Steered molecular dynamics (SMD) method provides a new tool to investigate the structure-activity relationship, but its application is restricted severely when the real dissociation pathway is crooked. In this paper, a self-adaptive SMD method is designed for protein-ligand and protein-protein unbinding. During the unbinding process, the pulling direction varies automatically with a specified genetic algorithm to find the pathway which can be passed through with minimum force, so the rupture force of the unbinding process can be minimized and a rational dissociation pathway can be found the receptor-ligand complex. To evaluate the efficiency of the proposed method, several representative protein-ligand complexes and protein-protein complexes are simulated to pull the ligands away from the receptors. Compared with the conventional SMD, the new SMD scheme gains different dissociation pathways, and these new pathways generally have smaller rupture force and lower energy barrier.
{"title":"A Steered Molecular Dynamics Method for Receptor-Ligand Unbinding Based on Genetic Algorithm","authors":"Junfeng Gu, Xicheng Wang, Yingying Yang","doi":"10.1109/ISCC-C.2013.31","DOIUrl":"https://doi.org/10.1109/ISCC-C.2013.31","url":null,"abstract":"Steered molecular dynamics (SMD) method provides a new tool to investigate the structure-activity relationship, but its application is restricted severely when the real dissociation pathway is crooked. In this paper, a self-adaptive SMD method is designed for protein-ligand and protein-protein unbinding. During the unbinding process, the pulling direction varies automatically with a specified genetic algorithm to find the pathway which can be passed through with minimum force, so the rupture force of the unbinding process can be minimized and a rational dissociation pathway can be found the receptor-ligand complex. To evaluate the efficiency of the proposed method, several representative protein-ligand complexes and protein-protein complexes are simulated to pull the ligands away from the receptors. Compared with the conventional SMD, the new SMD scheme gains different dissociation pathways, and these new pathways generally have smaller rupture force and lower energy barrier.","PeriodicalId":313511,"journal":{"name":"2013 International Conference on Information Science and Cloud Computing Companion","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2013-12-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"130458382","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Demand of spare parts of short life cycle products has great random fluctuation and short life cycle. Traditional forecasting methods have low forecasting accuracy which leads to under stock or overstock of spare parts. Considering such situation an improved forecasting method based on Empirical Mode Decomposition and Support Vector Machine (IEMD-SVM) is proposed. By replacing the Cubic Spline Interpolation in the standard EMD with Piecewise Cubic Hermite Interpolation, the overshoots and undershoots problems caused by great volatility of data are solved. Experiments with 459 real data sets show that the IEMD-SVM forecasting method has a better forecasting result than traditional forecasting methods which provides better decision supports for enterprise inventory management.
{"title":"An Improved Forecasting Algorithm for Spare Parts of Short Life Cycle Products Based on EMD-SVM","authors":"Jie Li, Yeliang Fan, Yong Xu, Huiran Feng","doi":"10.1109/ISCC-C.2013.41","DOIUrl":"https://doi.org/10.1109/ISCC-C.2013.41","url":null,"abstract":"Demand of spare parts of short life cycle products has great random fluctuation and short life cycle. Traditional forecasting methods have low forecasting accuracy which leads to under stock or overstock of spare parts. Considering such situation an improved forecasting method based on Empirical Mode Decomposition and Support Vector Machine (IEMD-SVM) is proposed. By replacing the Cubic Spline Interpolation in the standard EMD with Piecewise Cubic Hermite Interpolation, the overshoots and undershoots problems caused by great volatility of data are solved. Experiments with 459 real data sets show that the IEMD-SVM forecasting method has a better forecasting result than traditional forecasting methods which provides better decision supports for enterprise inventory management.","PeriodicalId":313511,"journal":{"name":"2013 International Conference on Information Science and Cloud Computing Companion","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2013-12-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"126531951","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
In order to achieve defuzzification, converts fuzzy quantity to accurate quantity in fuzzy control, researching about solving fuzzy nonlinear systems. Parameters transform method combines with homotopy method are introduced in this paper. The parameters transform method transforms a class of general fuzzy nonlinear systems and full fuzzy nonlinear systems into numerical nonlinear systems. Then, one can get solutions of the numerical nonlinear systems based on the homotopy method. It is feasible to choose any appropriate initial value when using homotopy method, avoiding the hard work of selecting appropriate initial values. The numerical experiments approve this method is a useful defuzzification at last. It is easier to accomplish defuzzification by solving the two fuzzy nonlinear systems. In this way, a class of fuzzy control can be established based on the defuzzification.
