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High-performance implementation of Chebyshev filter diagonalization for interior eigenvalue computations

机译:Chebyshev滤波器对角化的高性能实现   内部特征值计算

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摘要

We study Chebyshev filter diagonalization as a tool for the computation ofmany interior eigenvalues of very large sparse symmetric matrices. In thistechnique the subspace projection onto the target space of wanted eigenvectorsis approximated with filter polynomials obtained from Chebyshev expansions ofwindow functions. After the discussion of the conceptual foundations ofChebyshev filter diagonalization we analyze the impact of the choice of thedamping kernel, search space size, and filter polynomial degree on thecomputational accuracy and effort, before we describe the necessary stepstowards a parallel high-performance implementation. Because Chebyshev filterdiagonalization avoids the need for matrix inversion it can deal with matricesand problem sizes that are presently not accessible with rational functionmethods based on direct or iterative linear solvers. To demonstrate thepotential of Chebyshev filter diagonalization for large-scale problems of thiskind we include as an example the computation of the $10^2$ innermosteigenpairs of a topological insulator matrix with dimension $10^9$ derived fromquantum physics applications.
机译:我们研究切比雪夫滤波器对角化作为一种​​工具,用于计算非常大的稀疏对称矩阵的许多内部特征值。在该技术中,子空间投影到所需特征向量的目标空间上的过程近似于从窗口函数的Chebyshev展开获得的滤波器多项式。在讨论了切比雪夫滤波器对角化的概念基础之后,我们在描述实现并行高性能实现的必要步骤之前,分析了阻尼内核,搜索空间大小和滤波器多项式的选择对计算精度和工作量的影响。由于Chebyshev滤波器对角化避免了矩阵求逆的需要,因此它可以处理基于直接或迭代线性求解器的有理函数方法目前无法访问的矩阵和问题大小。为了证明切比雪夫滤波器对角化在这类问题上的潜力,我们以一个量子绝缘应用为例,计算了尺寸为10 ^ 9 $的拓扑绝缘体矩阵的10 ^ 2 $内部动态对。

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