• Title/Summary/Keyword: $G^E$ models

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Using Harmonic Analysis and Optimization to Study Macromolecular Dynamics

  • Kim Moon-K.;Jang Yun-Ho;Jeong Jay-I.
    • International Journal of Control, Automation, and Systems
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    • v.4 no.3
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    • pp.382-393
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    • 2006
  • Mechanical system dynamics plays an important role in the area of computational structural biology. Elastic network models (ENMs) for macromolecules (e.g., polymers, proteins, and nucleic acids such as DNA and RNA) have been developed to understand the relationship between their structure and biological function. For example. a protein, which is basically a folded polypeptide chain, can be simply modeled as a mass-spring system from the mechanical viewpoint. Since the conformational flexibility of a protein is dominantly subject to its chemical bond interactions (e.g., covalent bonds, salt bridges, and hydrogen bonds), these constraints can be modeled as linear spring connections between spatially proximal representatives in a variety of coarse-grained ENMs. Coarse-graining approaches enable one to simulate harmonic and anharmonic motions of large macromolecules in a PC, while all-atom based molecular dynamics (MD) simulation has been conventionally performed with an aid of supercomputer. A harmonic analysis of a macroscopic mechanical system, called normal mode analysis, has been adopted to analyze thermal fluctuations of a microscopic biological system around its equilibrium state. Furthermore, a structure-based system optimization, called elastic network interpolation, has been developed to predict nonlinear transition (or folding) pathways between two different functional states of a same macromolecule. The good agreement of simulation and experiment allows the employment of coarse-grained ENMs as a versatile tool for the study of macromolecular dynamics.

Implementation on the evolutionary machine learning approaches for streamflow forecasting: case study in the Seybous River, Algeria (유출예측을 위한 진화적 기계학습 접근법의 구현: 알제리 세이보스 하천의 사례연구)

  • Zakhrouf, Mousaab;Bouchelkia, Hamid;Stamboul, Madani;Kim, Sungwon;Singh, Vijay P.
    • Journal of Korea Water Resources Association
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    • v.53 no.6
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    • pp.395-408
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    • 2020
  • This paper aims to develop and apply three different machine learning approaches (i.e., artificial neural networks (ANN), adaptive neuro-fuzzy inference systems (ANFIS), and wavelet-based neural networks (WNN)) combined with an evolutionary optimization algorithm and the k-fold cross validation for multi-step (days) streamflow forecasting at the catchment located in Algeria, North Africa. The ANN and ANFIS models yielded similar performances, based on four different statistical indices (i.e., root mean squared error (RMSE), Nash-Sutcliffe efficiency (NSE), correlation coefficient (R), and peak flow criteria (PFC)) for training and testing phases. The values of RMSE and PFC for the WNN model (e.g., RMSE = 8.590 ㎥/sec, PFC = 0.252 for (t+1) day, testing phase) were lower than those of ANN (e.g., RMSE = 19.120 ㎥/sec, PFC = 0.446 for (t+1) day, testing phase) and ANFIS (e.g., RMSE = 18.520 ㎥/sec, PFC = 0.444 for (t+1) day, testing phase) models, while the values of NSE and R for WNN model were higher than those of ANNs and ANFIS models. Therefore, the new approach can be a robust tool for multi-step (days) streamflow forecasting in the Seybous River, Algeria.

Data-Driven Modeling of Freshwater Aquatic Systems: Status and Prospects (자료기반 물환경 모델의 현황 및 발전 방향)

  • Cha, YoonKyung;Shin, Jihoon;Kim, YoungWoo
    • Journal of Korean Society on Water Environment
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    • v.36 no.6
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    • pp.611-620
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    • 2020
  • Although process-based models have been a preferred approach for modeling freshwater aquatic systems over extended time intervals, the increasing utility of data-driven models in a big data environment has made the data-driven models increasingly popular in recent decades. In this study, international peer-reviewed journals for the relevant fields were searched in the Web of Science Core Collection, and an extensive literature review, which included total 2,984 articles published during the last two decades (2000-2020), was performed. The review results indicated that the rate of increase in the number of published studies using data-driven models exceeded those using process-based models since 2010. The increase in the use of data-driven models was partly attributable to the increasing availability of data from new data sources, e.g., remotely sensed hyperspectral or multispectral data. Consistently throughout the past two decades, South Korea has been one of the top ten countries in which the greatest number of studies using the data-driven models were published. Among the major data-driven approaches, i.e., artificial neural network, decision tree, and Bayesian model, were illustrated with case studies. Based on the review, this study aimed to inform the current state of knowledge regarding the biogeochemical water quality and ecological models using data-driven approaches, and provide the remaining challenges and future prospects.

