Search results for: graph mining

Authors: K. Hema Shankari, R. Thirumalaiselvi, N. V. Balasubramanian

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The present paper addresses to the research in the area of regression testing with emphasis on automated tools as well as prioritization of test cases. The uniqueness of regression testing and its cyclic nature is pointed out. The difference in approach between industry, with business model as basis, and academia, with focus on data mining, is highlighted. Test Metrics are discussed as a prelude to our formula for prioritization; a case study is further discussed to illustrate this methodology. An industrial case study is also described in the paper, where the number of test cases is so large that they have to be grouped as Test Suites. In such situations, a genetic algorithm proposed by us can be used to reconfigure these Test Suites in each cycle of regression testing. The comparison is made between a proprietary tool and an open source tool using the above-mentioned metrics. Our approach is clarified through several tables.

Keywords: APFD metric, genetic algorithm, regression testing, RFT tool, test case prioritization, selenium tool

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Authors: A. Baloglu, A. Çınar

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Different tools and technologies were implemented for Crisis Response and Management (CRM) which is generally using available network infrastructure for information exchange. Depending on type of disaster or crisis, network infrastructure could be affected and it could not be able to provide reliable connectivity. Thus any tool or technology that depends on the connectivity could not be able to fulfill its functionalities. As a solution, a new message exchange framework has been developed. Framework provides offline/online information exchange platform for CRM Information Systems (CRMIS) and it uses XML compression and packet prioritization algorithms and is based on open source web technologies. By introducing offline capabilities to the web technologies, framework will be able to perform message exchange on unreliable networks. The experiments done on the simulation environment provide promising results on low bandwidth networks (56kbps and 28.8 kbps) with up to 50% packet loss and the solution is to successfully transfer all the information on these low quality networks where the traditional 2 and 3 tier applications failed.

Keywords: crisis response and management, XML messaging, web services, XML compression, mining

Procedia PDF Downloads 339

Authors: Somayeh Komeylian

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The direction of arrival (DoA) estimation is the crucial aspect of the radar technologies for detecting and dividing several signal sources. In this scenario, the antenna array output modeling involves numerous parameters including noise samples, signal waveform, signal directions, signal number, and signal to noise ratio (SNR), and thereby the methods of the DoA estimation rely heavily on the generalization characteristic for establishing a large number of the training data sets. Hence, we have analogously represented the two different optimization models of the DoA estimation; (1) the implementation of the decision directed acyclic graph (DDAG) for the multiclass least-squares support vector machine (LS-SVM), and (2) the optimization method of the deep neural network (DNN) radial basis function (RBF). We have rigorously verified that the LS-SVM DDAG algorithm is capable of accurately classifying DoAs for the three classes. However, the accuracy and robustness of the DoA estimation are still highly sensitive to technological imperfections of the antenna arrays such as non-ideal array design and manufacture, array implementation, mutual coupling effect, and background radiation and thereby the method may fail in representing high precision for the DoA estimation. Therefore, this work has a further contribution on developing the DNN-RBF model for the DoA estimation for overcoming the limitations of the non-parametric and data-driven methods in terms of array imperfection and generalization. The numerical results of implementing the DNN-RBF model have confirmed the better performance of the DoA estimation compared with the LS-SVM algorithm. Consequently, we have analogously evaluated the performance of utilizing the two aforementioned optimization methods for the DoA estimation using the concept of the mean squared error (MSE).