{"title":"Solving Fuzzy Nonlinear Systems -- A Class of Defuzzification in the Fuzzy Control","authors":"Meizhen Jia, Xiaohua Peng","doi":"10.1109/ISCC-C.2013.125","DOIUrl":"https://doi.org/10.1109/ISCC-C.2013.125","url":null,"abstract":"In order to achieve defuzzification, converts fuzzy quantity to accurate quantity in fuzzy control, researching about solving fuzzy nonlinear systems. Parameters transform method combines with homotopy method are introduced in this paper. The parameters transform method transforms a class of general fuzzy nonlinear systems and full fuzzy nonlinear systems into numerical nonlinear systems. Then, one can get solutions of the numerical nonlinear systems based on the homotopy method. It is feasible to choose any appropriate initial value when using homotopy method, avoiding the hard work of selecting appropriate initial values. The numerical experiments approve this method is a useful defuzzification at last. It is easier to accomplish defuzzification by solving the two fuzzy nonlinear systems. In this way, a class of fuzzy control can be established based on the defuzzification.","PeriodicalId":313511,"journal":{"name":"2013 International Conference on Information Science and Cloud Computing Companion","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2013-12-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"116685585","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
In order to give the more reasonable models of population projections, delay differential equations with two lags were considered. By analysing the relative growth rate of population, the growth function of population which determined by the maximum age and minimum age of new mothers might be more suitable. Because of the model does not have analytic solution, numerical method gives the result of the delay differential equation, and the population of America and population in the world tests the rationality of the model. The result of the model agrees with the actual when give the appropriate parameters and some reasonable assumptions.
{"title":"The Model of Population Projection by Delay Differential Equation with Two Lags","authors":"L. Fan","doi":"10.1109/ISCC-C.2013.141","DOIUrl":"https://doi.org/10.1109/ISCC-C.2013.141","url":null,"abstract":"In order to give the more reasonable models of population projections, delay differential equations with two lags were considered. By analysing the relative growth rate of population, the growth function of population which determined by the maximum age and minimum age of new mothers might be more suitable. Because of the model does not have analytic solution, numerical method gives the result of the delay differential equation, and the population of America and population in the world tests the rationality of the model. The result of the model agrees with the actual when give the appropriate parameters and some reasonable assumptions.","PeriodicalId":313511,"journal":{"name":"2013 International Conference on Information Science and Cloud Computing Companion","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2013-12-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"125295545","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
In order to solve travelling salesman problem (TSP), a hybrid artificial bee colony algorithm combined with simulated annealing algorithm (HABC-SA) is presented for TSP. This algorithm gives a discrete coding method for food source position. Crossover and mutation operators in genetic algorithm are introduced into the new algorithm to do local search, Simulated annealing idea is applied in this hybrid artificial bee colony algorithm to increase the diversity of food sources. The proposed algorithm is tested on benchmark problems, and results show that this algorithm can avoid pre-maturity and advance constringency for TSP.
{"title":"A Hybrid Artificial Bee Colony Algorithm Combined with Simulated Annealing Algorithm for Traveling Salesman Problem","authors":"Pei Shi, Suling Jia","doi":"10.1109/ISCC-C.2013.13","DOIUrl":"https://doi.org/10.1109/ISCC-C.2013.13","url":null,"abstract":"In order to solve travelling salesman problem (TSP), a hybrid artificial bee colony algorithm combined with simulated annealing algorithm (HABC-SA) is presented for TSP. This algorithm gives a discrete coding method for food source position. Crossover and mutation operators in genetic algorithm are introduced into the new algorithm to do local search, Simulated annealing idea is applied in this hybrid artificial bee colony algorithm to increase the diversity of food sources. The proposed algorithm is tested on benchmark problems, and results show that this algorithm can avoid pre-maturity and advance constringency for TSP.","PeriodicalId":313511,"journal":{"name":"2013 International Conference on Information Science and Cloud Computing Companion","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2013-12-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"122618148","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Li Ma, Xialing Chu, Xiu-jie Huang, Rui-quan Xiong, Huan-huan Li, Qun Lin
In order to solve the problems like Chinese farmers' weak economic strength, low ability for receiving technology, and low efficiency of agricultural science and technology diffusion, the diffusion of agricultural science and technology among farmers is simulated and analyzed. By using the complex network theory and Net logo software, the spread of agricultural science and technology is simulated. Results show that the higher the "network-density" and "disseminator" are, the faster the agricultural science and technology diffuses, the more the "explorer" and "intensity" are, the faster the agricultural science and technology diffuses, however when the number of "explorer" and "intensity" reache a certain level, agricultural science and technology diffusion enters a platform stage, and the bigger the "cost" is, the smaller the "revenue" is, the larger the technical potential difference is, the more the time full coverage of agricultural science and technology consumes, The "environment" factor is not sensitive to the technology diffusion. Agricultural science and technology diffusion model and simulation established by using the theory and method of complex network, can provide a reference for the improvement of agricultural technology diffusion system and diffusion method.
