• Title/Summary/Keyword: Ensemble Modeling

Search Result 83, Processing Time 0.027 seconds

Molecular dynamics simulation of bulk silicon under strain

  • Zhao, H.;Aluru, N.R.
    • Interaction and multiscale mechanics
    • /
    • v.1 no.2
    • /
    • pp.303-315
    • /
    • 2008
  • In this paper, thermodynamical properties of crystalline silicon under strain are calculated using classical molecular dynamics (MD) simulations based on the Tersoff interatomic potential. The Helmholtz free energy of the silicon crystal under strain is calculated by using the ensemble method developed by Frenkel and Ladd (1984). To account for quantum corrections under strain in the classical MD simulations, we propose an approach where the quantum corrections to the internal energy and the Helmholtz free energy are obtained by using the corresponding energy deviation between the classical and quantum harmonic oscillators. We calculate the variation of thermodynamic properties with temperature and strain and compare them with results obtained by using the quasi-harmonic model in the reciprocal space.

Modeling of rheological behavior of nanocomposites by Brownian dynamics simulation

  • Song Young Seok;Youn Jae Ryoun
    • Korea-Australia Rheology Journal
    • /
    • v.16 no.4
    • /
    • pp.201-212
    • /
    • 2004
  • Properties of polymer based nanocomposites depend on dispersion state of embedded fillers. In order to examine the effect of dispersion state on rheological properties, a new bi-mode FENE dumbbell model was proposed. The FENE dumbbell model includes two separate ensemble sets of dumbbells with different fric­tion coefficients, which simulate behavior of well dispersed and aggregated carbon nanotubes (CNTs). A new parameter indicating dispersion state of the CNT was proposed to account for degree of dispersion quantitatively as well as qualitatively. Rheological material functions in elongational, steady shear, and oscillatory shear flows were obtained numerically. The CNT/epoxy nanocomposites with different dis­persion state were prepared depending on whether a solvent is used for the dispersion of CNTs or not. Dis­persion state of the CNT in the epoxy nanocomposites was morphologically characterized by the field emission scanning electronic microscope and the transmission electron microscope images. It was found that the numerical prediction was in a good agreement with experimental results especially for steady state shear flow.

Mobile health service user characteristics analysis and churn prediction model development (모바일 헬스 서비스 사용자 특성 분석 및 이탈 예측 모델 개발)

  • Han, Jeong Hyeon;Lee, Joo Yeoun
    • Journal of the Korean Society of Systems Engineering
    • /
    • v.17 no.2
    • /
    • pp.98-105
    • /
    • 2021
  • As the average life expectancy is rising, the population is aging and the number of chronic diseases is increasing. This has increased the importance of healthy life and health management, and interest in mobile health services is on the rise thanks to the development of ICT(Information and communication technologies) and the smartphone use expansion. In order to meet these interests, many mobile services related to daily health are being launched in the market. Therefore, in this study, the characteristics of users who actually use mobile health services were analyzed and a predictive model applied with machine learning modeling was developed. As a result of the study, we developed a prediction model to which the decision tree and ensemble methods were applied. And it was found that the mobile health service users' continued use can be induced by providing features that require frequent visit, suggesting achievable activity missions, and guiding the sensor connection for user's activity measurement.

Comparison of Data Assimilation Methods in a Regional Ocean Circulation Model for the Yellow and East China Seas (자료동화 기법에 따른 황·동중국해 지역 해양순환모델 결과 비교)

  • Lee, Joon-Ho;Moon, Jae-Hong;Choi, Youngjin
    • Ocean and Polar Research
    • /
    • v.42 no.3
    • /
    • pp.179-194
    • /
    • 2020
  • The present study aims to evaluate the effects of satellite-based SST (OSTIA) assimilation on a regional ocean circulation model for the Yellow and East China Seas (YECS), using three different assimilation methods: the Ensemble Optimal Interpolation (EnOI), Ensemble Kalman Filter (EnKF), and 4-Dimensional Variational (4DVAR) techniques, which are widely used in the ocean modeling communities. The model experiments show that an improved initial condition by assimilating the SST affects the seasonal water temperature and water mass distributions of the YECS. In particular, the SST data assimilation influences the temperature structures horizontally and vertically in winter, thereby improving the behavior of the YS warm current water. This is due to the fact that during wintertime the water column is well mixed, which is directly updated by the SST assimilation. The model comparisons indicate that the SST assimilation can improve the model performance in resolving the subsurface structures in wintertime, but has a relatively small impact in summertime due to the strong stratification. The differences among the different assimilation experiments are obvious when the SST was sharply changed due to a typhoon passage. Overall, the EnKF and 4DVAR show better agreement with the observations than the EnOI. The relatively low performance of EnOI under storm conditions may be related with a limitation of EnOI method whereby an analysis is obtained from a number of climatological fields, and thus the typhoon-induced SST changes in short-time scales may not be adequately reflected in the data assimilation.