Keywords: DoA estimation, Adaptive antenna array, Deep Neural Network, LS-SVM optimization model, Radial basis function, and MSE

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Authors: H. Khanfari, M. Johari Fard

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Dealing with carbonate reservoirs can be mind-boggling for the reservoir engineers due to various digenetic processes that cause a variety of properties through the reservoir. A good estimation of the reservoir heterogeneity which is defined as the quality of variation in rock properties with location in a reservoir or formation, can better help modeling the reservoir and thus can offer better understanding of the behavior of that reservoir. Most of reservoirs are heterogeneous formations whose mineralogy, organic content, natural fractures, and other properties vary from place to place. Over years, reservoir engineers have tried to establish methods to describe the heterogeneity, because heterogeneity is important in modeling the reservoir flow and in well testing. Geological methods are used to describe the variations in the rock properties because of the similarities of environments in which different beds have deposited in. To illustrate the heterogeneity of a reservoir vertically, two methods are generally used in petroleum work: Dykstra-Parsons permeability variations (V) and Lorenz coefficient (L) that are reviewed briefly in this paper. The concept of Lorenz is based on statistics and has been used in petroleum from that point of view. In this paper, we correlated the statistical-based Lorenz method to a petroleum concept, i.e. Kozeny-Carman equation and derived the straight line plot of Lorenz graph for a homogeneous system. Finally, we applied the two methods on a heterogeneous field in South Iran and discussed each, separately, with numbers and figures. As expected, these methods show great departure from homogeneity. Therefore, for future investment, the reservoir needs to be treated carefully.

Keywords: carbonate reservoirs, heterogeneity, homogeneous system, Dykstra-Parsons permeability variations (V), Lorenz coefficient (L)

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Authors: C. Rana, S. K. Jain

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The enormous amount of Web data has challenged its usage in efficient manner in the past few years. As such, a range of techniques are applied to tackle this problem; prominent among them is personalization and recommender system. In fact, these are the tools that assist user in finding relevant information of web. Most of the e-commerce websites are applying such tools in one way or the other. In the past decade, a large number of recommendation algorithms have been proposed to tackle such problems. However, there have not been much research in the evaluation criteria for these algorithms. As such, the traditional accuracy and classification metrics are still used for the evaluation purpose that provides a static view. This paper studies how the evolution of user preference over a period of time can be mapped in a recommender system using a new evaluation methodology that explicitly using time dimension. We have also presented different types of experimental set up that are generally used for recommender system evaluation. Furthermore, an overview of major accuracy metrics and metrics that go beyond the scope of accuracy as researched in the past few years is also discussed in detail.

Keywords: collaborative filtering, data mining, evolutionary, clustering, algorithm, recommender systems

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Authors: Prince Dacosta Aboagye, Ayyoob Sharifi

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Cities respond to climate concerns mainly through their climate action plans (CAPs). A comprehensive content analysis of the dynamics in existing urban CAPs is not well represented in the literature. This literature void presents a difficulty in appreciating the strengths and weaknesses of urban CAPs. Here, we perform a qualitative content analysis (QCA) on CAPs from 278 cities worldwide and use text-mining tools to map and visualize the relevant data. Our analysis showed a decline in the number of CAPs developed and published following the global COVID-19 lockdown period. Evidently, megacities are leading the deep decarbonisation agenda. We also observed a transition from developing mainly mitigation-focused CAPs pre-COP21 to both mitigation and adaptation CAPs. A lack of inclusiveness in local climate planning was common among European and North American cities. The evidence is a catalyst for understanding the trends in existing urban CAPs to shape future urban climate planning.

Keywords: urban, climate action plans, strengths, weaknesses

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Authors: Meng Su

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High-dimensional data analysis often presents challenges in capturing the complex, nonlinear relationships and manifold structures inherent to the data. This article presents a novel approach that leverages the strengths of two powerful techniques, Diffusion Maps and Diffusion Probabilistic Models (DPMs), to address these challenges. By integrating the dimensionality reduction capability of Diffusion Maps with the data modeling ability of DPMs, the proposed method aims to provide a comprehensive solution for analyzing and generating high-dimensional data. The Diffusion Map technique preserves the nonlinear relationships and manifold structure of the data by mapping it to a lower-dimensional space using the eigenvectors of the graph Laplacian matrix. Meanwhile, DPMs capture the dependencies within the data, enabling effective modeling and generation of new data points in the low-dimensional space. The generated data points can then be mapped back to the original high-dimensional space, ensuring consistency with the underlying manifold structure. Through a detailed example implementation, the article demonstrates the potential of the proposed hybrid approach to achieve more accurate and effective modeling and generation of complex, high-dimensional data. Furthermore, it discusses possible applications in various domains, such as image synthesis, time-series forecasting, and anomaly detection, and outlines future research directions for enhancing the scalability, performance, and integration with other machine learning techniques. By combining the strengths of Diffusion Maps and DPMs, this work paves the way for more advanced and robust data analysis methods.

