• 제목/요약/키워드: Multiple Linear Regression (MLR)

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Is it Possible to Predict the ADI of Pesticides using the QSAR Approach?

  • Kim, Jae Hyoun
    • 한국환경보건학회지
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    • 제38권6호
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    • pp.550-560
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    • 2012
  • Objectives: QSAR methodology was applied to explain two different sets of acceptable daily intake (ADI) data of 74 pesticides proposed by both the USEPA and WHO in terms of setting guidelines for food and drinking water. Methods: A subset of calculated descriptors was selected from Dragon$^{(R)}$ software. QSARs were then developed utilizing a statistical technique, genetic algorithm-multiple linear regression (GA-MLR). The differences in each specific model in the prediction of the ADI of the pesticides were discussed. Results: The stepwise multiple linear regression analysis resulted in a statistically significant QSAR model with five descriptors. Resultant QSAR models were robust, showing good utility across multiple classes of pesticide compounds. The applicability domain was also defined. The proposed models were robust and satisfactory. Conclusions: The QSAR model could be a feasible and effective tool for predicting ADI and for the comparison of logADIEPA to logADIWHO. The statistical results agree with the fact that USEPA focuses on more subtle endpoints than does WHO.

증발접시 증발량자료를 이용한 공기동력학적 증발량 산정 방법의 적용성 평가 (Applicability evaluation of aerodynamic approaches for evaporation estimation using pan evaporation data)

  • 임창수
    • 한국수자원학회논문집
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    • 제50권11호
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    • pp.781-793
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    • 2017
  • 본 연구에서는 우리나라 56개 연구지역에 대해서 증발량 산정방법 중에 하나인 공기동력학적 방법의 적용성을 검토하였다. 이를 위해 과거 연구자들에 의해서 제안된 공기동력학적 증발량 산정식들을 7가지 형식으로 구분하고 일반화하여 증발량 산정모델을 유도하였다. 또한, 공기동력학적 방법 적용에 필요한 기상요소자료들(풍속, 포화미흡량, 기온, 대기압)을 이용하여 4가지의 다변량 선형회귀모델을 유도하고 그 적용성을 검토하였다. 기상자료들의 자기상관의 영향을 고려하기 위해 변수들을 차분시켜 회귀분석을 실시하고 자기상관을 고려하지 않은 경우와 비교한 결과 결정계수 값에 큰 차이가 없음을 확인하였다. 연구결과에 의하면 공기동력학적 모델이나 다변량 선형회귀모델 모두에서 산정된 월 증발량과 관측된 월 증발량 사이에 매우 높은 상관성이 있는 것으로 나타났다. 하지만 대부분의 증발량 산정모델에서 8, 9, 10, 11, 12월에 증발량을 과다 산정하고 있는 것으로 나타났다. 다변량 선형회귀모델들에 사용된 기상요소자료들은 모두 증발량 산정에 유의한 영향력이 있는 것으로 나타났으며, 특히 포화 미흡량이 가장 중요한 기상요소이며, 두 번째로는 기온, 세 번째로는 풍속, 그리고 마지막으로 대기압인 것으로 나타났다.

Prediction of retention of uncharged solutes in nanofiltration by means of molecular descriptors

  • Nowaczyk, Alicja;Nowaczyk, Jacek;Koter, Stanislaw
    • Membrane and Water Treatment
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    • 제1권3호
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    • pp.181-192
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    • 2010
  • A linear quantitative structure-property relationship (QSPR) model is presented for the prediction of rejection in permeation through membrane. The model was produced by using the multiple linear regression (MLR) technique on the database consisting of retention data of 25 pesticides in 4 different membrane separation experiments. Among the 3224 different physicochemical, topological and structural descriptors that were considered as inputs to the model only 50 were selected using several criteria of elimination. The physical meaning of chosen descriptor is discussed in detail. The accuracy of the proposed MLR models is illustrated using the following evaluation techniques: leave-one-out cross validation procedure, leave-many-out cross validation procedure and Y-randomization.

