Search results for: machine learning methods

Authors: S. Sarumathi, M. Vaishnavi, S. Geetha, P. Ranjetha

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Machine learning is a new and exciting area of artificial intelligence nowadays. Machine learning is the most valuable, time, supervised, and cost-effective approach. It is not a narrow learning approach; it also includes a wide range of methods and techniques that can be applied to a wide range of complex realworld problems and time domains. Biological image classification, adaptive testing, computer vision, natural language processing, object detection, cancer detection, face recognition, handwriting recognition, speech recognition, and many other applications of machine learning are widely used in research, industry, and government. Every day, more data are generated, and conventional machine learning techniques are becoming obsolete as users move to distributed and real-time operations. By providing fundamental knowledge of machine learning tools and research opportunities in the field, the aim of this article is to serve as both a comprehensive overview and a guide. A diverse set of machine learning resources is demonstrated and contrasted with the key features in this survey.

Keywords: Artificial intelligence, machine learning, deep learning, machine learning algorithms, machine learning tools.

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Authors: Damith Senanayake, Lakmal Muthugama, Laksheen Mendis, Tiroshan Madushanka

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Customer churn prediction is one of the most useful areas of study in customer analytics. Due to the enormous amount of data available for such predictions, machine learning and data mining have been heavily used in this domain. There exist many machine learning algorithms directly applicable for the problem of customer churn prediction, and here, we attempt to experiment on a novel approach by using a cognitive learning based technique in an attempt to improve the results obtained by using a combination of supervised learning methods, with cognitive unsupervised learning methods.

Keywords: Growing Self Organizing Maps, Kernel Methods, Churn Prediction.

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Authors: Hy Dang, Bo Mei

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The development of machine learning methods and techniques has opened doors for investigation in many areas such as medicines, economics, finance, etc. One active research area involving machine learning is stock market prediction. This research paper tries to consider multiple techniques and methods for stock movement prediction using historical price or price factors. The paper explores the effectiveness of some deep learning frameworks for forecasting stock. Moreover, an architecture (TimeStock) is proposed which takes the representation of time into account apart from the price information itself. Our model achieves a promising result that shows a potential approach for the stock movement prediction problem.

Keywords: Classification, machine learning, time representation, stock prediction.

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Authors: Ying Zhao

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Keystroke authentication is a new access control system to identify legitimate users via their typing behavior. In this paper, machine learning techniques are adapted for keystroke authentication. Seven learning methods are used to build models to differentiate user keystroke patterns. The selected classification methods are Decision Tree, Naive Bayesian, Instance Based Learning, Decision Table, One Rule, Random Tree and K-star. Among these methods, three of them are studied in more details. The results show that machine learning is a feasible alternative for keystroke authentication. Compared to the conventional Nearest Neighbour method in the recent research, learning methods especially Decision Tree can be more accurate. In addition, the experiment results reveal that 3-Grams is more accurate than 2-Grams and 4-Grams for feature extraction. Also, combination of attributes tend to result higher accuracy.

Keywords: Keystroke Authentication, Pattern recognition, MachineLearning, Instance-based Learning, Bayesian, Decision Tree.

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Authors: Jennifer Leach, Umashanger Thayasivam

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The use of technology has benefited society in more ways than one ever thought possible. Unfortunately, as society’s knowledge of technology has advanced, so has its knowledge of ways to use technology to manipulate others. This has led to a simultaneous advancement in the world of fraud. Machine learning techniques can offer a possible solution to help decrease these advancements. This research explores how the use of various machine learning techniques can aid in detecting fraudulent activity across two different types of fraudulent datasets, and the accuracy, precision, recall, and F1 were recorded for each method. Each machine learning model was also tested across five different training and testing splits in order to discover which split and technique would lead to the most optimal results.

Keywords: Data science, fraud detection, machine learning, supervised learning.

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Authors: Sajjad Ahmed, Knut Hinkelmann, Flavio Corradini

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Fake news detection research is still in the early stage as this is a relatively new phenomenon in the interest raised by society. Machine learning helps to solve complex problems and to build AI systems nowadays and especially in those cases where we have tacit knowledge or the knowledge that is not known. We used machine learning algorithms and for identification of fake news; we applied three classifiers; Passive Aggressive, Naïve Bayes, and Support Vector Machine. Simple classification is not completely correct in fake news detection because classification methods are not specialized for fake news. With the integration of machine learning and text-based processing, we can detect fake news and build classifiers that can classify the news data. Text classification mainly focuses on extracting various features of text and after that incorporating those features into classification. The big challenge in this area is the lack of an efficient way to differentiate between fake and non-fake due to the unavailability of corpora. We applied three different machine learning classifiers on two publicly available datasets. Experimental analysis based on the existing dataset indicates a very encouraging and improved performance.