Keywords: diffusion maps, diffusion probabilistic models (DPMs), manifold learning, high-dimensional data analysis

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Authors: Doyin Afolabi, Phillip Adewole, Oladipupo Sennaike

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Most well-known classifiers, including the decision tree algorithm, can make predictions on balanced datasets efficiently. However, the decision tree algorithm tends to be biased towards imbalanced datasets because of the skewness of the distribution of such datasets. To overcome this problem, this study proposes a weighted decision tree algorithm that aims to remove the bias toward the majority class and prevents the reduction of majority observations in imbalance datasets classification. The proposed weighted decision tree algorithm was tested on three imbalanced datasets- cancer dataset, german credit dataset, and banknote dataset. The specificity, sensitivity, and accuracy metrics were used to evaluate the performance of the proposed decision tree algorithm on the datasets. The evaluation results show that for some of the weights of our proposed decision tree, the specificity, sensitivity, and accuracy metrics gave better results compared to that of the ID3 decision tree and decision tree induced with minority entropy for all three datasets.

Keywords: data mining, decision tree, classification, imbalance dataset

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Authors: Yangze Lan, Ruihua Xv, Feng Zhou, Yijia Shan, Longhao Zhang, Qinghui Xv

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Receiving and dispatching trains is an important part of railroad organization, and the risky evaluation of operating personnel is still reflected by scores, lacking further excavation of wrong answers and operating accidents. With natural language processing (NLP) technology, this study extracts the keywords and key phrases of 40 relevant risk events about receiving and dispatching trains and reclassifies the risk events into 8 categories, such as train approach and signal risks, dispatching command risks, and so on. Based on the historical risk data of personnel, the K-Means clustering method is used to classify the risk level of personnel. The result indicates that the high-risk operating personnel need to strengthen the training of train receiving and dispatching operations towards essential trains and abnormal situations.

Keywords: receiving and dispatching trains, natural language processing, risk evaluation, K-means clustering

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Authors: Tadayuki Kyoutani, Shigeyuki Haruyama, Ken Kaminishi, Zefry Darmawan

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Japan’s semiconductor industries have developed greatly in recent years. Many were started from a Small and Medium-sized Enterprises (SMEs) that found at a good circumstance and now become the prosperous industries in the world. Sustainable growth factors that support the creation of spirit value inside the Japanese company were strongly embedded through performance. Those factors were not clearly defined among each company. A series of literature research conducted to explore quantitative text mining about the definition of sustainable growth factors. Sustainable criteria were developed from previous research to verify the definition of the factors. A typical frame work was proposed as a systematical approach to develop sustainable growth factor in a specific company. Result of approach was review in certain period shows that factors influenced in sustainable growth was importance for the company to achieve the goal.

Keywords: SME, manufacture, sustainable, growth factor

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Authors: Adriano Araujo Carvalho, Arturo Alatrista Corrales

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This paper intends to show how electrical energy consumption and production data analysis were used to find opportunities to save energy at Taboada wastewater treatment plant in Callao, Peru. In order to access the data, it was used independent data networks for both electrical and process instruments, which were taken to analyze under an ISO 50001 energy audit, which considered, thus, Energy Performance Indexes for each process and a step-by-step guide presented in this text. Due to the use of aforementioned methodology and data mining techniques applied on information gathered through electronic multimeters (conveniently placed on substation switchboards connected to a cloud network), it was possible to identify thoroughly the performance of each process and thus, evidence saving opportunities which were previously hidden before. The data analysis brought both costs and energy reduction, allowing the plant to save significant resources and to be certified under ISO 50001.