Climate Change Impact Assessment of Abies nephrolepis (Trautv.) Maxim. in Subalpine Ecosystem using Ensemble Habitat Suitability Modeling (서식처 적합모형을 적용한 고산지역 분비나무의 기후변화 영향평가)

  • Choi, Jae-Yong;Lee, Sang-Hyuk
    • Journal of the Korean Society of Environmental Restoration Technology
    • /
    • v.21 no.1
    • /
    • pp.103-118
    • /
    • 2018
  • Ecosystems in subalpine regions are recognized as areas vulnerable to climatic changes because rainfall and the possibility of flora migration are very low due to the characteristics of topography in the regions. In this context, habitat niche was formulated for representative species of arbors in subalpine regions in order to understand the effects of climatic changes on alpine arbor ecosystems. The current potential habitats were modeled as future change areas according to the climatic change scenarios. Based on the growth conditions and environmental characteristics of the habitats, the study was conducted to identify direct and indirect causes affecting the habitat reduction of Abies nephrolepis. Diverse model algorithms for explanation of the relationship between the emergence of biological species and habitat environments were reviewed to construct the environmental data suitable for the six models(GLM, GAM, RF, MaxEnt, ANN, and SVM). Weights determined through TSS were applied to the six models for ensemble in an attempt to minimize the uncertainty of the models. Based on the current climate determined by averaging the climates over the past 30years(1981~2010) and the HadGEM-RA model was applied to fabricate bioclimatic variables for scenarios RCP 4.5 and 8.5 on the near and far future. The results of models of the alpine region tree species studied were put together and evaluated and the results indicated that a total of eight national parks such as Mt. Seorak, Odaesan, and Hallasan would be mainly affected by climatic changes. Changes in the Baekdudaegan reserves were analyzed and in the results, A. nephrolepis was predicted to be affected the most in the RCP8.5. The results of analysis as such are expected to be finally utilizable in the survey of biological species in the Korean peninsula, restoration and conservation strategies considering climatic changes as the analysis identified the degrees of impacts of climatic changes on subalpine region trees in Korean peninsula with very high conservation values.

Implementation of Spatial Downscaling Method Based on Gradient and Inverse Distance Squared (GIDS) for High-Resolution Numerical Weather Prediction Data (고해상도 수치예측자료 생산을 위한 경도-역거리 제곱법(GIDS) 기반의 공간 규모 상세화 기법 활용)

  • Yang, Ah-Ryeon;Oh, Su-Bin;Kim, Joowan;Lee, Seung-Woo;Kim, Chun-Ji;Park, Soohyun
    • Atmosphere
    • /
    • v.31 no.2
    • /
    • pp.185-198
    • /
    • 2021
  • In this study, we examined a spatial downscaling method based on Gradient and Inverse Distance Squared (GIDS) weighting to produce high-resolution grid data from a numerical weather prediction model over Korean Peninsula with complex terrain. The GIDS is a simple and effective geostatistical downscaling method using horizontal distance gradients and an elevation. The predicted meteorological variables (e.g., temperature and 3-hr accumulated rainfall amount) from the Limited-area ENsemble prediction System (LENS; horizontal grid spacing of 3 km) are used for the GIDS to produce a higher horizontal resolution (1.5 km) data set. The obtained results were compared to those from the bilinear interpolation. The GIDS effectively produced high-resolution gridded data for temperature with the continuous spatial distribution and high dependence on topography. The results showed a better agreement with the observation by increasing a searching radius from 10 to 30 km. However, the GIDS showed relatively lower performance for the precipitation variable. Although the GIDS has a significant efficiency in producing a higher resolution gridded temperature data, it requires further study to be applied for rainfall events.