{"title":"Simulation Research on Diffusion of Agricultural Science and Technology for Peasant","authors":"Li Ma, Xialing Chu, Xiu-jie Huang, Rui-quan Xiong, Huan-huan Li, Qun Lin","doi":"10.1109/ISCC-C.2013.123","DOIUrl":"https://doi.org/10.1109/ISCC-C.2013.123","url":null,"abstract":"In order to solve the problems like Chinese farmers' weak economic strength, low ability for receiving technology, and low efficiency of agricultural science and technology diffusion, the diffusion of agricultural science and technology among farmers is simulated and analyzed. By using the complex network theory and Net logo software, the spread of agricultural science and technology is simulated. Results show that the higher the \"network-density\" and \"disseminator\" are, the faster the agricultural science and technology diffuses, the more the \"explorer\" and \"intensity\" are, the faster the agricultural science and technology diffuses, however when the number of \"explorer\" and \"intensity\" reache a certain level, agricultural science and technology diffusion enters a platform stage, and the bigger the \"cost\" is, the smaller the \"revenue\" is, the larger the technical potential difference is, the more the time full coverage of agricultural science and technology consumes, The \"environment\" factor is not sensitive to the technology diffusion. Agricultural science and technology diffusion model and simulation established by using the theory and method of complex network, can provide a reference for the improvement of agricultural technology diffusion system and diffusion method.","PeriodicalId":313511,"journal":{"name":"2013 International Conference on Information Science and Cloud Computing Companion","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2013-12-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"131761539","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Chip Multiprocessor (CMP) has become computing engine for a wide spectrum of applications due to its higher throughput and better energy efficiency. The problem of optimal task-to-core allocation with the minimum energy consumption has been proven to be NP-hard. In order to solve the energy-efficient real-time task mapping in the voltage frequency islands (VFI) based multicore system, we propose a heuristics EEGA (Energy-Efficient and Genetic Algorithm) to address the problem. During the iteration process of the algorithm, the energy consumption of the processor can be gradually optimized by the selection, crossover and mutation operators. Experimental results show that when compared with other energy-efficient mapping algorithms, our proposed approach can gain better performance with regard to the energy efficiency and schedulability ratio.
{"title":"Energy-Efficient Task Allocation for VFI-Based Real-Time Multi-core Systems","authors":"Xiaodong Wu, Yuzhu Zeng, Jianjun Han","doi":"10.1109/ISCC-C.2013.68","DOIUrl":"https://doi.org/10.1109/ISCC-C.2013.68","url":null,"abstract":"Chip Multiprocessor (CMP) has become computing engine for a wide spectrum of applications due to its higher throughput and better energy efficiency. The problem of optimal task-to-core allocation with the minimum energy consumption has been proven to be NP-hard. In order to solve the energy-efficient real-time task mapping in the voltage frequency islands (VFI) based multicore system, we propose a heuristics EEGA (Energy-Efficient and Genetic Algorithm) to address the problem. During the iteration process of the algorithm, the energy consumption of the processor can be gradually optimized by the selection, crossover and mutation operators. Experimental results show that when compared with other energy-efficient mapping algorithms, our proposed approach can gain better performance with regard to the energy efficiency and schedulability ratio.","PeriodicalId":313511,"journal":{"name":"2013 International Conference on Information Science and Cloud Computing Companion","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2013-12-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"132623564","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Due to the complexity and diversity of business data in software systems, data pre-processor has become an indispensable part of software. However, the common data preprocessor has some shortcomings such as poor structure flexibility, difficult of extension and maintenance, poor data processing ability, long development cycle and others. To solve these problems, this paper proposes a general data pre-processor design method based on model driven architecture. Using the ideas of model driven architecture, with the aid of modeling tools and modeling language, a preprocessor demand model is established firstly, based on which a preprocessor platform independent model is established, and finally translated into preprocessor code. The method is applied to the design of the data preprocessor in the billing system with its validity being proved and it can be easily applied to the design of other kinds of data preprocessors.