Keywords: energy and production data analysis, energy management, ISO 50001, wastewater treatment plant energy analysis

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Authors: Salima Smiti, Ines Gasmi, Makram Soui

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Credit risk is the most important issue for financial institutions. Its assessment becomes an important task used to predict defaulter customers and classify customers as good or bad payers. To this objective, numerous techniques have been applied for credit risk assessment. However, to our knowledge, several evaluation techniques are black-box models such as neural networks, SVM, etc. They generate applicants’ classes without any explanation. In this paper, we propose to assess credit risk using rules classification method. Our output is a set of rules which describe and explain the decision. To this end, we will compare seven classification algorithms (JRip, Decision Table, OneR, ZeroR, Fuzzy Rule, PART and Genetic programming (GP)) where the goal is to find the best rules satisfying many criteria: accuracy, sensitivity, and specificity. The obtained results confirm the efficiency of the GP algorithm for German and Australian datasets compared to other rule-based techniques to predict the credit risk.

Keywords: credit risk assessment, classification algorithms, data mining, rule extraction

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Authors: Abhigyan Hedau, Priya Shelke, Riddhi Mirajkar, Shreyash Chaple, Mrunali Gadekar, Himanshu Akula

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The heart is the coordinating centre of the major endocrine glandular structure of the body, which produces hormones that profoundly affect the operations of the body, and diagnosing cardiovascular disease is a difficult but critical task. By extracting knowledge and information about the disease from patient data, data mining is a more practical technique to help doctors detect disorders. We use a variety of machine learning methods here, including logistic regression and support vector classifiers (SVC), K-nearest neighbours Classifiers (KNN), Decision Tree Classifiers, Random Forest classifiers and Gradient Boosting classifiers. These algorithms are applied to patient data containing 13 different factors to build a system that predicts heart disease in less time with more accuracy.

Keywords: logistic regression, support vector classifier, k-nearest neighbour, decision tree, random forest and gradient boosting

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Authors: Martin H¨ausl, Maximilian Auch, Johannes Forster, Peter Mandl, Alexander Schill

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In order to survive on the market, companies must constantly develop improved and new products. These products are designed to serve the needs of their customers in the best possible way. The creation of new products is also called innovation and is primarily driven by a company’s internal research and development department. However, a new approach has been taking place for some years now, involving external knowledge in the innovation process. This approach is called open innovation and identifies customer knowledge as the most important source in the innovation process. This paper presents a concept of using social media posts as an external source to support the open innovation approach in its initial phase, the Ideation phase. For this purpose, the social media posts are semantically structured with the help of an ontology and the authors are evaluated using graph-theoretical metrics such as density. For the structuring and evaluation of relevant social media posts, we also use the findings of Natural Language Processing, e. g. Named Entity Recognition, specific dictionaries, Triple Tagger and Part-of-Speech-Tagger. The selection and evaluation of the tools used are discussed in this paper. Using our ontology and metrics to structure social media posts enables users to semantically search these posts for new product ideas and thus gain an improved insight into the external sources such as customer needs.

Keywords: idea ontology, innovation management, semantic search, open information extraction

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Authors: Kanika S. Raheja, A. Pandey, Shaila Bahl, Pratik Kumar, S. P. Lochab

