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4 Krylov Methods for Linear Systems of Equations 332 4.1 Descent Methods . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 333 4.1.1 Quadratic minimization context . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 334 4.1.2 Abstract steepest descent . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 336 4.1.3 Gradient method for s.p.d. linear system of equations . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 339 4.1.4 Convergence of gradient method . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 342 4.2 Conjugate gradient method (CG) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 349 4.2.1 Krylov spaces . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 353 4.2.2 Implementation of CG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 354 4.2.3 Convergence of CG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 361 4.3 Preconditioning . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 372 4.4 Survey of Krylov Subspace Methods . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 384 4.4.1 Minimal residual methods . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 384 4.4.2 Iterations with short recursions . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 387 5 Eigenvalues 392 5.1 Theory of eigenvalue problems . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 396 5.2 “Direct” Eigensolvers . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 402 5.3 Power Methods . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 411 5.3.1 Direct power method . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 411 5.3.2 Inverse Iteration . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 427 Ôº ¼º¼ 5.3.3 Preconditioned inverse iteration (PINVIT) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 444 5.3.4 Subspace iterations . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 449 5.4 Krylov Subspace Methods . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 458 5.5 Singular Value Decomposition . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 481 6 Least Squares 501 6.1 Normal Equations . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 507 6.2 Orthogonal Transformation Methods . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 512 6.3 Total Least Squares . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 524 6.4 Constrained Least Squares . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 525 6.5 Non-linear Least Squares . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 529 6.5.1 (Damped) Newton method . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 531 6.5.2 Gauss-Newton method . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 533 6.5.3 Trust region method (Levenberg-Marquardt method) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 538 7 Filtering Algorithms 540 II Interpolation and Approximation 626 8 Polynomial Interpolation 631 8.1 Polynomials . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 631 8.2 Polynomial Interpolation: Theory . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 633 8.2.1 Lagrange polynomials . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 635 8.2.2 Conditioning of polynomial interpolation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 641 8.3 Polynomial Interpolation: Algorithms . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 645 8.3.1 Multiple evaluations . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 645 8.3.2 Single evaluation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 648 8.3.3 Extrapolation to zero . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 652 8.3.4 Newton basis and divided differences . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 656 8.4 Interpolation Error Estimates . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 661 8.5 Chebychev Interpolation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 670 8.5.1 Motivation and definition . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 670 8.5.2 Chebychev interpolation error estimates . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 676 8.5.3 Chebychev interpolation: computational aspects . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 683 9 Piecewise Polynomials 688 9.1 Shape preserving interpolation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 689 9.2 Piecewise Lagrange interpolation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 694 9.2.1 Piecewise linear interpolation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 694 9.2.2 Piecewise polynomial interpolation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 697 9.2.3 Approximation via piecewise polynomial interpolation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 698 9.3 Cubic Hermite Interpolation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 702 9.3.1 Definition and algorithms . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 702 9.3.2 Interpolation error estimates . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 708 9.3.3 Shape preserving Hermite interpolation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 716 Ôº ¼º¼ 7.1 Discrete convolutions . