Based on the work of previous researchers, a new unbiased optimization algorithm—the dynamic lattice searching method with two-phase local search and interior operation (DLS-TPIO)—is proposed in this paper. This alg...Based on the work of previous researchers, a new unbiased optimization algorithm—the dynamic lattice searching method with two-phase local search and interior operation (DLS-TPIO)—is proposed in this paper. This algorithm is applied to the optimization of Lennard-Jones (LJ) clusters with N=2–650, 660, and 665–680. For each case, the putative global minimum reported in the Cambridge Cluster Database (CCD) is successfully found. Furthermore, for LJ533 and LJ536, the potential energies obtained in this study are superior to the previous best results. In DLS-TPIO, a combination of the interior operation, two-phase local search method and dynamic lattice searching method is adopted. At the initial stage of the optimization, the interior operation reduces the energy of the cluster, and gradually makes the configuration ordered by moving some surface atoms with high potential energy to the interior of the cluster. Meanwhile, the two-phase local search method guides the search to the more promising region of the configuration space. In this way the success rate of the algorithm is significantly increased. At the final stage of the optimization, in order to decrease energy of the cluster further, the positions of surface atoms are further optimized by using the dynamic lattice searching method. In addition, a simple new method to identify the central atom of icosahedral configurations is also presented. DLS-TPIO has higher computing speed and success rates than some well-known unbiased optimization methods in the literature.展开更多
Navy combat search and rescue(NCSAR) is an important component of the modern maritime warfare and the scenario of NCSAR is the basis for decision makers to rely on. According to the core elements in the NCSAR process,...Navy combat search and rescue(NCSAR) is an important component of the modern maritime warfare and the scenario of NCSAR is the basis for decision makers to rely on. According to the core elements in the NCSAR process, the NCSAR scenario structure is constructed from seven perspectives based on the multi-view architecture framework. According to the NCSAR scenarios evolution over time, the NCSAR scenario sequence is analyzed and modeled based on the concept lattice method. Then,the incremental construction algorithm of the NCSAR scenario sequence lattice is given. On this basis, the similarity measurement index of NCSAR scenarios is defined, and the similarity measurement model of NCSAR scenarios is proposed. Finally, the rationality of the method is verified by an example analysis. The NCSAR scenario and similarity measurement method proposed can provide scientific guidance for rapid making, dynamic adjustment and implementation of the NCSAR program, and thus improve the efficiency and effectiveness of NCSAR.展开更多
A upper estimate function v(x) of Hausdorff measure H’(S) of Sierpinski Gas-ket is given. A mathematical representation of the upper approximate value uN(x)to u(x) and a simple algorithm of uN(x) based on lattice tra...A upper estimate function v(x) of Hausdorff measure H’(S) of Sierpinski Gas-ket is given. A mathematical representation of the upper approximate value uN(x)to u(x) and a simple algorithm of uN(x) based on lattice tracing technique are also derived. As a simple corollary, the estimation H’(S) min u15(n 10-5)=u15(0.50783)=0.81794’is obtained.展开更多
针对Lennard-Jones(LJ)团簇的结构优化问题,在前人工作的基础上,提出了一个新的无偏优化算法,即DLS-TPIO(dynamic lattice searching method with two-phase local searchand interior operation)算法.对LJ2-650,LJ660,LJ665-680这666...针对Lennard-Jones(LJ)团簇的结构优化问题,在前人工作的基础上,提出了一个新的无偏优化算法,即DLS-TPIO(dynamic lattice searching method with two-phase local searchand interior operation)算法.对LJ2-650,LJ660,LJ665-680这666个实例进行了优化计算.为其中每个实例所找到的构型其势能均达到了剑桥团簇数据库中公布的最好记录.对LJ533与LJ536这两个算例,所达到的势能则优于先前的最好记录.在DLS-TPIO算法中,采用了内部操作,两阶段局部搜索方法以及动态格点搜索方法.在优化的前一阶段,内部操作将若干能量较高的表面原子移入团簇的内部,从而降低团簇的能量,并使其构型逐渐地变为有序.与此同时,两阶段局部搜索方法指导搜索进入更有希望的构型区域.这种做法显著地提高了算法的成功率.在优化的后一阶段,借用动态格点搜索方法对团簇表面原子的位置作进一步优化,以再一次降低团簇的能量.另外,为识别二十面体构型的中心原子,本文给出了一个简单的新方法.相比于文献中一些著名的无偏优化算法,DLS-TPIO算法具有较高的计算速度与成功率.展开更多
This paper describes a case study of 3D protein structure prediction of six sequences from protein data bank （PDB） by genetic algorithm and tabu search （GATS）, where off-lattice AB model is considered as a simplif...This paper describes a case study of 3D protein structure prediction of six sequences from protein data bank （PDB） by genetic algorithm and tabu search （GATS）, where off-lattice AB model is considered as a simplified model of protein structure. The lowest-energy values required for forming the native conformation of proteins are searched by GATS, and then the coarse structures （i.e., simplified structure） of the proteins are obtained according to the multiple angle parameters corresponding to the lowest energies. All the coarse structures form single hydrophobic cores surrounded by hydrophilic residues, which stay on the right side of the actual characteristic of protein structure. It demonstrates that this approach can predict the 3D protein structure effectively.展开更多