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The subject of undertaking for this paper is the study of BaSO4 nanophosphor doped with Europium in which mainly the concentration of the rare earth impurity Eu (0.05, 0.1, 0.2, 0.5, and 1 mol %) has been varied. A comparative study of the thermoluminescence(TL) properties of the given nanophosphor has also been done using a well-known standard dosimetry material i.e. TLD-100.Firstly, a number of samples were prepared successfully by the chemical co-precipitation method. The whole lot was then compared to a well established standard material (TLD-100) for its TL sensitivity property. BaSO4:Eu ( 0.2 mol%) showed the highest sensitivity out of the lot. It was also found that when compared to the standard TLD-100, BaSo4:Eu (0.2mol%) showed surprisingly high sensitivity for a large range of doses. The TL response curve for all prepared samples has also been studied over a wide range of doses i.e 10Gy to 2kGy for gamma radiation. Almost all the samples of BaSO4:Eu showed a remarkable linearity for a broad range of doses, which is a characteristic feature of a fine TL dosimeter. The graph remained linear even beyond 1kGy for gamma radiation. Thus, the given nanophosphor has been successfully optimised for the concentration of the dopant material to achieve its highest TL sensitivity. Further, the comparative study with the standard material revealed that the current optimised sample shows an astonishingly better TL sensitivity and a phenomenal linear response curve for an incredibly wide range of doses for gamma radiation (Co-60) as compared to the standard TLD-100, which makes the current optimised BaSo4:Eu quite promising as an efficient gamma radiation dosimeter. Lastly, the present phosphor has been optimised for its annealing temperature to acquire the best results while also studying its fading and reusability properties.

Keywords: gamma radiation, nanoparticles, radiation dosimetry, thermoluminescence

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Authors: Monica Lia

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This article presents a customer data analysis model using business intelligence tools for data modelling, transforming, data visualization and dynamic reports building. Economic organizational customer’s analysis is made based on the information from the transactional systems of the organization. The paper presents how to develop the data model starting for the data that companies have inside their own operational systems. The owned data can be transformed into useful information about customers using business intelligence tool. For a mature market, knowing the information inside the data and making forecast for strategic decision become more important. Business Intelligence tools are used in business organization as support for decision-making.

Keywords: customer analysis, business intelligence, data warehouse, data mining, decisions, self-service reports, interactive visual analysis, and dynamic dashboards, use cases diagram, process modelling, logical data model, data mart, ETL, star schema, OLAP, data universes

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Authors: Monika Chuchro

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This paper presents a preliminary attempt to apply classification of time series using meta-clusters in order to improve the quality of regression models. In this case, clustering was performed as a method to obtain a subgroups of time series data with normal distribution from inflow into waste water treatment plant data which Composed of several groups differing by mean value. Two simple algorithms: K-mean and EM were chosen as a clustering method. The rand index was used to measure the similarity. After simple meta-clustering, regression model was performed for each subgroups. The final model was a sum of subgroups models. The quality of obtained model was compared with the regression model made using the same explanatory variables but with no clustering of data. Results were compared by determination coefficient (R2), measure of prediction accuracy mean absolute percentage error (MAPE) and comparison on linear chart. Preliminary results allows to foresee the potential of the presented technique.

Keywords: clustering, data analysis, data mining, predictive models

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Authors: Lali Khurtsia, Vano Tsertsvadze

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Georgian drug policy is directed to reduce the supply of drugs. Retrospective analysis has shown that law enforcement activities have been followed by the expulsion of particular injecting drugs. The demand remains unchanged and drugs are substituted by the hand-made, even more dangerous homemade drugs entered the market. To find out expected new trends on the Georgian drug market, qualitative study was conducted with Georgian drug users to determine drug supply routes. It turned out that drug suppliers and consumers for safety reasons and to protect their anonymity, use Skype to make deals. IT in illegal drug trade is even more sophisticated in the worldwide. Trading with Bitcoins in the Darknet ensures high confidentiality of money transactions and the safe circulation of drugs. In 2014 largest Bitcoin mining enterprise in the world was built in Georgia. We argue that the use of Bitcoins and Darknet by Georgian drug consumers and suppliers will be an incentive to response adequately to the government's policy of restricting supply in order to satisfy market demand for drugs.