Feature selection and prediction modeling of drug responsiveness in Pharmacogenomics (약물유전체학에서 약물반응 예측모형과 변수선택 방법)

  • Kim, Kyuhwan;Kim, Wonkuk
    • The Korean Journal of Applied Statistics
    • /
    • v.34 no.2
    • /
    • pp.153-166
    • /
    • 2021
  • A main goal of pharmacogenomics studies is to predict individual's drug responsiveness based on high dimensional genetic variables. Due to a large number of variables, feature selection is required in order to reduce the number of variables. The selected features are used to construct a predictive model using machine learning algorithms. In the present study, we applied several hybrid feature selection methods such as combinations of logistic regression, ReliefF, TurF, random forest, and LASSO to a next generation sequencing data set of 400 epilepsy patients. We then applied the selected features to machine learning methods including random forest, gradient boosting, and support vector machine as well as a stacking ensemble method. Our results showed that the stacking model with a hybrid feature selection of random forest and ReliefF performs better than with other combinations of approaches. Based on a 5-fold cross validation partition, the mean test accuracy value of the best model was 0.727 and the mean test AUC value of the best model was 0.761. It also appeared that the stacking models outperform than single machine learning predictive models when using the same selected features.

A Modeling of Realtime Fuel Comsumption Prediction Using OBDII Data (OBDII 데이터 기반의 실시간 연료 소비량 예측 모델 연구)

  • Yang, Hee-Eun;Kim, Do-Hyun;Choe, Hoseop
    • KIPS Transactions on Software and Data Engineering
    • /
    • v.10 no.2
    • /
    • pp.57-64
    • /
    • 2021
  • This study presents a method for realtime fuel consumption prediction using real data collected from OBDII. With the advent of the era of self-driving cars, electronic control units(ECU) are getting more complex, and various studies are being attempted to extract and analyze more accurate data from vehicles. But since ECU is getting more complex, it is getting harder to get the data from ECU. To solve this problem, the firmware was developed for acquiring accurate vehicle data in this study, which extracted 53,580 actual driving data sets from vehicles from January to February 2019. Using these data, the ensemble stacking technique was used to increase the accuracy of the realtime fuel consumption prediction model. In this study, Ridge, Lasso, XGBoost, and LightGBM were used as base models, and Ridge was used for meta model, and the predicted performance was MAE 0.011, RMSE 0.017.

Indoor positioning method using WiFi signal based on XGboost (XGboost 기반의 WiFi 신호를 이용한 실내 측위 기법)

  • Hwang, Chi-Gon;Yoon, Chang-Pyo;Kim, Dae-Jin
    • Journal of the Korea Institute of Information and Communication Engineering
    • /
    • v.26 no.1
    • /
    • pp.70-75
    • /
    • 2022
  • Accurately measuring location is necessary to provide a variety of services. The data for indoor positioning measures the RSSI values from the WiFi device through an application of a smartphone. The measured data becomes the raw data of machine learning. The feature data is the measured RSSI value, and the label is the name of the space for the measured position. For this purpose, the machine learning technique is to study a technique that predicts the exact location only with the WiFi signal by applying an efficient technique to classification. Ensemble is a technique for obtaining more accurate predictions through various models than one model, including backing and boosting. Among them, Boosting is a technique for adjusting the weight of a model through a modeling result based on sampled data, and there are various algorithms. This study uses Xgboost among the above techniques and evaluates performance with other ensemble techniques.

Machine Learning Framework for Predicting Voids in the Mineral Aggregation in Asphalt Mixtures (아스팔트 혼합물의 골재 간극률 예측을 위한 기계학습 프레임워크)

  • Hyemin Park;Ilho Na;Hyunhwan Kim;Bongjun Ji
    • Journal of the Korean Geosynthetics Society
    • /
    • v.23 no.1
    • /
    • pp.17-25
    • /
    • 2024
  • The Voids in the Mineral Aggregate (VMA) within asphalt mixtures play a crucial role in defining the mixture's structural integrity, durability, and resistance to environmental factors. Accurate prediction and optimization of VMA are essential for enhancing the performance and longevity of asphalt pavements, particularly in varying climatic and environmental conditions. This study introduces a novel machine learning framework leveraging ensemble machine learning model for predicting VMA in asphalt mixtures. By analyzing a comprehensive set of variables, including aggregate size distribution, binder content, and compaction levels, our framework offers a more precise prediction of VMA than traditional single-model approaches. The use of advanced machine learning techniques not only surpasses the accuracy of conventional empirical methods but also significantly reduces the reliance on extensive laboratory testing. Our findings highlight the effectiveness of a data-driven approach in the field of asphalt mixture design, showcasing a path toward more efficient and sustainable pavement engineering practices. This research contributes to the advancement of predictive modeling in construction materials, offering valuable insights for the design and optimization of asphalt mixtures with optimal void characteristics.