Keywords: Fake news detection, types of fake news, machine learning, natural language processing, classification techniques.

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Authors: Cristina Vatamanu, Doina Cosovan, Dragoş Gavriluţ, Henri Luchian

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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.

Keywords: Detection Rate, False Positives, Perceptron, One Side Class, Ensembles, Decision Tree, Hybrid methods, Feature Selection.

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Authors: Matthias Kirmse, Uwe Petersohn, Elief Paffrath

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As in today's semiconductor industries test costs can make up to 50 percent of the total production costs, an efficient test error detection becomes more and more important. In this paper, we present a new machine learning approach to test error detection that should provide a faster recognition of test system faults as well as an improved test error recall. The key idea is to learn a classifier ensemble, detecting typical test error patterns in wafer test results immediately after finishing these tests. Since test error detection has not yet been discussed in the machine learning community, we define central problem-relevant terms and provide an analysis of important domain properties. Finally, we present comparative studies reflecting the failure detection performance of three individual classifiers and three ensemble methods based upon them. As base classifiers we chose a decision tree learner, a support vector machine and a Bayesian network, while the compared ensemble methods were simple and weighted majority vote as well as stacking. For the evaluation, we used cross validation and a specially designed practical simulation. By implementing our approach in a semiconductor test department for the observation of two products, we proofed its practical applicability.

Keywords: Ensemble methods, fault detection, machine learning, semiconductor test.

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Authors: Jan Stodt, Christoph Reich

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The usage of machine learning models for prediction is growing rapidly and proof that the intended requirements are met is essential. Audits are a proven method to determine whether requirements or guidelines are met. However, machine learning models have intrinsic characteristics, such as the quality of training data, that make it difficult to demonstrate the required behavior and make audits more challenging. This paper describes an ML audit framework that evaluates and reviews the risks of machine learning applications, the quality of the training data, and the machine learning model. We evaluate and demonstrate the functionality of the proposed framework by auditing an steel plate fault prediction model.

Keywords: Audit, machine learning, assessment, metrics.

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Authors: Mahtab Davari, Charles Edward Okon, Somayeh Aghanavesi

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Every institute of learning is usually interested in the performance of enrolled students. The level of these performances determines the approach an institute of study may adopt in rendering academic services. The focus of this paper is to evaluate students' academic performance in given courses of study using machine learning methods. This study evaluated various supervised machine learning classification algorithms such as Logistic Regression (LR), Support Vector Machine (SVM), Random Forest, Decision Tree, K-Nearest Neighbors, Linear Discriminant Analysis (LDA), and Quadratic Discriminant Analysis, using selected features to predict study performance. The accuracy, precision, recall, and F1 score obtained from a 5-Fold Cross-Validation were used to determine the best classification algorithm to predict students’ performances. SVM (using a linear kernel), LDA, and LR were identified as the best-performing machine learning methods. Also, using the LR model, this study identified students' educational habits such as reading and paying attention in class as strong determinants for a student to have an above-average performance. Other important features include the academic history of the student and work. Demographic factors such as age, gender, high school graduation, etc., had no significant effect on a student's performance.

Keywords: Student performance, supervised machine learning, prediction, classification, cross-validation.

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Authors: Yizhen Zhao, Adam S. Z. Belloum, Gonc¸alo Maia da Costa, Zhiming Zhao

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Machine learning has evolved from an area of academic research to a real-world applied field. This change comes with challenges, gaps and differences exist between common practices in academic environments and the ones in production environments. Following continuous integration, development and delivery practices in software engineering, similar trends have happened in machine learning (ML) systems, called MLOps. In this paper we propose a framework that helps to streamline and introduce best practices that facilitate the ML lifecycle in an industrial setting. This framework can be used as a template that can be customized to implement various machine learning experiments. The proposed framework is modular and can be recomposed to be adapted to various use cases (e.g. data versioning, remote training on Cloud). The framework inherits practices from DevOps and introduces other practices that are unique to the machine learning system (e.g.data versioning). Our MLOps practices automate the entire machine learning lifecycle, bridge the gap between development and operation.

