel time, average speed, traffic volume and day of month. The implications of this work is that commuters will be able to spend less time travelling on the route and spend time with their families. The logistics industry will save more than twice what they are currently spending.

The Study of Using Mon Dance in Pathum Thani Province’s Tradition

This investigation is focused on using of Mon dance in Pathum Thani Province’s tradition and has the following objectives: 1) to study the background of Mon dance in Pathum Thani Province; 2) to study Mon dance in Pathum Thani Province; and 3) to study of using Mon dance in Pathum Thani province’s tradition. This qualitative research was conducted in Pathum Thani province (in the central of Thailand). Data was collected from documentary study and field data by means of observation, interview, and group discussion. Workshops were also held with a total of 100 attendees, comprised of 20 key informants, 40 casual informants and 40 general informants. Data was validated using the triangulation technique and the findings are presented using the descriptive analysis. The results of the study show that the historical background of Mon dance in Pathum Thani Province initiated during the war evacuation from Martaban (south of Burma) to settle down in Sam Khok, Pathum Thani Province in Ayutthaya period to Rattanakosin. The study found that Mon dance typically consists of 12-13 dancing process. The melodies have 12-13 songs. Piphat Mon (Mon traditional music ensemble) is used in the performance. Performers are dressed in Mon traditional costumes. The performers are 6-12 women and depending on the employer’s demands. Length of the performance varies from the duration of music orchestration. Rituals and customs performed are paying homage to teachers before the performance. The offerings are composed of flowers, incense sticks, candles, money gifts which are well arranged on a tray with pedestal, and also liquors, tobaccos and pure water for asking propitiousness. For the use of Mon dance in Pathum Thani Province’s tradition, it is found that the dance is commonly performed in the funeral ceremonial tradition at present because the physical postures of the performance are considered graceful and exquisite. In addition, as for its value, it has long been believed since the ancient times that Mon dance was a sacred thing considered as the dignity and glorification especially for funeral ceremonies of priest or royal hierarchy classes. However, Mon dance has continued to be used in the traditions associated with Mon people activities in Pathum Thani Province for instance customary welcome for honor guest and Songkran festival.

Activity Recognition by Smartphone Accelerometer Data Using Ensemble Learning Methods

As smartphones are equipped with various sensors, there have been many studies focused on using these sensors to create valuable applications. Human activity recognition is one such application motivated by various welfare applications, such as the support for the elderly, measurement of calorie consumption, lifestyle and exercise patterns analyses, and so on. One of the challenges one faces when using smartphone sensors for activity recognition is that the number of sensors should be minimized to save battery power. In this paper, we show that a fairly accurate classifier can be built that can distinguish ten different activities by using only a single sensor data, i.e., the smartphone accelerometer data. The approach that we adopt to deal with this twelve-class problem uses various methods. The features used for classifying these activities include not only the magnitude of acceleration vector at each time point, but also the maximum, the minimum, and the standard deviation of vector magnitude within a time window. The experiments compared the performance of four kinds of basic multi-class classifiers and the performance of four kinds of ensemble learning methods based on three kinds of basic multi-class classifiers. The results show that while the method with the highest accuracy is ECOC based on Random forest.

Multi-Channel Information Fusion in C-OTDR Monitoring Systems: Various Approaches to Classify of Targeted Events

The paper presents new results concerning selection of optimal information fusion formula for ensembles of C-OTDR channels. The goal of information fusion is to create an integral classificator designed for effective classification of seismoacoustic target events. The LPBoost (LP-β and LP-B variants), the Multiple Kernel Learning, and Weighing of Inversely as Lipschitz Constants (WILC) approaches were compared. The WILC is a brand new approach to optimal fusion of Lipschitz Classifiers Ensembles. Results of practical usage are presented.