Yield Prediction of Chinese Cabbage (Brassicaceae) Using Broadband Multispectral Imagery Mounted Unmanned Aerial System in the Air and Narrowband Hyperspectral Imagery on the Ground

  • Kang, Ye Seong;Ryu, Chan Seok;Kim, Seong Heon;Jun, Sae Rom;Jang, Si Hyeong;Park, Jun Woo;Sarkar, Tapash Kumar;Song, Hye young
    • Journal of Biosystems Engineering
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    • 제43권2호
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    • pp.138-147
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    • 2018
  • Purpose: A narrowband hyperspectral imaging sensor of high-dimensional spectral bands is advantageous for identifying the reflectance by selecting the significant spectral bands for predicting crop yield over the broadband multispectral imaging sensor for each wavelength range of the crop canopy. The images acquired by each imaging sensor were used to develop the models for predicting the Chinese cabbage yield. Methods: The models for predicting the Chinese cabbage (Brassica campestris L.) yield, with multispectral images based on unmanned aerial vehicle (UAV), were developed by simple linear regression (SLR) using vegetation indices, and forward stepwise multiple linear regression (MLR) using four spectral bands. The model with hyperspectral images based on the ground were developed using forward stepwise MLR from the significant spectral bands selected by dimension reduction methods based on a partial least squares regression (PLSR) model of high precision and accuracy. Results: The SLR model by the multispectral image cannot predict the yield well because of its low sensitivity in high fresh weight. Despite improved sensitivity in high fresh weight of the MLR model, its precision and accuracy was unsuitable for predicting the yield as its $R^2$ is 0.697, root-mean-square error (RMSE) is 1170 g/plant, relative error (RE) is 67.1%. When selecting the significant spectral bands for predicting the yield using hyperspectral images, the MLR model using four spectral bands show high precision and accuracy, with 0.891 for $R^2$, 616 g/plant for the RMSE, and 35.3% for the RE. Conclusions: Little difference was observed in the precision and accuracy of the PLSR model of 0.896 for $R^2$, 576.7 g/plant for the RMSE, and 33.1% for the RE, compared with the MLR model. If the multispectral imaging sensor composed of the significant spectral bands is produced, the crop yield of a wide area can be predicted using a UAV.

Prediction of UCS and STS of Kaolin clay stabilized with supplementary cementitious material using ANN and MLR

  • Kumar, Arvind;Rupali, S.
    • Advances in Computational Design
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    • 제5권2호
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    • pp.195-207
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    • 2020
  • The present study focuses on the application of artificial neural network (ANN) and Multiple linear Regression (MLR) analysis for developing a model to predict the unconfined compressive strength (UCS) and split tensile strength (STS) of the fiber reinforced clay stabilized with grass ash, fly ash and lime. Unconfined compressive strength and Split tensile strength are the nonlinear functions and becomes difficult for developing a predicting model. Artificial neural networks are the efficient tools for predicting models possessing non linearity and are used in the present study along with regression analysis for predicting both UCS and STS. The data required for the model was obtained by systematic experiments performed on only Kaolin clay, clay mixed with varying percentages of fly ash, grass ash, polypropylene fibers and lime as between 10-20%, 1-4%, 0-1.5% and 0-8% respectively. Further, the optimum values of the various stabilizing materials were determined from the experiments. The effect of stabilization is observed by performing compaction tests, split tensile tests and unconfined compression tests. ANN models are trained using the inputs and targets obtained from the experiments. Performance of ANN and Regression analysis is checked with statistical error of correlation coefficient (R) and both the methods predict the UCS and STS values quite well; but it is observed that ANN can predict both the values of UCS as well as STS simultaneously whereas MLR predicts the values separately. It is also observed that only STS values can be predicted efficiently by MLR.

TIME SERIES PREDICTION USING INCREMENTAL REGRESSION

  • Kim, Sung-Hyun;Lee, Yong-Mi;Jin, Long;Chai, Duck-Jin;Ryu, Keun-Ho
    • 대한원격탐사학회:학술대회논문집
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    • 대한원격탐사학회 2006년도 Proceedings of ISRS 2006 PORSEC Volume II
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    • pp.635-638
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    • 2006
  • Regression of conventional prediction techniques in data mining uses the model which is generated from the training step. This model is applied to new input data without any change. If this model is applied directly to time series, the rate of prediction accuracy will be decreased. This paper proposes an incremental regression for time series prediction like typhoon track prediction. This technique considers the characteristic of time series which may be changed over time. It is composed of two steps. The first step executes a fractional process for applying input data to the regression model. The second step updates the model by using its information as new data. Additionally, the model is maintained by only recent data in a queue. This approach has the following two advantages. It maintains the minimum information of the model by using a matrix, so space complexity is reduced. Moreover, it prevents the increment of error rate by updating the model over time. Accuracy rate of the proposed method is measured by RME(Relative Mean Error) and RMSE(Root Mean Square Error). The results of typhoon track prediction experiment are performed by the proposed technique IMLR(Incremental Multiple Linear Regression) is more efficient than those of MLR(Multiple Linear Regression) and SVR(Support Vector Regression).