Keywords: Cloud computing, continuous development, data versioning, DevOps, industrial setting, MLOps, machine learning.

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Authors: Alexander L. Pyayt, Ilya I. Mokhov, Bernhard Lang, Valeria V. Krzhizhanovskaya, Robert J. Meijer

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More and more natural disasters are happening every year: floods, earthquakes, volcanic eruptions, etc. In order to reduce the risk of possible damages, governments all around the world are investing into development of Early Warning Systems (EWS) for environmental applications. The most important task of the EWS is identification of the onset of critical situations affecting environment and population, early enough to inform the authorities and general public. This paper describes an approach for monitoring of flood protections systems based on machine learning methods. An Artificial Intelligence (AI) component has been developed for detection of abnormal dike behaviour. The AI module has been integrated into an EWS platform of the UrbanFlood project (EU Seventh Framework Programme) and validated on real-time measurements from the sensors installed in a dike.

Keywords: Early Warning System, intelligent environmentalmonitoring, machine learning, flood protection.

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Authors: Jie Liu, Xudong Luo, Pingping Lin, Yifan Fan

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Facebook, Twitter, Weibo, and other social media and significant e-commerce sites generate a massive amount of online texts, which can be used to analyse people’s opinions or sentiments for better decision-making. So, sentiment analysis, especially the fine-grained sentiment analysis, is a very active research topic. In this paper, we survey various methods for fine-grained sentiment analysis, including traditional sentiment lexicon-based methods, ma-chine learning-based methods, and deep learning-based methods in aspect/target/attribute-based sentiment analysis tasks. Besides, we discuss their advantages and problems worthy of careful studies in the future.

Keywords: sentiment analysis, fine-grained, machine learning, deep learning

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Authors: [email protected]

Abstract:

Breast cancer is one of the most common types in women. Early prediction of breast cancer helps physicians detect cancer in its early stages. Big cancer data need a very powerful tool to analyze and extract predictions. Machine learning and deep learning are two of the most efficient tools for predicting cancer based on textual data. In this study, we developed a fusion model of two machine learning and deep learning models. To obtain the final prediction, Long-Short Term Memory (LSTM), ensemble learning with hyper parameters optimization, and score-level fusion is used. Experiments are done on the Breast Cancer Surveillance Consortium (BCSC) dataset after balancing and grouping the class categories. Five different training scenarios are used, and the tests show that the designed fusion model improved the performance by 3.3% compared to the individual models.

Keywords: Machine learning, Deep learning, cancer prediction, breast cancer, LSTM, Score-Level Fusion.

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Authors: Seongjun Kim, Sanghoon Shim, Jinwooung Kim, Jaehwan Jung, Sung-Ah Kim

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As the development of information and communication technology, the convergence of machine learning of the ICT area and design is attempted. In this way, it is possible to grasp the correlation between various design elements, which was difficult to grasp, and to reflect this in the design result. In architecture, there is an attempt to predict the performance, which is difficult to grasp in the past, by finding the correlation among multiple factors mainly through machine learning. In architectural design area, some attempts to predict the performance affected by various factors have been tried. With machine learning, it is possible to quickly predict performance. The aim of this study is to propose a model that predicts performance according to the block arrangement of apartment housing through machine learning and the design alternative which satisfies the performance such as the daylight hours in the most similar form to the alternative proposed by the designer. Through this study, a designer can proceed with the design considering various design alternatives and accurate performances quickly from the early design stage.

Keywords: Apartment housing, machine learning, multi-objective optimization, performance prediction.

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Authors: Vincenzo Capalbo, Gianpaolo Ghiani, Emanuele Manni

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Global e-commerce sales have reached unprecedented levels in the past few years. As this trend is only predicted to go up as we continue into the ’20s, new challenges will be faced by companies when planning and controlling e-commerce logistics. In this paper, we survey the related literature on Optimization and Machine Learning as well as on combined methodologies. We also identify the distinctive features of next-generation planning algorithms - namely scalability, model-and-run features and learning capabilities - that will be fundamental to cope with the scale and complexity of logistics in the next decade.

Keywords: e-Commerce, Logistics, Machine Learning, Optimization.