A Comparative Study of Malware Detection Techniques Using Machine Learning Methods

In the past few years, the amount of malicious software increased exponentially and, therefore, machine learning algorithms became instrumental in identifying clean and malware files through (semi)-automated classification. When working with very large datasets, the major challenge is to reach both a very high malware detection rate and a very low false positive rate. Another challenge is to minimize the time needed for the machine learning algorithm to do so. This paper presents a comparative study between different machine learning techniques such as linear classifiers, ensembles, decision trees or various hybrids thereof. The training dataset consists of approximately 2 million clean files and 200.000 infected files, which is a realistic quantitative mixture. The paper investigates the above mentioned methods with respect to both their performance (detection rate and false positive rate) and their practicability.

Lipschitz Classifiers Ensembles: Usage for Classification of Target Events in C-OTDR Monitoring Systems

This paper introduces an original method for guaranteed estimation of the accuracy for an ensemble of Lipschitz classifiers. The solution was obtained as a finite closed set of alternative hypotheses, which contains an object of classification with probability of not less than the specified value. Thus, the classification is represented by a set of hypothetical classes. In this case, the smaller the cardinality of the discrete set of hypothetical classes is, the higher is the classification accuracy. Experiments have shown that if cardinality of the classifiers ensemble is increased then the cardinality of this set of hypothetical classes is reduced. The problem of the guaranteed estimation of the accuracy for an ensemble of Lipschitz classifiers is relevant in multichannel classification of target events in C-OTDR monitoring systems. Results of suggested approach practical usage to accuracy control in C-OTDR monitoring systems are present.

FEM Models of Glued Laminated Timber Beams Enhanced by Bayesian Updating of Elastic Moduli

Two finite element (FEM) models are presented in this paper to address the random nature of the response of glued timber structures made of wood segments with variable elastic moduli evaluated from 3600 indentation measurements. This total database served to create the same number of ensembles as was the number of segments in the tested beam. Statistics of these ensembles were then assigned to given segments of beams and the Latin Hypercube Sampling (LHS) method was called to perform 100 simulations resulting into the ensemble of 100 deflections subjected to statistical evaluation. Here, a detailed geometrical arrangement of individual segments in the laminated beam was considered in the construction of two-dimensional FEM model subjected to in fourpoint bending to comply with the laboratory tests. Since laboratory measurements of local elastic moduli may in general suffer from a significant experimental error, it appears advantageous to exploit the full scale measurements of timber beams, i.e. deflections, to improve their prior distributions with the help of the Bayesian statistical method. This, however, requires an efficient computational model when simulating the laboratory tests numerically. To this end, a simplified model based on Mindlin’s beam theory was established. The improved posterior distributions show that the most significant change of the Young’s modulus distribution takes place in laminae in the most strained zones, i.e. in the top and bottom layers within the beam center region. Posterior distributions of moduli of elasticity were subsequently utilized in the 2D FEM model and compared with the original simulations.

A Comprehensive Review on Different Mixed Data Clustering Ensemble Methods

An extensive amount of work has been done in data clustering research under the unsupervised learning technique in Data Mining during the past two decades. Moreover, several approaches and methods have been emerged focusing on clustering diverse data types, features of cluster models and similarity rates of clusters. However, none of the single clustering algorithm exemplifies its best nature in extracting efficient clusters. Consequently, in order to rectify this issue, a new challenging technique called Cluster Ensemble method was bloomed. This new approach tends to be the alternative method for the cluster analysis problem. The main objective of the Cluster Ensemble is to aggregate the diverse clustering solutions in such a way to attain accuracy and also to improve the eminence the individual clustering algorithms. Due to the massive and rapid development of new methods in the globe of data mining, it is highly mandatory to scrutinize a vital analysis of existing techniques and the future novelty. This paper shows the comparative analysis of different cluster ensemble methods along with their methodologies and salient features. Henceforth this unambiguous analysis will be very useful for the society of clustering experts and also helps in deciding the most appropriate one to resolve the problem in hand.