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QSPR Study of the Absorption Maxima of Azobenzene Dyes

  • Xu, Jie;Wang, Lei;Liu, Li;Bai, Zikui;Wang, Luoxin
    • Bulletin of the Korean Chemical Society
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    • 제32권11호
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    • pp.3865-3872
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    • 2011
  • A quantitative structure-property relationship (QSPR) study was performed for the prediction of the absorption maxima of azobenzene dyes. The entire set of 191 azobenzenes was divided into a training set of 150 azobenzenes and a test set of 41 azobenzenes according to Kennard and Stones algorithm. A seven-descriptor model, with squared correlation coefficient ($R^2$) of 0.8755 and standard error of estimation (s) of 14.476, was developed by applying stepwise multiple linear regression (MLR) analysis on the training set. The reliability of the proposed model was further illustrated using various evaluation techniques: leave-many-out crossvalidation procedure, randomization tests, and validation through the test set.

An Innovative Application Method of Monthly Load Forecasting for Smart IEDs

  • Choi, Myeon-Song;Xiang, Ling;Lee, Seung-Jae;Kim, Tae-Wan
    • Journal of Electrical Engineering and Technology
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    • 제8권5호
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    • pp.984-990
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    • 2013
  • This paper develops a new Intelligent Electronic Device (IED), and then presents an application method of a monthly load forecasting algorithm on the smart IEDs. A Multiple Linear Regression (MLR) model implemented with Recursive Least Square (RLS) estimation is established in the algorithm. Case Study proves the accuracy and reliability of this algorithm and demonstrates the practical meanings through designed screens. The application method shows the general way to make use of IED's smart characteristics and thereby reveals a broad prospect of smart function realization in application.

창업 생태계 품질이 창업 성과에 미치는 영향 (Effect of Entrepreneurial Ecosystem Quality on Entrepreneurship Performance)

  • 이은지;조영주
    • 품질경영학회지
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    • 제50권3호
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    • pp.305-332
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    • 2022
  • Purpose: As the public interest in entrepreneurship has been highlighted and entrepreneurship policies have been generated, this study is to construct Entrepreneurship Ecosystem (EE) models which have a significant relationship to national entrepreneurship with quantitative analysis. It aims to provide implications to EE policymakers that which national components are effective in cultivating innovative entrepreneurship and validate its EE quality based on quantitative performance goals. Methods: This study utilizes secondary data, categorized under the PESTLE factor from credible international organizations (WB, UNDP, GEM, GEDI, and OECD) to determine significant factors in the quality of the entrepreneurial ecosystem. This paper uses the Multiple Linear Regression (MLR) analysis to select the significant variables contributing to entrepreneurship performance. Using the AUC-ROC performance evaluation method for machine learning MLR results, this paper evaluates the performance of EE models so that it can allow approving EE quality by predicting potential performance. Results: Among nine hypothesis models, MLR analysis examines that the number of the Unicorn company, Unicorn companies' economic value, and entrepreneurship measured as GEI can be reasonable dependent variables to indicate the performance derived from EE quality. Rather than government policies and regulations, the social, finance, technology, and economic variables are significant factors of EE quality determining its performance. By having high Area Under Curve values under AUC-ROC analysis, accepted MLR models are regarded as having high prediction accuracy. Conclusion: Superior EE contributes to the outstanding Unicorn companies, and improvement in macro-environmental components can enhance EE quality.

가시광선 / 근적외선 분광 분석법을 이용한 쌀의 정백수율 측정 (Determination of Rice Milling Ratio by Visible / Near-Infrared Spectroscopy)

  • 김재민;민봉기;최창현
    • Journal of Biosystems Engineering
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    • 제22권3호
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    • pp.333-342
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    • 1997
  • The objective of this research was to develop model equations for measuring rice milling ratio by using visible / HIR spectroscopy. Twelve kinds of brown rice(n = 149) were milled to obtain various milling ratio ranged from 86% to 94%. Visible/NIR spectra were collected with a spectrophotometer with sample transport module. The reflectance and transmission spectra were measured in the range of 400~2, 500nm and 600~1, 400nm, respectively, with 2 nm intervals. Multiple linear regression(MLR), Partial least square (PLS), and Artificial neural network(ANN) were used to develop models. Model developed with reflectance spectra showed better prediction results then those with transmission spectra. The MLR model with six-wavelength obtained from first derivative spectra gave to the best results for measuring the rice milling ratio(SEP = 0.535, , $r^2$ = 0.980). The PLS model(SEP = 0.604, $r^2$= 0.976) and ANN model(SEP = 0.566, $r^2$= 0.978) also can be used to determine the rice milling ratio effectively.

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