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Authors: S. Sowmyayani

Abstract:

The advancement of computer-aided design helps the medical force and security force. Some applications include biometric recognition, elderly fall detection, face recognition, cancer recognition, tumor recognition, etc. This paper deals with different machine learning algorithms that are more generically used for any health care system. The most focused problems are classification and regression. With the rise of big data, machine learning has become particularly important for solving problems. Machine learning uses two types of techniques: supervised learning and unsupervised learning. The former trains a model on known input and output data and predicts future outputs. Classification and regression are supervised learning techniques. Unsupervised learning finds hidden patterns in input data. Clustering is one such unsupervised learning technique. The above-mentioned models are discussed briefly in this paper.

Keywords: Supervised learning, unsupervised learning, regression, neural network.

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Authors: Nicholas Milburn, Yu Liang, Dalei Wu

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Athlete performance scoring within the climbing domain presents interesting challenges as the sport does not have an objective way to assign skill. Assessing skill levels within any sport is valuable as it can be used to mark progress while training, and it can help an athlete choose appropriate climbs to attempt. Machine learning-based methods are popular for complex problems like this. The dataset available was composed of dynamic force data recorded during climbing; however, this dataset came with challenges such as data scarcity, imbalance, and it was temporally heterogeneous. Investigated solutions to these challenges include data augmentation, temporal normalization, conversion of time series to the spectral domain, and cross validation strategies. The investigated solutions to the classification problem included light weight machine classifiers KNN and SVM as well as the deep learning with CNN. The best performing model had an 80% accuracy. In conclusion, there seems to be enough information within climbing force data to accurately categorize climbers by skill.

Keywords: Classification, climbing, data imbalance, data scarcity, machine learning, time sequence.

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Authors: Saeed Mohammed Baneamoon, Rosalina Abdul Salam, Abdullah Zawawi Hj. Talib

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Designing a simulated system and training it to optimize its tasks in simulated environment helps the designers to avoid problems that may appear when designing the system directly in real world. These problems are: time consuming, high cost, high errors percentage and low efficiency and accuracy of the system. The proposed system will investigate and improve the efficiency and accuracy of a simulated robot to choose correct behavior to perform its task. In this paper, machine learning, which uses genetic algorithm, is adopted. This type of machine learning is called genetic-based machine learning in which a distributed classifier system is used to improve the efficiency and accuracy of the robot. Consequently, it helps the robot to achieve optimal action.

Keywords: Machine Learning, Genetic-Based MachineLearning, Learning Classifier System, Behaviors.

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Authors: Talal Alshammari, Nasser Alshammari, Mohamed Sedky, Chris Howard

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With the widespread adoption of the Internet-connected devices, and with the prevalence of the Internet of Things (IoT) applications, there is an increased interest in machine learning techniques that can provide useful and interesting services in the smart home domain. The areas that machine learning techniques can help advance are varied and ever-evolving. Classifying smart home inhabitants’ Activities of Daily Living (ADLs), is one prominent example. The ability of machine learning technique to find meaningful spatio-temporal relations of high-dimensional data is an important requirement as well. This paper presents a comparative evaluation of state-of-the-art machine learning techniques to classify ADLs in the smart home domain. Forty-two synthetic datasets and two real-world datasets with multiple inhabitants are used to evaluate and compare the performance of the identified machine learning techniques. Our results show significant performance differences between the evaluated techniques. Such as AdaBoost, Cortical Learning Algorithm (CLA), Decision Trees, Hidden Markov Model (HMM), Multi-layer Perceptron (MLP), Structured Perceptron and Support Vector Machines (SVM). Overall, neural network based techniques have shown superiority over the other tested techniques.

Keywords: Activities of daily living, classification, internet of things, machine learning, smart home.

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Authors: Htay Htay Yi, Zin May Aye

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Network security is role of the ICT environment because malicious users are continually growing that realm of education, business, and then related with ICT. The network security contravention is typically described and examined centrally based on a security event management system. The firewalls, Intrusion Detection System (IDS), and Intrusion Prevention System are becoming essential to monitor or prevent of potential violations, incidents attack, and imminent threats. In this system, the firewall rules are set only for where the system policies are needed. Dataset deployed in this system are derived from the testbed environment. The traffic as in DoS and PortScan traffics are applied in the testbed with firewall and IDS implementation. The network traffics are classified as normal or attacks in the existing testbed environment based on six machine learning classification methods applied in the system. It is required to be tested to get datasets and applied for DoS and PortScan. The dataset is based on CICIDS2017 and some features have been added. This system tested 26 features from the applied dataset. The system is to reduce false positive rates and to improve accuracy in the implemented testbed design. The system also proves good performance by selecting important features and comparing existing a dataset by machine learning classifiers.

