• Title/Summary/Keyword: neural network.

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Predicting antioxidant activity of compounds based on chemical structure using machine learning methods

  • Jinwoo Jung;Jeon-Ok Moon;Song Ih Ahn;Haeseung Lee
    • The Korean Journal of Physiology and Pharmacology
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    • v.28 no.6
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    • pp.527-537
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    • 2024
  • Oxidative stress is a well-established risk factor for numerous chronic diseases, emphasizing the need for efficient identification of potent antioxidants. Conventional methods for assessing antioxidant properties are often time-consuming and resource-intensive, typically relying on laborious biochemical assays. In this study, we investigated the applicability of machine learning (ML) algorithms for predicting the antioxidant activity of compounds based solely on their molecular structure. We evaluated the performance of five ML algorithms, Support Vector Machine (SVM), Logistic Regression (LR), XGBoost, Random Forest (RF), and Deep Neural Network (DNN), using a dataset of over 1,900 compounds with experimentally determined antioxidant activity. Both RF and SVM achieved the best overall performance, exhibiting high accuracy (> 0.9) and effectively distinguishing active and inactive compounds with high structural similarity. External validation using natural product data from the BATMAN database confirmed the generalizability of the RF and SVM models. Our results suggest that ML models serve as powerful tools to expedite the discovery of novel antioxidant candidates, potentially streamlining the development of future therapeutic interventions.

SMOTE-ADNet Leveraging Enhanced CNN and SMOTE for Accurate Classification of Alzheimer's Disease and Early Stages (SMOTE-ADNet: 향상된 CNN 과SMOTE 를 활용한 알츠하이머병 및 초기 단계 정확한 분류)

  • Sun Xiaoying;Hyunseung Choo
    • Annual Conference of KIPS
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    • 2024.10a
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    • pp.748-751
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    • 2024
  • Alzheimer's disease (AD) is a progressive neurodegenerative disorder characterized by gradual cognitive decline and memory loss, with subtle changes in brain structure that make accurate classification particularly challenging. This study presents SMOTE-ADNet, an innovative Convolutional Neural Network (CNN) model designed to enhance classification performance for Alzheimer's disease by integrating advanced CNN techniques with the Synthetic Minority Over-sampling Technique (SMOTE). The SMOTE-ADNet architecture includes multiple convolutional layers, dropout regularization, and a final dense layer optimized for multi-class classification, aimed at differentiating between five stages of Alzheimer's disease: Alzheimer's disease (AD), Cognitive Normal (CN), Early Mild Cognitive Impairment (EMCI), Late Mild Cognitive Impairment (LMCI), and Mild Cognitive Impairment (MCI). Given the challenge of distinguishing between subtle variations in brain structure during these stages, SMOTE-ADNet effectively balances the dataset using SMOTE and leverages advanced CNN layers to achieve a remarkable accuracy of 98%. This result demonstrates the model's capability to manage the inherent difficulty of classifying subtle structural differences and its potential for improving diagnostic precision and aiding early intervention in Alzheimer's disease.

Identifying the Key Success Factors of Massively Multiplayer Online Role Playing Game Design using Artificial Neural Networks (인공신경망을 이용한 MMORPG 설계의 핵심성공요인 식별)

  • Jung, Hoi-Il;Park, Il-Soon;Ahn, Hyun-Chul
    • The Journal of Society for e-Business Studies
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    • v.17 no.1
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    • pp.23-38
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    • 2012
  • Massive Multiplayer Online Role Playing Games(MMORPGs) headed by some Korean game companies such as NC Soft, NHN, and Nexon have exploded in recent years. However, it becomes one of the major challenges for the MMORPG developers to design their games to appeal to gamers since only a few MMORPGs succeed whereas they require a huge amount of initial investment. Under this background, our study derives the major elements for designing MMORPG from the literature, and identifies the ones critical to the users' satisfaction and their willingness to pay among the derived elements. Though most previous studies on the design elements of MMORPG have used analytic hierarchy process(AHP), our study adopts artificial neural network(ANN) as the tool for identifying key success factors in designing MMORPG. The results of our study show that the elements of the game contents quality have a bigger effect on the user's satisfaction, whereas the ones of the value-added systems have a bigger effect on the user's willingness to pay. They also show that user interface affects both the user's satisfaction and willingness to pay most. These results imply that the strategies for the development of MMORPG should be aligned with its goal and market penetration strategy. They also imply that the satisfaction and revenue generation from MMORPG cannot be achieved without convenient and easy control environment. It is expected that the new findings of our study would be useful forthe developers or publishers of MMORPGs to build their own business strategies.

