We propose a divide-and-conquer algorithm to find recursively the scattering matrix of general tight-binding structures. The scattering matrix allows a direct calculation of transport properties in mesoscopic systems ...
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We propose a divide-and-conquer algorithm to find recursively the scattering matrix of general tight-binding structures. The scattering matrix allows a direct calculation of transport properties in mesoscopic systems by using the Landauer formula. The method is exact, and by analyzing the performance of the algorithm in square, triangular and honeycomb lattices, we show a significant improvement in comparison to other state-of-the-art recursive and non-recursive methods. We utilize this algorithm to compute the conductance of a rotated graphene nanoribbon side-contact junction, revealing that for electrons with energies smaller than -2.7 eV the transmission function depends negligibly on the angle of the junction, whereas for electrons with energies greater than -2.7 eV, there exists a set of angles for the system that increase its conductance independently of the energy of the particles.
We develop a fast divide-and-conquer indirect collocation method for the homogeneous Dirichlet boundary value problem of variable-order space-fractional diffusion equations. Due to the impact of the space-dependent va...
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We develop a fast divide-and-conquer indirect collocation method for the homogeneous Dirichlet boundary value problem of variable-order space-fractional diffusion equations. Due to the impact of the space-dependent variable order, the resulting stiffness matrix of the numerical scheme does not have a Toeplitz structure. In this paper, we derive a fast approximation of the coefficient matrix by the means of a finite sum of Toeplitz matrices multiplied by diagonal matrices. We show that the approximation is asymptotically consistent with the original problem, which requires O(Nlog2N)\ memory and O(Nlog3N) computational complexity with N being the numbers of unknowns. Numerical experiments are presented to demonstrate the effectiveness and the efficiency of the proposed method.
Energy conservation and decision making are at the heart of wireless sensor network (WSN) research. Indeed, the limited power of sensors, which is mostly not rechargeable, accompanied to the dense deployment of sensor...
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ISBN:
(纸本)9781728150093
Energy conservation and decision making are at the heart of wireless sensor network (WSN) research. Indeed, the limited power of sensors, which is mostly not rechargeable, accompanied to the dense deployment of sensors, which collect a huge amount of data, complicate the makers' decision. In this paper, we propose an energy-efficient adaptive strategy and decision making technique based on a grid architecture of WSN, where a Grid-Leader (GL) is assigned for each grid. Our technique works on the three tiers of WSN: sensors, grid-leader (GL) and sink. At the first tier, each sensor applies a divide-and-conquer algorithm in order to send a reduced set of data to its appropriate GL;At the second tier, the GL combines data coming from sensors and sends useful information, i.e. satisfying a confidence threshold, about the monitored grid to the sink. The last tier, e.g. sink node, introduces two decision tables (score and early decisions) in order to make a real-time decision for each grid in the network. Extensive simulations on real sensor data demonstrated that our technique can be efficiently saving the network energy and helping in taking decisions, while maintaining an acceptable data accuracy level.
Adaptive coarse graining of highly complex biomolecular systems is conducted by either imposing constraints on the system model to generate a coarser model, or releasing certain constraints from it to create a higher ...
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Adaptive coarse graining of highly complex biomolecular systems is conducted by either imposing constraints on the system model to generate a coarser model, or releasing certain constraints from it to create a higher fidelity one. This paper addresses some of the challenges of transitions to finer-scale models. It is shown that the kinetic energy associated with ignored modes of motion during the coarse graining process must be estimated and put back into the simulation. As such, unlike real mechanical systems, transitioning back to a finer biomolecular model may result in an infinite number of solutions. Herein, an optimization-based approach subject to the satisfaction of impulse-momentum balance and desired kinetic energy is presented to arrive at a physically meaningful state of the system immediately after the transition. In order to reduce the cost of formulating and solving this optimization problem, generalized velocities of the system are partitioned into two categories: independent joint velocities associated with the released joints, and dependent joint velocities associated with the rest of the joints. This paper further develops a divide-and-conquer algorithm to efficiently perform this partitioning process and express dependent velocities in terms of independent ones. The presented method is highly parallelizable and avoids the construction of the mass and Jacobian matrices of the entire system, resulting in a significant improvement in computational efficiency.
This paper provides an enhanced method focused on reducing the computational complexity of function approximation problems by dividing the input data vectors into small groups, which avoids the curse of dimensionality...
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This paper provides an enhanced method focused on reducing the computational complexity of function approximation problems by dividing the input data vectors into small groups, which avoids the curse of dimensionality. The computational complexity and memory requirements of the approximated problem are higher when the input data dimensionality increases. A divide-and-conquer algorithm is used to distribute the input data of the complex problem to a divided radial basis function neural network (Div-RBFNN). Under this algorithm, the input data variables are typically distributed to different RBFNNs based on whether the number of the input data dimensions is odd or even. In this paper, each Div-RBFNN will be executed independently and the resulting outputs of all Div-RBFNNs will be grouped using a system of linear combination function. The parameters of each Div-RBFNN (centers, radii, and weights) will be optimized using an efficient learning algorithm, which depends on an enhanced clustering algorithm for function approximation, which clusters the centers of the RBFs. Compared to traditional RBFNNs, the proposed methodology reduces the number of executing parameters. It further outperforms traditional RBFNNs not only with respect to the execution time but also in terms of the number of executing parameters of the system, which produces better approximation error.