Keywords: False negative rate, intrusion detection system, machine learning methods, performance.

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Authors: Çiğdem Bakır, Mecit Yüzkat

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With the increasing emphasis on water quality worldwide, the search for and expanding the market for new and intelligent monitoring systems has increased. The current method is the laboratory process, where samples are taken from bodies of water, and tests are carried out in laboratories. This method is time-consuming, a waste of manpower and uneconomical. To solve this problem, we used machine learning methods to detect water pollution in our study. We created decision trees with the Orange3 software used in the study and tried to determine all the factors that cause water pollution. An automatic prediction model based on water quality was developed by taking many model inputs such as water temperature, pH, transparency, conductivity, dissolved oxygen, and ammonia nitrogen with machine learning methods. The proposed approach consists of three stages: Preprocessing of the data used, feature detection and classification. We tried to determine the success of our study with different accuracy metrics and the results were presented comparatively. In addition, we achieved approximately 98% success with the decision tree.

Keywords: Decision tree, water quality, water pollution, machine learning.

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Authors: Phanu Waraporn

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This paper discusses the designing of knowledge integration of clinical information extracted from distributed medical ontologies in order to ameliorate a machine learning-based multilabel coding assignment system. The proposed approach is implemented using a decision tree technique of the machine learning on the university hospital data for patients with Coronary Heart Disease (CHD). The preliminary results obtained show a satisfactory finding that the use of medical ontologies improves the overall system performance.

Keywords: Medical Ontology, Knowledge Integration, Machine Learning, Medical Coding, Text Assignment.

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Authors: Engin Eyceyurt, Josko Zec

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The current and future cellular mobile communication networks generate enormous amounts of data. Networks have become extremely complex with extensive space of parameters, features and counters. These networks are unmanageable with legacy methods and an enhanced design and optimization approach is necessary that is increasingly reliant on machine learning. This paper proposes that machine learning as a viable approach for uplink throughput prediction. LTE radio metric, such as Reference Signal Received Power (RSRP), Reference Signal Received Quality (RSRQ), and Signal to Noise Ratio (SNR) are used to train models to estimate expected uplink throughput. The prediction accuracy with high determination coefficient of 91.2% is obtained from measurements collected with a simple smartphone application.

Keywords: Drive test, LTE, machine learning, uplink throughput prediction.

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Authors: Shuen-Tai Wang, Fang-An Kuo, Chau-Yi Chou, Yu-Bin Fang

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2016 has become the year of the Artificial Intelligence explosion. AI technologies are getting more and more matured that most world well-known tech giants are making large investment to increase the capabilities in AI. Machine learning is the science of getting computers to act without being explicitly programmed, and deep learning is a subset of machine learning that uses deep neural network to train a machine to learn  features directly from data. Deep learning realizes many machine learning applications which expand the field of AI. At the present time, deep learning frameworks have been widely deployed on servers for deep learning applications in both academia and industry. In training deep neural networks, there are many standard processes or algorithms, but the performance of different frameworks might be different. In this paper we evaluate the running performance of two state-of-the-art distributed deep learning frameworks that are running training calculation in parallel over multi GPU and multi nodes in our cloud environment. We evaluate the training performance of the frameworks with ResNet-50 convolutional neural network, and we analyze what factors that result in the performance among both distributed frameworks as well. Through the experimental analysis, we identify the overheads which could be further optimized. The main contribution is that the evaluation results provide further optimization directions in both performance tuning and algorithmic design.

Keywords: Artificial Intelligence, machine learning, deep learning, convolutional neural networks.