Increasing Accuracy of Stock Price Pattern Prediction through Data Augmentation for Deep Learning (데이터 증강을 통한 딥러닝 기반 주가 패턴 예측 정확도 향상 방안)

  • Kim, Youngjun;Kim, Yeojeong;Lee, Insun;Lee, Hong Joo
    • The Journal of Bigdata
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    • v.4 no.2
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    • pp.1-12
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    • 2019
  • As Artificial Intelligence (AI) technology develops, it is applied to various fields such as image, voice, and text. AI has shown fine results in certain areas. Researchers have tried to predict the stock market by utilizing artificial intelligence as well. Predicting the stock market is known as one of the difficult problems since the stock market is affected by various factors such as economy and politics. In the field of AI, there are attempts to predict the ups and downs of stock price by studying stock price patterns using various machine learning techniques. This study suggest a way of predicting stock price patterns based on the Convolutional Neural Network(CNN) among machine learning techniques. CNN uses neural networks to classify images by extracting features from images through convolutional layers. Therefore, this study tries to classify candlestick images made by stock data in order to predict patterns. This study has two objectives. The first one referred as Case 1 is to predict the patterns with the images made by the same-day stock price data. The second one referred as Case 2 is to predict the next day stock price patterns with the images produced by the daily stock price data. In Case 1, data augmentation methods - random modification and Gaussian noise - are applied to generate more training data, and the generated images are put into the model to fit. Given that deep learning requires a large amount of data, this study suggests a method of data augmentation for candlestick images. Also, this study compares the accuracies of the images with Gaussian noise and different classification problems. All data in this study is collected through OpenAPI provided by DaiShin Securities. Case 1 has five different labels depending on patterns. The patterns are up with up closing, up with down closing, down with up closing, down with down closing, and staying. The images in Case 1 are created by removing the last candle(-1candle), the last two candles(-2candles), and the last three candles(-3candles) from 60 minutes, 30 minutes, 10 minutes, and 5 minutes candle charts. 60 minutes candle chart means one candle in the image has 60 minutes of information containing an open price, high price, low price, close price. Case 2 has two labels that are up and down. This study for Case 2 has generated for 60 minutes, 30 minutes, 10 minutes, and 5minutes candle charts without removing any candle. Considering the stock data, moving the candles in the images is suggested, instead of existing data augmentation techniques. How much the candles are moved is defined as the modified value. The average difference of closing prices between candles was 0.0029. Therefore, in this study, 0.003, 0.002, 0.001, 0.00025 are used for the modified value. The number of images was doubled after data augmentation. When it comes to Gaussian Noise, the mean value was 0, and the value of variance was 0.01. For both Case 1 and Case 2, the model is based on VGG-Net16 that has 16 layers. As a result, 10 minutes -1candle showed the best accuracy among 60 minutes, 30 minutes, 10 minutes, 5minutes candle charts. Thus, 10 minutes images were utilized for the rest of the experiment in Case 1. The three candles removed from the images were selected for data augmentation and application of Gaussian noise. 10 minutes -3candle resulted in 79.72% accuracy. The accuracy of the images with 0.00025 modified value and 100% changed candles was 79.92%. Applying Gaussian noise helped the accuracy to be 80.98%. According to the outcomes of Case 2, 60minutes candle charts could predict patterns of tomorrow by 82.60%. To sum up, this study is expected to contribute to further studies on the prediction of stock price patterns using images. This research provides a possible method for data augmentation of stock data.

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A Study on Predictive Traffic Control Algorithms for ABR Services (ABR 서비스를 위한 트래픽 예측 제어 알고리즘 연구)

  • 오창윤;장봉석
    • Journal of Internet Computing and Services
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    • v.1 no.2
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    • pp.29-37
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    • 2000
  • Asynchronous transfer mode is flexible to support multimedia communication services using asynchronous time-sharing and statistical multimedia techniques to the existing data communication area, ATM ABR service controls network traffic using feedback information on the network congestion situation in order to guarantee the demanded service qualities and the available cell rates, In this paper we apply the control method using queue length prediction to the formation of feedback information for more efficient ABR traffic control. If backward node receive the longer delayed feedback information on the impending congestion, the switch can be already congested from the uncontrolled arriving traffic and the fluctuation of queue length can be inefficiently high in the continuing time intervals, The feedback control method proposed in this paper predicts the queue length in the switch using the slope of queue length prediction function and queue length changes in time-series, The predicted congestion information is backward to the node, NLMS and neural network are used as the predictive control functions, and they are compared from performance on the queue length prediction. Simulation results show the efficiency of the proposed method compared to the feedback control method without the prediction, Therefore, we conclude that the efficient congestion and stability of the queue length controls are possible using the prediction scheme that can resolve the problems caused from the longer delays of the feedback information.