Keywords: bitcoin, darknet, drugs, policy

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Authors: Svetlana Gusarova

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The essential role in the recent development of world economy has led to the developing countries, notably to BRICS countries (Brazil, Russia, India, China, South Africa). Over the next 50 years the BRICS countries are expected to be the engines of global trade and economic growth. Trade cooperation of BRICS countries can enhance their economic development. BRICS countries were among Top 10 world exporters of office and telecom equipment, of textiles, of clothing, of iron and steel, of chemicals, of agricultural products, of automotive products, of fuel and mining products. China was one of the main trading partners of all BRICS countries, maintaining close relationship with all BRICS countries in the development of trade. Author analyzed trade complementarity of BRICS countries and revealed the high level of complementarity of their trade flows in connection with availability of specialization in different types of goods. The correlation and regression analysis of communication of Intra-BRICS merchandise turnover and their GDP (PPP) revealed very strong impact on the development of their economies.

Keywords: BRICS countries, trade cooperation, complementarity, regression analysis

Procedia PDF Downloads 281

Authors: Muhammad Shahzad Shifa, Amna Shifa, Muhammad Omar, Aamir Shahzad, Rahmat Ali Khan

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Many applications of remote sensing to vegetation and crop response depend on spectral properties of individual leaves and plants. Vegetation indices are usually determined to estimate crop biophysical parameters like crop canopies and crop leaf area indices with the help of remote sensing. Cotton crops assessment is performed with the help of vegetative indices. Remotely sensed images from an optical multispectral radiometer MSR5 are used in this study. The interpretation is based on the fact that different materials reflect and absorb light differently at different wavelengths. Non-normalized and normalized forms of these datasets are analyzed using two complementary data mining algorithms; K-means and K-nearest neighbor (KNN). Our analysis shows that the use of normalized reflectance data and vegetative indices are suitable for an automated assessment and decision making.

Keywords: cotton, condition assessment, KNN algorithm, clustering, MSR5, vegetation indices

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Authors: Jafar Ahmadi, Nafiseh Noormohammadi, Sedegeh Fabriki Ourang

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GRF, Growth regulating factor, genes encode a novel class of plant-specific transcription factors. The GRF proteins play a role in the regulation of cell numbers in young and growing tissues and may act as transcription activations in growth and development of plants. Identification of GRF genes and their expression are important in plants to performance of the growth and development of various organs. In this study, to better understanding the structural and functional differences of GRFs family, 45 GRF proteins sequences in A. thaliana, Z. mays, O. sativa, B. napus, B. rapa, H. vulgare, and S. bicolor, have been collected and analyzed through bioinformatics data mining. As a result, in secondary structure of GRFs, the number of alpha helices was more than beta sheets and in all of them QLQ domains were completely in the biggest alpha helix. In all GRFs, QLQ, and WRC domains were completely protected except in AtGRF9. These proteins have no trans-membrane domain and due to have nuclear localization signals act in nuclear and they are component of unstable proteins in the test tube.

Keywords: domain, gene family, GRF, motif

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Authors: Usha Lokala, Srinivas Nowduri, Prabhakar K. Sharma

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Useful information has been extracted from the road accident data in United Kingdom (UK), using data analytics method, for avoiding possible accidents in rural and urban areas. This analysis make use of several methodologies such as data integration, support vector machines (SVM), correlation machines and multinomial goodness. The entire datasets have been imported from the traffic department of UK with due permission. The information extracted from these huge datasets forms a basis for several predictions, which in turn avoid unnecessary memory lapses. Since data is expected to grow continuously over a period of time, this work primarily proposes a new framework model which can be trained and adapt itself to new data and make accurate predictions. This work also throws some light on use of SVM’s methodology for text classifiers from the obtained traffic data. Finally, it emphasizes the uniqueness and adaptability of SVMs methodology appropriate for this kind of research work.