Study of Functional Relevant Conformational Mobility of β-2 Adrenoreceptor by Means of Molecular Dynamics Simulation

The study reports about the influence of binding of orthosteric ligands as well as point mutations on the conformational dynamics of β-2-adrenoreceptor. Using molecular dynamics simulation we found that there was a little fraction of active states of the receptor in its apo (ligand free) ensemble corresponded to its constitutive activity. Analysis of MD trajectories indicated that such spontaneous activation of the receptor is accompanied by the motion in intracellular part of its alpha-helices. Thus receptor’s constitutive activity directly results from its conformational dynamics. On the other hand the binding of a full agonist resulted in a significant shift of the initial equilibrium towards its active state. Finally, the binding of the inverse agonist stabilized the receptor in its inactive state. It is likely that the binding of inverse agonists might be a universal way of constitutive activity inhibition in vivo. Our results indicate that ligand binding redistribute pre-existing conformational degrees of freedom (in accordance to the Monod-Wyman-Changeux-Model) of the receptor rather than cause induced fit in it. Therefore, the ensemble of biologically relevant receptor conformations is encoded in its spatial structure, and individual conformations from that ensemble might be used by the cell in conformity with the physiological behavior.

Viability of Slab Sliding System for Single Story Structure

Slab sliding system (SSS) with Coulomb friction  interface between slab and supporting frame is a passive structural  vibration control technology. The system can significantly reduce the  slab acceleration and accompanied lateral force of the frame. At the  same time it is expected to cause the slab displacement magnification  by sliding movement. To obtain the general comprehensive seismic  response of a single story structure, inelastic response spectra were  computed for a large ensemble of ground motions and a practical range  of structural periods and friction coefficient values. It was shown that  long period structures have no trade-off relation between force  reduction and displacement magnification with respect to elastic  response, unlike short period structures. For structures with the  majority of mass in the slab, the displacement magnification value can  be predicted according to simple inelastic displacement relation for  inelastically responding SDOF structures because the system behaves  elastically to a SDOF structure.  

Prediction of Research Topics Using Ensemble of Best Predictors from Similar Dataset

Prediction of future research topics by using time series analysis either statistical or machine learning has been conducted previously by several researchers. Several methods have been proposed to combine the forecasting results into single forecast. These methods use fixed combination of individual forecast to get the final forecast result. In this paper, quite different approach is employed to select the forecasting methods, in which every point to forecast is calculated by using the best methods used by similar validation dataset. The dataset used in the experiment is time series derived from research report in Garuda, which is an online sites belongs to the Ministry of Education in Indonesia, over the past 20 years. The experimental result demonstrates that the proposed method may perform better compared to the fix combination of predictors. In addition, based on the prediction result, we can forecast emerging research topics for the next few years.

A Review: Comparative Analysis of Different Categorical Data Clustering Ensemble Methods

Over the past epoch a rampant amount of work has been done in the data clustering research under the unsupervised learning technique in Data mining. Furthermore several algorithms and methods have been proposed focusing on clustering different data types, representation of cluster models, and accuracy rates of the clusters. However no single clustering algorithm proves to be the most efficient in providing best results. Accordingly in order to find the solution to this issue a new technique, called Cluster ensemble method was bloomed. This cluster ensemble is a good alternative approach for facing the cluster analysis problem. The main hope of the cluster ensemble is to merge different clustering solutions in such a way to achieve accuracy and to improve the quality of individual data clustering. Due to the substantial and unremitting development of new methods in the sphere of data mining and also the incessant interest in inventing new algorithms, makes obligatory to scrutinize a critical analysis of the existing techniques and the future novelty. This paper exposes the comparative study of different cluster ensemble methods along with their features, systematic working process and the average accuracy and error rates of each ensemble methods. Consequently this speculative and comprehensive analysis will be very useful for the community of clustering practitioners and also helps in deciding the most suitable one to rectify the problem in hand.