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A Study on Mine Ventilation Network (광산 통기 네트워크 연구)

  • Kim, Soo Hong;Kim, Yun Kwang;Kim, Sun Myung;Jang, Yun Ho
    • Tunnel and Underground Space
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    • v.27 no.4
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    • pp.217-229
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    • 2017
  • This study focuses on the improvement of the working environment in domestic collieries where temperature is increasing due to heat of the earth that is caused by the long-term mining. In order to improve the working environment of the mine, a ventilation evaluation was carried out for Hwasoon Mining Industry. In order to increase the ventilation efficiency of the mine, numerical analysis of the effect on temperature was carried out by using climsim, a temperature prediction program. The analysis shows that A coal mine needs $6,152m^3/min$ for in-flow ventilation rate but the total input air flowrate is $4,710m^3/min$, $1,442m^3/min$ of in-flow ventilation rate shortage. The 93 m hypothetical ventilation shaft from -395 ML to -488 ML could result about $3^{\circ}C$ temperature drop in the coal mine of -488 ML far. As a result of predicting the $CO_2$ concentration at -523 ML development using artificial neural network, the emission of $CO_2$ increased as the amount of coal and coal bed thickness increased. The factors that have the greatest effect on the amount of $CO_2$ emissions were coal layer thickness and coal mining. And, as the air quantity increases, it has a great effect on the decrease of carbon dioxide concentration.

A Study on Link Travel Time Prediction by Short Term Simulation Based on CA (CA모형을 이용한 단기 구간통행시간 예측에 관한 연구)

  • 이승재;장현호
    • Journal of Korean Society of Transportation
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    • v.21 no.1
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    • pp.91-102
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    • 2003
  • There are two goals in this paper. The one is development of existing CA(Cellular Automata) model to explain more realistic deceleration process to stop. The other is the application of the updated CA model to forecasting simulation to predict short term link travel time that takes a key rule in finding the shortest path of route guidance system of ITS. Car following theory of CA models don't makes not response to leading vehicle's velocity but gap or distance between leading vehicles and following vehicles. So a following vehicle running at free flow speed must meet steeply sudden deceleration to avoid back collision within unrealistic braking distance. To tackle above unrealistic deceleration rule, “Slow-to-stop” rule is integrated into NaSch model. For application to interrupted traffic flow, this paper applies “Slow-to-stop” rule to both normal traffic light and random traffic light. And vehicle packet method is used to simulate a large-scale network on the desktop. Generally, time series data analysis methods such as neural network, ARIMA, and Kalman filtering are used for short term link travel time prediction that is crucial to find an optimal dynamic shortest path. But those methods have time-lag problems and are hard to capture traffic flow mechanism such as spill over and spill back etc. To address above problems. the CA model built in this study is used for forecasting simulation to predict short term link travel time in Kangnam district network And it's turned out that short term prediction simulation method generates novel results, taking a crack of time lag problems and considering interrupted traffic flow mechanism.

Predicting Stock Liquidity by Using Ensemble Data Mining Methods

  • Bae, Eun Chan;Lee, Kun Chang
    • Journal of the Korea Society of Computer and Information
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    • v.21 no.6
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    • pp.9-19
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    • 2016
  • In finance literature, stock liquidity showing how stocks can be cashed out in the market has received rich attentions from both academicians and practitioners. The reasons are plenty. First, it is known that stock liquidity affects significantly asset pricing. Second, macroeconomic announcements influence liquidity in the stock market. Therefore, stock liquidity itself affects investors' decision and managers' decision as well. Though there exist a great deal of literature about stock liquidity in finance literature, it is quite clear that there are no studies attempting to investigate the stock liquidity issue as one of decision making problems. In finance literature, most of stock liquidity studies had dealt with limited views such as how much it influences stock price, which variables are associated with describing the stock liquidity significantly, etc. However, this paper posits that stock liquidity issue may become a serious decision-making problem, and then be handled by using data mining techniques to estimate its future extent with statistical validity. In this sense, we collected financial data set from a number of manufacturing companies listed in KRX (Korea Exchange) during the period of 2010 to 2013. The reason why we selected dataset from 2010 was to avoid the after-shocks of financial crisis that occurred in 2008. We used Fn-GuidPro system to gather total 5,700 financial data set. Stock liquidity measure was computed by the procedures proposed by Amihud (2002) which is known to show best metrics for showing relationship with daily return. We applied five data mining techniques (or classifiers) such as Bayesian network, support vector machine (SVM), decision tree, neural network, and ensemble method. Bayesian networks include GBN (General Bayesian Network), NBN (Naive BN), TAN (Tree Augmented NBN). Decision tree uses CART and C4.5. Regression result was used as a benchmarking performance. Ensemble method uses two types-integration of two classifiers, and three classifiers. Ensemble method is based on voting for the sake of integrating classifiers. Among the single classifiers, CART showed best performance with 48.2%, compared with 37.18% by regression. Among the ensemble methods, the result from integrating TAN, CART, and SVM was best with 49.25%. Through the additional analysis in individual industries, those relatively stabilized industries like electronic appliances, wholesale & retailing, woods, leather-bags-shoes showed better performance over 50%.