Keywords: support vector mechanism (SVM), machine learning (ML), support vector machines (SVM), department of transportation (DFT)

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Authors: Pawel Sowa, Joachim Bargiel, Bogdan Mol, Katarzyna Luszcz

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The article raises the issue of the development of local renewable energy sources and the production of distributed energy in context of improving the reliability of the Polish Power System and the beneficial impact on local and national energy security. The paper refers to the current problems of local governments in the process of investment in the area of distributed energy projects, and discusses the issues of the future role and cooperation within the local power plants and distributed energy. Attention is paid to the local communities the chance to raise their own resources and management of energy fuels (biomass, wind, gas mining) and improving the local energy balance. The material presented takes the issue of the development of the energy potential of municipalities and future cooperation with professional energy. As an example, practical solutions used in one of the communes in Silesia.

Keywords: distributed generation, mini centers energy, renewable energy sources, reliability of supply of rural commune

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

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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, machine learning

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Authors: Jacob Green, Cecilia Cabrera, Maximilian Jakobs, Andrea Dimitracopoulos, Mark van der Wilk, Ryan Greenhalgh

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Predicting drug properties is key in drug discovery to enable de-risking of assets before expensive clinical trials and to find highly active compounds faster. Interest from the machine learning community has led to the release of a variety of benchmark datasets and proposed methods. However, it remains unclear for practitioners which method or approach is most suitable, as different papers benchmark on different datasets and methods, leading to varying conclusions that are not easily compared. Our large-scale empirical study links together numerous earlier works on different datasets and methods, thus offering a comprehensive overview of the existing property classes, datasets, and their interactions with different methods. We emphasise the importance of uncertainty quantification and the time and, therefore, cost of applying these methods in the drug development decision-making cycle. To the best of the author's knowledge, it has been observed that the optimal approach varies depending on the dataset and that engineered features with classical machine learning methods often outperform deep learning. Specifically, QSAR datasets are typically best analysed with classical methods such as Gaussian Processes, while ADMET datasets are sometimes better described by Trees or deep learning methods such as Graph Neural Networks or language models. Our work highlights that practitioners do not yet have a straightforward, black-box procedure to rely on and sets a precedent for creating practitioner-relevant benchmarks. Deep learning approaches must be proven on these benchmarks to become the practical method of choice in drug property prediction.

Keywords: activity (QSAR), ADMET, classical methods, drug property prediction, empirical study, machine learning

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Authors: Janusz Kwaśniewski, Ireneusz Dominik, Krzysztof Lalik

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The knowledge about rock layers thickness, especially above drilled mining pavements are crucial for workers safety. The measuring systems used nowadays are generally imperfect and there is a strong demand for improvement. The application of a new type of a measurement system called Self-Excited Acoustical System is presented in the paper. The system was applied until now to monitor stress changes in metal and concrete constructions. The change in measurement methodology resulted in possibility of measuring the thickness of the rocks above the tunnels as well as thickness of a singular rock layer. The idea is to find two resonance frequencies of the self-exited system, which consists of a vibration exciter and vibration receiver placed at a distance, which are coupled with a proper power amplifier, and which operate in a closed loop with a positive feedback. The resonance with the higher amplitude determines thickness of the whole rock, whereas the lower amplitude resonance indicates thickness of a singular layer. The results of the laboratory tests conducted on a group of different rock materials are also presented.

Keywords: auto-oscillator, non-destructive testing, rock thickness measurement, geotechnic

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Authors: Po-Ting Chen, Santhanamoorthi Nachimuthu, Jyh-Chiang Jiang