Model Coupling Technique for Level Access in Hierarchical Simulation Models and Its Applications (계층의 구조를 갖는 시뮬레이션 모델에 있어서 단계적 접근을 위한 모델연결 방법론과 그 적용 예)

  • 조대호
    • Journal of the Korea Society for Simulation
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    • v.5 no.2
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    • pp.25-40
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    • 1996
  • Modeling of systems for intensive knowledge-based processing requires a modeling methodology that makes efficient access to the information in huge data base models. The proposed level access mothodology is a modeling approach applicable to systems where data is stored in a hierarchical and modular modules of active memory cells(processor/memory pairs). It significantly reduces the effort required to create discrete event simulation models constructed in hierarchical, modular fashion for above application. Level access mothodology achieves parallel access to models within the modular, hierarchical modules(clusters) by broadcasting the desired operations(e.g. querying information, storing data and so on) to all the cells below a certain desired hierarchical level. Level access methodology exploits the capabilities of object-oriented programming to provide a flexible communication paradigm that combines port-to-port coupling with name-directed massaging. Several examples are given to illustrate the utility of the methodology.

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A Short-term Forecasting of Water Supply Demands by the Transfer Function Model (Transfer Function 모형을 이용한 수도물 수요의 단기예측)

  • Lee, Jae-Joon
    • Journal of Korean Society of Water and Wastewater
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    • v.10 no.2
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    • pp.88-103
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    • 1996
  • The objective of this study is to develop stochastic and deterministic models which could be used to synthesize water application time series. Adaptive models using mulitivariate ARIMA(Transfer Function Model) are developed for daily urban water use forecasting. The model considers several variables on which water demands is dependent. The dynamic response of water demands to several factors(e.g. weekday, average temperature, minimum temperature, maximum temperature, humidity, cloudiness, rainfall) are characterized in the model by transfer functions. Daily water use data of Kumi city in 1992 are employed for model parameter estimation. Meteorological data of Seonsan station are utilized to input variables because Kumi has no records about the meteorological factor data.To determine the main factors influencing water use, autocorrelogram and cross correlogram analysis are performed. Through the identification, parameter estimation, and diagnostic checking of tentative model, final transfer function models by each month are established. The simulation output by transfer function models are compared to a historical data and shows the good agreement.

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Mechatronic Control Model of the Wind Turbine with Transmission to Split Power

  • Zhang Tong;Li Wenyong;Du Yu
    • International Journal of Control, Automation, and Systems
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    • v.3 no.4
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    • pp.533-541
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    • 2005
  • In this paper, a wind turbine with power splitting transmission, which is realized through a novel three-shaft planetary, is presented. The input shaft of the transmission is driven by the rotor of the wind turbine, the output shaft is connected to the grid via the main generator (asynchronous generator), and the third shaft is driven by a control motor with variable speed. The dynamic models of the sub systems of this wind turbine, e.g. the rotor aerodynamics, the drive train dynamics and the power generation unit dynamics, were given and linearized at an operating point. These sub models were integrated in a multidisciplinary dynamic model, which is suitable for control syntheses to optimize the utilization of wind energy and to reduce the excessive dynamic loads. The important dynamic behaviours were investigated and a wind turbine with a soft main shaft was recommend.

Patch load resistance of longitudinally stiffened webs: Modeling via support vector machines

  • Kurtoglu, Ahmet Emin
    • Steel and Composite Structures
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    • v.29 no.3
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    • pp.309-318
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    • 2018
  • Steel girders are the structural members often used for passing long spans. Mostly being subjected to patch loading, or concentrated loading, steel girders are likely to face sudden deformation or damage e.g., web breathing. Horizontal or vertical stiffeners are employed to overcome this phenomenon. This study aims at assessing the feasibility of a machine learning method, namely the support vector machines (SVM) in predicting the patch loading resistance of longitudinally stiffened webs. A database consisting of 162 test data is utilized to develop SVM models and the model with best performance is selected for further inspection. Existing formulations proposed by other researchers are also investigated for comparison. BS5400 and other existing models (model I, model II and model III) appear to yield underestimated predictions with a large scatter; i.e., mean experimental-to-predicted ratios of 1.517, 1.092, 1.155 and 1.256, respectively; whereas the selected SVM model has high prediction accuracy with significantly less scatter. Robust nature and accurate predictions of SVM confirms its feasibility of potential use in solving complex engineering problems.