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Authors: Najmeh Abedzadeh, Matthew Jacobs

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An intrusion detection system (IDS) is a software application that monitors malicious activities and generates alerts if any are detected. However, most network activities in IDS datasets are normal, and the relatively few numbers of attacks make the available data imbalanced. Consequently, cyber-attacks can hide inside a large number of normal activities, and machine learning algorithms have difficulty learning and classifying the data correctly. In this paper, a comprehensive literature review is conducted on different types of algorithms for both implementing the IDS and methods in correcting the imbalanced IDS dataset. The most famous algorithms are machine learning (ML), deep learning (DL), synthetic minority over-sampling technique (SMOTE), and reinforcement learning (RL). Most of the research use the CSE-CIC-IDS2017, CSE-CIC-IDS2018, and NSL-KDD datasets for evaluating their algorithms.

Keywords: IDS, intrusion detection system, imbalanced datasets, sampling algorithms, big data.

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Authors: Djamila Benhaddouche, Abdelkader Benyettou

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In this paper, we used data mining to extract biomedical knowledge. In general, complex biomedical data collected in studies of populations are treated by statistical methods, although they are robust, they are not sufficient in themselves to harness the potential wealth of data. For that you used in step two learning algorithms: the Decision Trees and Support Vector Machine (SVM). These supervised classification methods are used to make the diagnosis of thyroid disease. In this context, we propose to promote the study and use of symbolic data mining techniques.

Keywords: A classifier, Algorithms decision tree, knowledge extraction, Support Vector Machine.

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Authors: Yifan Fan, Xudong Luo, Pingping Lin

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An essential task in the field of artificial intelligence is to allow computers to interact with people through natural language. Therefore, researches such as virtual assistants and dialogue systems have received widespread attention from industry and academia. The response generation plays a crucial role in dialogue systems, so to push forward the research on this topic, this paper surveys various methods for response generation. We sort out these methods into three categories. First one includes finite state machine methods, framework methods, and instance methods. The second contains full-text indexing methods, ontology methods, vast knowledge base method, and some other methods. The third covers retrieval methods and generative methods. We also discuss some hybrid methods based knowledge and deep learning. We compare their disadvantages and advantages and point out in which ways these studies can be improved further. Our discussion covers some studies published in leading conferences such as IJCAI and AAAI in recent years.

Keywords: Retrieval, generative, deep learning, response generation, knowledge.

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Authors: Anita Khadka, Gregory Epiphaniou, Carsten Maple

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There is a dramatic surge in the adoption of Machine Learning (ML) techniques in many areas, including the nuclear industry (such as fault diagnosis and fuel management in nuclear power plants), autonomous systems (including self-driving vehicles), space systems (space debris recovery, for example), medical surgery, network intrusion detection, malware detection, to name a few. Artificial Intelligence (AI) has become a part of everyday modern human life. To date, the predominant focus has been developing underpinning ML algorithms that can improve accuracy, while factors such as resiliency and robustness of algorithms have been largely overlooked. If an adversarial attack is able to compromise the learning method or data, the consequences can be fatal, especially but not exclusively in safety-critical applications. In this paper, we present an in-depth analysis of five adversarial attacks and two defence methods on a crack detection ML model. Our analysis shows that it can be dangerous to adopt ML techniques without rigorous testing, since they may be vulnerable to adversarial attacks, especially in security-critical areas such as the nuclear industry. We observed that while the adopted defence methods can effectively defend against different attacks, none of them could protect against all five adversarial attacks entirely.

Keywords: Resilient Machine Learning, attacks, defences, nuclear industry, crack detection.

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Authors: Jeff Clarine, Chang-Shyh Peng, Daisy Sang

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Bioassay is the measurement of the potency of a chemical substance by its effect on a living animal or plant tissue. Bioassay data and chemical structures from pharmacokinetic and drug metabolism screening are mined from and housed in multiple databases. Bioassay prediction is calculated accordingly to determine further advancement. This paper proposes a four-step preprocessing of datasets for improving the bioassay predictions. The first step is instance selection in which dataset is categorized into training, testing, and validation sets. The second step is discretization that partitions the data in consideration of accuracy vs. precision. The third step is normalization where data are normalized between 0 and 1 for subsequent machine learning processing. The fourth step is feature selection where key chemical properties and attributes are generated. The streamlined results are then analyzed for the prediction of effectiveness by various machine learning algorithms including Pipeline Pilot, R, Weka, and Excel. Experiments and evaluations reveal the effectiveness of various combination of preprocessing steps and machine learning algorithms in more consistent and accurate prediction.

Keywords: Bioassay, machine learning, preprocessing, virtual screen.

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