Using a triangular lattice model to study the designability of proteinfolding, we overcame the parity problem of previous cubic lattice model and enumerated all thesequences and compact structures on a simple two-dime...Using a triangular lattice model to study the designability of proteinfolding, we overcame the parity problem of previous cubic lattice model and enumerated all thesequences and compact structures on a simple two-dimensional triangular lattice model of size4+5+6+5+4. We used two types of amino acids, hydrophobic and polar, to make up the sequences, andachieved 2^(23)+2^(12) different sequences excluding the reverse symmetry sequences. The totalstring number of distinct compact structures was 219,093, excluding reflection symmetry in theself-avoiding path of length 24 triangular lattice model. Based on this model, we applied a fastsearch algorithm by constructing a cluster tree. The algorithm decreased the computation bycomputing the objective energy of non-leaf nodes. The parallel experiments proved that the fast treesearch algorithm yielded an exponential speed-up in the model of size 4+5+6+5+4. Designabilityanalysis was performed to understand the search result.展开更多
近年来,基于格的密码体制受到越来越多的关注。这类密码具有诸多潜在优势:抗量子攻击、并行性好、概念简单、安全性所基于的困难问题的随机实例难解性等价于格上公认困难问题最坏情况等。带关键字检索的公钥加密(PEKS)体制是一种具有关...近年来,基于格的密码体制受到越来越多的关注。这类密码具有诸多潜在优势:抗量子攻击、并行性好、概念简单、安全性所基于的困难问题的随机实例难解性等价于格上公认困难问题最坏情况等。带关键字检索的公钥加密(PEKS)体制是一种具有关键字检索功能的加密机制:用PEKS加密的关键字w的密文和加密消息存储在服务器上,用户向服务器发送一个秘密值Tw,服务器可以搜索出所有包含该关键词w的加密消息,但无法知晓w本身的任何内容。提出了一种基于格的带关键字检索的公钥加密体制,并在随机喻示模型下,基于格上带错误的学习(Learning With Errors)问题的困难性假设证明了新体制的安全性。展开更多
基金supported by the National Natural Science Foundation of China (60773194, 61070235)
文摘Based on the work of previous researchers, a new unbiased optimization algorithm—the dynamic lattice searching method with two-phase local search and interior operation (DLS-TPIO)—is proposed in this paper. This algorithm is applied to the optimization of Lennard-Jones (LJ) clusters with N=2–650, 660, and 665–680. For each case, the putative global minimum reported in the Cambridge Cluster Database (CCD) is successfully found. Furthermore, for LJ533 and LJ536, the potential energies obtained in this study are superior to the previous best results. In DLS-TPIO, a combination of the interior operation, two-phase local search method and dynamic lattice searching method is adopted. At the initial stage of the optimization, the interior operation reduces the energy of the cluster, and gradually makes the configuration ordered by moving some surface atoms with high potential energy to the interior of the cluster. Meanwhile, the two-phase local search method guides the search to the more promising region of the configuration space. In this way the success rate of the algorithm is significantly increased. At the final stage of the optimization, in order to decrease energy of the cluster further, the positions of surface atoms are further optimized by using the dynamic lattice searching method. In addition, a simple new method to identify the central atom of icosahedral configurations is also presented. DLS-TPIO has higher computing speed and success rates than some well-known unbiased optimization methods in the literature.
基金supported by the National Natural Science Foundation of China (71571185)the National Key Research and Development Project of China (2017YFC1405006)。
文摘Navy combat search and rescue(NCSAR) is an important component of the modern maritime warfare and the scenario of NCSAR is the basis for decision makers to rely on. According to the core elements in the NCSAR process, the NCSAR scenario structure is constructed from seven perspectives based on the multi-view architecture framework. According to the NCSAR scenarios evolution over time, the NCSAR scenario sequence is analyzed and modeled based on the concept lattice method. Then,the incremental construction algorithm of the NCSAR scenario sequence lattice is given. On this basis, the similarity measurement index of NCSAR scenarios is defined, and the similarity measurement model of NCSAR scenarios is proposed. Finally, the rationality of the method is verified by an example analysis. The NCSAR scenario and similarity measurement method proposed can provide scientific guidance for rapid making, dynamic adjustment and implementation of the NCSAR program, and thus improve the efficiency and effectiveness of NCSAR.