Recommender Systems Using Ensemble Techniques

This study proposes a novel recommender system that uses data mining and multi-model ensemble techniques to enhance the recommendation performance through reflecting the precise user’s preference. The proposed model consists of two steps. In the first step, this study uses logistic regression, decision trees, and artificial neural networks to predict customers who have high likelihood to purchase products in each product group. Then, this study combines the results of each predictor using the multi-model ensemble techniques such as bagging and bumping. In the second step, this study uses the market basket analysis to extract association rules for co-purchased products. Finally, the system selects customers who have high likelihood to purchase products in each product group and recommends proper products from same or different product groups to them through above two steps. We test the usability of the proposed system by using prototype and real-world transaction and profile data. In addition, we survey about user satisfaction for the recommended product list from the proposed system and the randomly selected product lists. The results also show that the proposed system may be useful in real-world online shopping store.

Temperature Effect on the Mechanical Properties of Pd3Rh and PdRh3 Ordered Alloys

The aim of this research was to calculate the mechanical properties of Pd3Rh and PdRh3 ordered alloys. The molecular dynamics (MD) simulation technique was used to obtain temperature dependence of the energy, the Yong modulus, the shear modulus, the bulk modulus, Poisson-s ratio and the elastic stiffness constants at the isobaric-isothermal (NPT) ensemble in the range of 100-325 K. The interatomic potential energy and force on atoms were calculated by Quantum Sutton-Chen (Q-SC) many body potential. Our MD simulation results show the effect of temperature on the cohesive energy and mechanical properties of Pd3Rh as well as PdRh3 alloys. Our computed results show good agreement with the experimental results where they have been available.

An Experimental Study of a Self-Supervised Classifier Ensemble

Learning using labeled and unlabelled data has received considerable amount of attention in the machine learning community due its potential in reducing the need for expensive labeled data. In this work we present a new method for combining labeled and unlabeled data based on classifier ensembles. The model we propose assumes each classifier in the ensemble observes the input using different set of features. Classifiers are initially trained using some labeled samples. The trained classifiers learn further through labeling the unknown patterns using a teaching signals that is generated using the decision of the classifier ensemble, i.e. the classifiers self-supervise each other. Experiments on a set of object images are presented. Our experiments investigate different classifier models, different fusing techniques, different training sizes and different input features. Experimental results reveal that the proposed self-supervised ensemble learning approach reduces classification error over the single classifier and the traditional ensemble classifier approachs.

Clinical Decision Support for Disease Classification based on the Tests Association

Until recently, researchers have developed various tools and methodologies for effective clinical decision-making. Among those decisions, chest pain diseases have been one of important diagnostic issues especially in an emergency department. To improve the ability of physicians in diagnosis, many researchers have developed diagnosis intelligence by using machine learning and data mining. However, most of the conventional methodologies have been generally based on a single classifier for disease classification and prediction, which shows moderate performance. This study utilizes an ensemble strategy to combine multiple different classifiers to help physicians diagnose chest pain diseases more accurately than ever. Specifically the ensemble strategy is applied by using the integration of decision trees, neural networks, and support vector machines. The ensemble models are applied to real-world emergency data. This study shows that the performance of the ensemble models is superior to each of single classifiers.

On the Learning of Causal Relationships between Banks in Saudi Equities Market Using Ensemble Feature Selection Methods

Financial forecasting using machine learning techniques has received great efforts in the last decide . In this ongoing work, we show how machine learning of graphical models will be able to infer a visualized causal interactions between different banks in the Saudi equities market. One important discovery from such learned causal graphs is how companies influence each other and to what extend. In this work, a set of graphical models named Gaussian graphical models with developed ensemble penalized feature selection methods that combine ; filtering method, wrapper method and a regularizer will be shown. A comparison between these different developed ensemble combinations will also be shown. The best ensemble method will be used to infer the causal relationships between banks in Saudi equities market.