{"title":"Model Driven Programming in Data Preprocessor Design","authors":"Dangwei Liang, Fei-yue Ye, Hao Shi, D. Xiao","doi":"10.1109/ISCC-C.2013.86","DOIUrl":"https://doi.org/10.1109/ISCC-C.2013.86","url":null,"abstract":"Due to the complexity and diversity of business data in software systems, data pre-processor has become an indispensable part of software. However, the common data preprocessor has some shortcomings such as poor structure flexibility, difficult of extension and maintenance, poor data processing ability, long development cycle and others. To solve these problems, this paper proposes a general data pre-processor design method based on model driven architecture. Using the ideas of model driven architecture, with the aid of modeling tools and modeling language, a preprocessor demand model is established firstly, based on which a preprocessor platform independent model is established, and finally translated into preprocessor code. The method is applied to the design of the data preprocessor in the billing system with its validity being proved and it can be easily applied to the design of other kinds of data preprocessors.","PeriodicalId":313511,"journal":{"name":"2013 International Conference on Information Science and Cloud Computing Companion","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2013-12-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"132987401","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
This paper presents a parallel domain decomposition finite difference time domain (DD-FDTD) algorithm based on MapReduce architectural pattern in a Hadoop cloud computing cluster. The algorithm is implemented on a 6-nodes Hadoop laboratory test cloud computing cluster to compute the electromagnetic fields of lightning in the downtown area in Shanghai city, PR China. The speedup ratio under different numbers of computational sub domains is evaluated. It shows that the maximum speedup ratio of the algorithm implemented on our Hadoop cluster is about 2.4, which will increase with the scale of the mesh model and the nodes of the Hadoop cluster.
{"title":"A Parallel Domain Decomposition FDTD Algorithm Based on Cloud Computing","authors":"Haiming Lin, Xiaohu Liu, Kangyu Jia, Wei Fu","doi":"10.1109/ISCC-C.2013.28","DOIUrl":"https://doi.org/10.1109/ISCC-C.2013.28","url":null,"abstract":"This paper presents a parallel domain decomposition finite difference time domain (DD-FDTD) algorithm based on MapReduce architectural pattern in a Hadoop cloud computing cluster. The algorithm is implemented on a 6-nodes Hadoop laboratory test cloud computing cluster to compute the electromagnetic fields of lightning in the downtown area in Shanghai city, PR China. The speedup ratio under different numbers of computational sub domains is evaluated. It shows that the maximum speedup ratio of the algorithm implemented on our Hadoop cluster is about 2.4, which will increase with the scale of the mesh model and the nodes of the Hadoop cluster.","PeriodicalId":313511,"journal":{"name":"2013 International Conference on Information Science and Cloud Computing Companion","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2013-12-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"132289438","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
It is a very hot research topic in GIS, virtual reality, computer graphics, digital photogrammetry and other fields which should be researched on 3D terrain visualization. There is also an important part of the digital earth strategy in many fields in order to resolve some comprehensive problems. Trying to take advantage of IDL data processing and graphic display function and Arc Engine spatial analysis function, in the Visual C # 2005 under the environment of hybrid programming mechanism, using of component design and development of integrated development technologies analysis of terrain visualization application operating environment. It should realize the 3D digital terrain expression and spatial analysis function. The results show that the IDL and Arc Engine integrated development method applied to the 3D terrain visualization analysis software platform developed operability and extension force with strong, both in terms of space efficiency and image data analysis, development costs advantages.
{"title":"Research of Terrain 3D Visualization Method Based on IDL and ArcEngine","authors":"Bin Yang, Xiu-mei Gu, Jinfeng Zhan, Mao-song Li","doi":"10.1109/ISCC-C.2013.109","DOIUrl":"https://doi.org/10.1109/ISCC-C.2013.109","url":null,"abstract":"It is a very hot research topic in GIS, virtual reality, computer graphics, digital photogrammetry and other fields which should be researched on 3D terrain visualization. There is also an important part of the digital earth strategy in many fields in order to resolve some comprehensive problems. Trying to take advantage of IDL data processing and graphic display function and Arc Engine spatial analysis function, in the Visual C # 2005 under the environment of hybrid programming mechanism, using of component design and development of integrated development technologies analysis of terrain visualization application operating environment. It should realize the 3D digital terrain expression and spatial analysis function. The results show that the IDL and Arc Engine integrated development method applied to the 3D terrain visualization analysis software platform developed operability and extension force with strong, both in terms of space efficiency and image data analysis, development costs advantages.","PeriodicalId":313511,"journal":{"name":"2013 International Conference on Information Science and Cloud Computing Companion","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2013-12-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"133034268","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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