文摘A upper estimate function v(x) of Hausdorff measure H’(S) of Sierpinski Gas-ket is given. A mathematical representation of the upper approximate value uN(x)to u(x) and a simple algorithm of uN(x) based on lattice tracing technique are also derived. As a simple corollary, the estimation H’(S) min u15(n 10-5)=u15(0.50783)=0.81794’is obtained.
文摘针对Lennard-Jones(LJ)团簇的结构优化问题,在前人工作的基础上,提出了一个新的无偏优化算法,即DLS-TPIO(dynamic lattice searching method with two-phase local searchand interior operation)算法.对LJ2-650,LJ660,LJ665-680这666个实例进行了优化计算.为其中每个实例所找到的构型其势能均达到了剑桥团簇数据库中公布的最好记录.对LJ533与LJ536这两个算例,所达到的势能则优于先前的最好记录.在DLS-TPIO算法中,采用了内部操作,两阶段局部搜索方法以及动态格点搜索方法.在优化的前一阶段,内部操作将若干能量较高的表面原子移入团簇的内部,从而降低团簇的能量,并使其构型逐渐地变为有序.与此同时,两阶段局部搜索方法指导搜索进入更有希望的构型区域.这种做法显著地提高了算法的成功率.在优化的后一阶段,借用动态格点搜索方法对团簇表面原子的位置作进一步优化,以再一次降低团簇的能量.另外,为识别二十面体构型的中心原子,本文给出了一个简单的新方法.相比于文献中一些著名的无偏优化算法,DLS-TPIO算法具有较高的计算速度与成功率.
基金Supported by the National Natural Science Foundation of China (60975031)the Scientific Research Foundation for the Returned Overseas Chinese Scholars of Ministry of Education of China, the Open Foundation of State Key Laboratory of Bioelectronics of Southeast University, China, and the Natural Science Foundation of Hubei Province, China (2008CDB344 and 2009CDA034)
文摘This paper describes a case study of 3D protein structure prediction of six sequences from protein data bank （PDB） by genetic algorithm and tabu search （GATS）, where off-lattice AB model is considered as a simplified model of protein structure. The lowest-energy values required for forming the native conformation of proteins are searched by GATS, and then the coarse structures （i.e., simplified structure） of the proteins are obtained according to the multiple angle parameters corresponding to the lowest energies. All the coarse structures form single hydrophobic cores surrounded by hydrophilic residues, which stay on the right side of the actual characteristic of protein structure. It demonstrates that this approach can predict the 3D protein structure effectively.
文摘Using a triangular lattice model to study the designability of proteinfolding, we overcame the parity problem of previous cubic lattice model and enumerated all thesequences and compact structures on a simple two-dimensional triangular lattice model of size4+5+6+5+4. We used two types of amino acids, hydrophobic and polar, to make up the sequences, andachieved 2^(23)+2^(12) different sequences excluding the reverse symmetry sequences. The totalstring number of distinct compact structures was 219,093, excluding reflection symmetry in theself-avoiding path of length 24 triangular lattice model. Based on this model, we applied a fastsearch algorithm by constructing a cluster tree. The algorithm decreased the computation bycomputing the objective energy of non-leaf nodes. The parallel experiments proved that the fast treesearch algorithm yielded an exponential speed-up in the model of size 4+5+6+5+4. Designabilityanalysis was performed to understand the search result.
文摘近年来,基于格的密码体制受到越来越多的关注。这类密码具有诸多潜在优势:抗量子攻击、并行性好、概念简单、安全性所基于的困难问题的随机实例难解性等价于格上公认困难问题最坏情况等。带关键字检索的公钥加密(PEKS)体制是一种具有关键字检索功能的加密机制:用PEKS加密的关键字w的密文和加密消息存储在服务器上,用户向服务器发送一个秘密值Tw,服务器可以搜索出所有包含该关键词w的加密消息,但无法知晓w本身的任何内容。提出了一种基于格的带关键字检索的公钥加密体制,并在随机喻示模型下,基于格上带错误的学习(Learning With Errors)问题的困难性假设证明了新体制的安全性。