In this paper, two accelerated divide-and-conquer (ADC) algorithms are proposed for the symmetric tridiagonal eigenvalue problem, which cost O(N(2)r) flops in the worst case, where N is the dimension of the matrix and...
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In this paper, two accelerated divide-and-conquer (ADC) algorithms are proposed for the symmetric tridiagonal eigenvalue problem, which cost O(N(2)r) flops in the worst case, where N is the dimension of the matrix and r is a modest number depending on the distribution of eigenvalues. Both of these algorithms use hierarchically semiseparable (HSS) matrices to approximate some intermediate eigenvector matrices, which are Cauchy-like matrices and are off-diagonally low-rank. The difference of these two versions lies in using different HSS construction algorithms, one (denoted by ADC1) uses a structured low-rank approximation method and the other (ADC2) uses a randomized HSS construction algorithm. For the ADC2 algorithm, a method is proposed to estimate the off-diagonal rank. Numerous experiments have been carried out to show their stability and efficiency. These algorithms are implemented in parallel in a shared memory environment, and some parallel implementation details are included. Comparing the ADCs with highly optimized multi-threaded libraries such as Intel MKL, we find that ADCs could be more than six times faster for some large matrices with few deflations. Copyright (C) 2016 John Wiley & Sons, Ltd.
Kinetic Monte Carlo (KMC) simulations are used to study long-time dynamics of a wide variety of systems. Unfortunately, the conventional KMC algorithm is not scalable to larger systems, since its time scale is inverse...
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Kinetic Monte Carlo (KMC) simulations are used to study long-time dynamics of a wide variety of systems. Unfortunately, the conventional KMC algorithm is not scalable to larger systems, since its time scale is inversely proportional to the simulated system size. A promising approach to resolving this issue is the synchronous parallel KMC (SPKMC) algorithm, which makes the time scale size-independent. This paper introduces a formal derivation of the SPKMC algorithm based on local transition-state and time dependent Hartree approximations, as well as its scalable parallel implementation based on a dual linked list cell method. The resulting algorithm has achieved a weak-scaling parallel efficiency of 0.935 on 1024 Intel Xeon processors for simulating biological electron transfer dynamics in a 4.2 billion-heme system, as well as decent strong-scaling parallel efficiency. The parallel code has been used to simulate a lattice of cytochrome complexes on a bacterial-membrane nanowire, and it is broadly applicable to other problems such as computational synthesis of new materials. (C) 2017 Elsevier B.V. All rights reserved.
Given an unreliable communication network, we seek a most reliable source (MRS) of the network, which maximizes the expected number of nodes that are reachable from it. The problem of computing an MRS in general graph...
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Given an unreliable communication network, we seek a most reliable source (MRS) of the network, which maximizes the expected number of nodes that are reachable from it. The problem of computing an MRS in general graphs is # P-hard. However, this problem in tree networks has been solved in a linear time. A tree network has a weakness of low capability of failure tolerance. Embedding rings into it by adding some additional certain edges to it can enhance its failure tolerance, resulting in another class of sparse networks, called the ring-tree networks. This class of network also has an underlying tree-like topology, leading to its advantage of being easily administrated. This paper concerns with an important case whose underlying topology is a strip graph, called lambda-rings network, and focuses on an unreliable lambda-rings network where each link has an independent operational probability while all nodes are immune to failures. We apply the divide-and-conquer approach to design a fast algorithm for computing an MRS, and employ a binary division tree (BDT) to analyze its time complexity to be O(parallel to lambda parallel to(2)(2) + [log vertical bar lambda vertical bar] center dot parallel to lambda parallel to).
New technological advancements combined with powerful computer hardware and high-speed network make big data *** massive sample size of big data introduces unique computational challenges on scalability and storage of...
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New technological advancements combined with powerful computer hardware and high-speed network make big data *** massive sample size of big data introduces unique computational challenges on scalability and storage of statistical *** this paper,we focus on the lack of fit test of parametric regression models under the framework of big *** develop a computationally feasible testing approach via integrating the divide-and-conquer algorithm into a powerful nonparametric test *** theory results show that under mild conditions,the asymptotic null distribution of the proposed test is standard ***,the proposed test benefits fromthe use of data-driven bandwidth procedure and thus possesses certain adaptive *** studies show that the proposed method has satisfactory performances,and it is illustrated with an analysis of an airline data.
Given an unreliable communication network, we seek a most reliable source (MRS) of the network, which maximizes the expected number of nodes that are reachable from it. The problem of computing an MRS in general graph...
详细信息
ISBN:
(纸本)9783642174605
Given an unreliable communication network, we seek a most reliable source (MRS) of the network, which maximizes the expected number of nodes that are reachable from it. The problem of computing an MRS in general graphs is #P-hard. However, this problem in tree networks has been solved in a linear time. A tree network has a weakness of low capability of failure tolerance. Embedding rings into it by adding some additional certain edges to it can enhance its failure tolerance, resulting in another class of sparse networks, called the ring-tree networks. This class of network also has an underlying tree-like topology, leading to its advantage of being easily administrated. This paper concerns with an important case whose underlying topology is a strip graph, called lambda-rings network, and focuses on an unreliable lambda-rings network where each link has an independent operational probability while all nodes are immune to failures. We apply the divide-and-conquer approach to design a fast algorithm for computing its an MRS, and employ a binary division tree (BDT) to analyze its time complexity to be O(parallel to lambda parallel to(2)(2) + inverted right perpendicularlog vertical bar lambda vertical bar inverted left perpendicular . parallel to lambda parallel to(1))
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