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Classical molecular dynamics (CMD) simulations are highly efficient for material simulations but have limited accuracy. In contrast, ab initio molecular dynamics (AIMD) provides high precision by solving the Kohn–Sham equations yet requires significant computational resources, restricting the size of systems and time scales that can be simulated. To address these challenges, we employed NequIP, a machine learning model based on an E(3)-equivariant graph neural network, to accelerate molecular dynamics simulations of a 1M LiPF6 in EC/EMC (v/v 3:7) for Li battery applications. AIMD calculations were initially conducted using the Vienna Ab initio Simulation Package (VASP) to generate highly accurate atomic positions, forces, and energies. This data was then used to train the NequIP model, which efficiently learns from the provided data. NequIP achieved AIMD-level accuracy with significantly less training data. After training, NequIP was integrated into the LAMMPS software to enable molecular dynamics simulations of larger systems over longer time scales. This method overcomes the computational limitations of AIMD while improving the accuracy limitations of CMD, providing an efficient and precise computational framework. This study showcases NequIP’s applicability to electrolyte systems, particularly for simulating the dynamics of LiPF6 ionic mixtures. The results demonstrate substantial improvements in both computational efficiency and simulation accuracy, highlighting the potential of machine learning models to enhance molecular dynamics simulations.

Keywords: lithium-ion batteries, electrolyte simulation, molecular dynamics, neural network

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Authors: Dominika Collett

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AI applications, such as machine learning, require access to a vast amount of data in the training phase, which can often be the subject of copyright protection. During later usage, the various content with which the application works can be recorded or made available on the basis of which it produces the resulting output. The EU has recently adopted new legislation to secure machine access to protected works under the DSM Directive; but, the issue of machine use of copyright works is not clearly addressed. However, such clarity is needed regarding the increasing importance of AI and its development. Therefore, this paper provides a basic background of the technology used in the development of applications in the field of computer creativity. The second part of the paper then will focus on a legal analysis of machine use of the authors' works from the perspective of existing European and Czech legislation. The main results of the paper discuss the potential collision of existing legislation in regards to machine use of works with special focus on exceptions and limitations. The legal regulation of machine use of copyright work will impact the development of AI technology.

Keywords: copyright, artificial intelligence, legal use, infringement, Czech law, EU law, text and data mining

Procedia PDF Downloads 123

Authors: J. BalaRaju, M. Govinda Raj, C. S. N. Murthy

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Every organization in the competitive world tends to improve its economy by increasing their production and productivity rates. Unequivocally, the production in Indian underground mines over the years is not satisfactory, due to a variety of reasons. There are manifold of avenues for the betterment of production, and one such approach is through enhanced utilization of mechanized equipment such as Load Haul Dumper (LHD). This is used as loading and hauling purpose in underground mines. In view of the aforementioned facts, this paper delves into identification of the key influencing factors such as LHDs maintenance effectiveness, vehicle condition, operator skill and utilization of the machines on performance of LHDs. An attempt has been made for improvement of performance of the equipment through evaluation of Overall Equipment Effectiveness (OEE). Two different approaches for evaluation of OEE have been adopted and compared under various operating conditions. The use of OEE calculation in terms of percentage availability, performance and quality and the hitherto existing situation of the underground mine production is evaluated. Necessary recommendations are suggested to mining industry on the basis of OEE.

Keywords: utilization, maintenance, availability, performance and quality

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Authors: Reza Bahboodian

Abstract:

One of the most important factors in the use of construction machinery is the fuel consumption cost of this equipment. The use of diesel engines in off-road vehicles is an important source of nitrogen oxides and particulate matter. Emissions of nitrogen oxides and particulate matter 10 in off-road vehicles (construction and mining) may be high. Due to the high cost of fuel, it is necessary to minimize fuel consumption. Factors affecting the fuel consumption of these cars are very diverse. Climate changes such as changes in pressure, temperature, humidity, fuel type selection, type of gearbox used in the car are effective in fuel consumption and pollution, and engine efficiency. In this paper, methods for reducing fuel consumption and pollutants by considering valid European and European standards are examined based on new methods such as hybridization, optimal gear change, adding hydrogen to diesel fuel, determining optimal working fluids, and using oxidation catalysts.

Keywords: improve fuel consumption, construction machinery, pollutant reduction, determining the optimal working cycle

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