Precise segmentation of fetal head in ultrasound images using improved U-Net model

  • Vimala Nagabotu;Anupama Namburu
    • ETRI Journal
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    • v.46 no.3
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    • pp.526-537
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    • 2024
  • Monitoring fetal growth in utero is crucial to anomaly diagnosis. However, current computer-vision models struggle to accurately assess the key metrics (i.e., head circumference and occipitofrontal and biparietal diameters) from ultrasound images, largely owing to a lack of training data. Mitigation usually entails image augmentation (e.g., flipping, rotating, scaling, and translating). Nevertheless, the accuracy of our task remains insufficient. Hence, we offer a U-Net fetal head measurement tool that leverages a hybrid Dice and binary cross-entropy loss to compute the similarity between actual and predicted segmented regions. Ellipse-fitted two-dimensional ultrasound images acquired from the HC18 dataset are input, and their lower feature layers are reused for efficiency. During regression, a novel region of interest pooling layer extracts elliptical feature maps, and during segmentation, feature pyramids fuse field-layer data with a new scale attention method to reduce noise. Performance is measured by Dice similarity, mean pixel accuracy, and mean intersection-over-union, giving 97.90%, 99.18%, and 97.81% scores, respectively, which match or outperform the best U-Net models.

Development and Validation of Predictive Models of Esherichia coli O157:H7 Growth in Paprika (파프리카에서 병원성 대장균의 성장예측 모델 개발 및 검증)

  • Yun, Hyejeong;Kim, Juhui;Park, Kyeonghun;Ryu, Kyoung-Yul;Kim, Byung Seok
    • Journal of Food Hygiene and Safety
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    • v.28 no.2
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    • pp.168-173
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    • 2013
  • This study was carried out to develop and validate predictive models of E. coli O157:H7 growth. Growth data of E. coli O157:H7 in Paprika were collected at 12, 24, 30 and $36^{\circ}C$. The population increased into 3.0 to 3.8 log10 CFU/g within 4 days, then continued to increase at a slower rate through 10 days of storage at $12^{\circ}C$. The lag time (LT) and maximum specific growth rate (SGR) obtained from each primary model was then modeled as a function of temperature using Davey and square root equations, respectively. For interpolation of performance evaluation, growth data for a mixture of E. coli O157:H7 were collected at time intervals in paprika incubated at the different temperatures, which was not used in model development. Results of model performance for interpolation data demonstrated that induced secondary models showed acceptable goodness of fit. Relative errors in the LT and SGR model for interpolation data (18 and $27^{\circ}C$) was 100%, which show acceptable goodness of fit and validated for interpolation. The primary and secondary models developed in this study can be used to establish tertiary models to quantify the effects of temperature on the growth of E. coli O157:H7 in paprika.

Conception and Performance Analysis of Efficient CDMA-Based Full-Duplex Anti-collision Scheme

  • Cao, Xiaohua;Li, Tiffany
    • ETRI Journal
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    • v.37 no.5
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    • pp.929-939
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    • 2015
  • Ultra-high-frequency radio-frequency identification (UHF RFID) is widely applied in different industries. The Frame Slotted ALOHA in EPC C1G2 suffers severe collisions that limit the efficiency of tag recognition. An efficient full-duplex anti-collision scheme is proposed to reduce the rate of collision by coordinating the transmitting process of CDMA UWB uplink and UHF downlink. The relevant mathematical models are built to analyze the performance of the proposed scheme. Through simulation, some important findings are gained. The maximum number of identified tags in one slot is g/e (g is the number of PN codes and e is Euler's constant) when the number of tags is equal to mg (m is the number of slots). Unlike the Frame Slotted ALOHA, even if the frame size is small and the number of tags is large, there aren't too many collisions if the number of PN codes is large enough. Our approach with 7-bit Gold codes, 15-bit Gold codes, or 31-bit Gold codes operates 1.4 times, 1.7 times, or 3 times faster than the CDMA Slotted ALOHA, respectively, and 14.5 times, 16.2 times, or 18.5 times faster than the EPC C1 G2 system, respectively. More than 2,000 tags can be processed within 300 ms in our approach.