Analysis of Automatic Meter Reading Systems (IBM, Oracle, and Itron) (국외 상수도 원격검침 시스템(IBM, Oracle, Itron) 분석)

  • Joo, Jin Chul;Kim, Juhwan;Lee, Doojin;Choi, Taeho;Kim, Jong Kyu
    • Proceedings of the Korea Water Resources Association Conference
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    • 2017.05a
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    • pp.264-264
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    • 2017
  • 국외의 상수도 원격검침 시스템 내 데이터 전송방식은 도시 규모, 계량기의 밀도, 전력공급 여부 및 통신망의 설치 여부 등을 종합적으로 고려하여 결정되었다. 대부분의 스마트워터미터 제조업체들은 계량기의 부호기가 공급하는 판독 내용(데이터)을 전송할 검침단말기와 근거리 통신망(neighborhood area network)을 연계하여 개발 및 판매하였으며, 자체 소유 통신 프로토콜을 사용하여 라디오 주파수(RF) 통신 기술을 사용하고 있다. 광역통신망(wide area network)의 경우, 노드(말단의 계량기 및 센서)들과 이에 연결된 통신망 들을 포함한 네트웍의 배열이나 구성이 스타(star), 메쉬(mesh), 버스(bus), 나무(tree) 등의 형태로 통신망이 구성되어 있으나, 스타와 메쉬형 통신망 구성형태가 가장 널리 활용되는 것으로 조사되었다. 시스템 통합운영관리 업체들인 IBM, Oracle, Itron 등은 용수 인프라 관리 또는 통합네트워크 솔루션 등의 통합 물관리 시스템(integrated water management system)을 개발하여 현장적용을 하고 있으며, 원격검침 시스템을 통해 고객들의 현재 소비량과 과거 누적 소비량, 누수 감지 서비스 및 실시간 요금 고지 등을 실시간으로 웹 포털과 앱을 통해 제공하고 있다. 또한, 일부 제조업체들은 도시 용수공급/소비 관리자가 주민의 용수사용량을 모니터링하여 일평균 용수사용량 및 사용 경향을 파악하고, 누수를 검지하여 복구 및 용수 사용 지속가능성 지수를 제시하고, 실시간으로 주민의 용수사용량 관련 데이터를 모니터링하여 용수공급의 최적화를 위한 의사결정지원 서비스를 용수공급자에게 제공하고 있다. 최근에는 인공지능을 활용해 가정용수의 용도별(세탁용수, 화장실용수, 샤워용수, 식기세척용수 등) 사용량 곡선을 패터닝하여 profiling 기법을 도입해, 스마트워터미터에서 용수사용량이 통합되어 검지될 시 용수사용량의 세부 용도별 re-profiling 기법을 도입하여 가정용수내 과소비되는 지점을 도출 후 절감을 유도하는 기술이 개발 중이다. 또한, 미래 용수 사용량 예측을 위해 다양한 시계열 자료를 분석하는 선형 종속 모형(자기회귀모형, 자기회귀이동평균모형, 자기회귀적분이동평균모형 등)과 비선형 종속 모형(Fuzzy Logic, Neural Network, Genetic Algorithm 등)을 활용한 예측기능이 구축되어 상호 비교하여 최적의 용수사용량 예측 도구를 제공되고 있다.

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Machine Scheduling Models Based on Reinforcement Learning for Minimizing Due Date Violation and Setup Change (납기 위반 및 셋업 최소화를 위한 강화학습 기반의 설비 일정계획 모델)

  • Yoo, Woosik;Seo, Juhyeok;Kim, Dahee;Kim, Kwanho
    • The Journal of Society for e-Business Studies
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    • v.24 no.3
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    • pp.19-33
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    • 2019
  • Recently, manufacturers have been struggling to efficiently use production equipment as their production methods become more sophisticated and complex. Typical factors hindering the efficiency of the manufacturing process include setup cost due to job change. Especially, in the process of using expensive production equipment such as semiconductor / LCD process, efficient use of equipment is very important. Balancing the tradeoff between meeting the deadline and minimizing setup cost incurred by changes of work type is crucial planning task. In this study, we developed a scheduling model to achieve the goal of minimizing the duedate and setup costs by using reinforcement learning in parallel machines with duedate and work preparation costs. The proposed model is a Deep Q-Network (DQN) scheduling model and is a reinforcement learning-based model. To validate the effectiveness of our proposed model, we compared it against the heuristic model and DNN(deep neural network) based model. It was confirmed that our proposed DQN method causes less due date violation and setup costs than the benchmark methods.