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 541 7.2 Discrete Fourier Transform (DFT) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 555 7.2.1 Discrete convolution via DFT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 566 7.2.2 Frequency filtering via DFT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 568 7.2.3 Real DFT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 582 7.2.4 Two-dimensional DFT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 584 7.3 Fast Fourier Transform (FFT) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 592 7.4 Trigonometric transformations . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 604 7.4.1 Sine transform . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 605 Ôº ¼º¼ 7.4.2 Cosine transform . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 614 7.5 Toeplitz matrix techniques . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 617 7.5.1 Toeplitz matrix arithmetic . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 620 7.5.2 The Levinson algorithm . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 622 9.4 Splines . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 721 9.4.1 Cubic spline interpolation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 722 9.4.2 Shape Preserving Spline Interpolation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 735 9.5 Bezier Techniques . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 749 10 Numerical Quadrature 761 10.1 Quadrature Formulas . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 764 10.2 Polynomial Quadrature Formulas . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 767 10.3 Composite Quadrature . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 772 Ôº ¼º¼ 10.4 Gauss Quadrature . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 792 10.5 Oscillatory Integrals . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 812 10.6 Adaptive Quadrature . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 812 10.7 Multidimensional Quadrature . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 820
III Integration of Ordinary Differential Equations 821 Goals 11 Single Step Methods 822 11.1 Initial value problems (IVP) for ODEs . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 822 11.2 Euler methods . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 840 11.3 Convergence of single step methods . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 849 11.4 Runge-Kutta methods . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 860 11.5 Stepsize control . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 870 12 Stiff Integrators 901 Knowledge of the fundamental algorithms in numerical mathematics Knowledge of the essential terms in numerical mathematics and the techniques used for the analysis of numerical algorithms Ability to choose the appropriate numerical method for concrete problems Ability to interpret numerical results Ability to implement numerical algorithms efficiently 12.1 Model problem analysis . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 903 12.2 Stiff problems . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 911 12.3 (Semi-)implicit Runge-Kutta methods . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 925 12.4 Differential-algebraic equations . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 936 Indispensable: Learning by doing (➔ exercises) 13 Structure Preservation 937 13.1 Dissipative Evolutions . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 937 13.2 Quadratic Invariants . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 937 Ôº ¼º¼ 13.3 Reversible Integrators . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 937 13.4 Symplectic Integrators . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 937 About this course Focus Books Ôº½½ ¼º¼ M. HANKE-BOURGEOIS, Grundlagen der Numerischen Mathematik und des Wissenschaftlichen Rechnens, Mathematische Leitfäden, B.G. Teubner, Stuttgart, 2002. C. MOLER, Numerical Computing with MATLAB, SIAM, Philadelphia, PA, 2004. N. HIGHAM, Accuracy and Stability of Numerical Algorithms, SIAM, Philadelphia, PA, 2 ed., 2002. L. TREFETHEN AND D. BAU, Numerical Linear Algebra, SIAM, Philadelphia, PA, 1997. P. DEUFLHARD AND A. HOHMANN, Numerische Mathematik. Eine algorithmisch orientierte Einführung, DeGruyter, Berlin, 1 ed., 1991. ✄ on algorithms (principles, scope, and limitations) ✄ on implementation (efficiency, stability) General information ✄ on numerical experiments (design and interpretation) no emphasis on Contents theory and proofs (unless essential for understanding of algorithms) hardware-related issues (e.g. parallelization, vectorization, memory access) Ôº½¼ ¼º¼ Lecturer: Prof. Ralf Hiptmair , HG G 58.2 , ☎ 044 632 3404 , hiptmair@sam.math.ethz.ch Assistants: Marcus Wittberger , CAB G 65.1, ☎ 044 632 7547 , marcus.wittberger@inf.ethz.ch Peter Kauf , HG J 46 , ☎ 044 632 6572 , peter.kauf@sam.math.ethz.ch Dr. Julia Schweitzer, HG G 53.2 , ☎ 044 632 3455 , julia.schweitzer@sam.math.ethz.ch Manfred Quack , CAB F 84 , ☎ 044 632 86 78, manfred.quack@inf.ethz.ch Ôº½¾ ¼º¼
Page 1: 2 Direct Methods for Linear Systems
Page 5 and 6: Extra questions for course evaluati
Page 7 and 8: 1.1.2 Matrices Matrices = two-dimen
Page 9 and 10: Remark 1.2.1 (Row-wise & column-wis
Page 11 and 12: 1.3 Complexity/computational effort
Page 13 and 14: Syntax of BLAS calls: The functions
Page 15 and 16: 4 { 5 a ssert ( this−>n==B. n &&
Page 17 and 18: 34 long r t 0 ; 35 bool bStarted ;
Page 19 and 20: Obviously, left multiplication with
Page 21 and 22: ❶: elimination step, ❷: backsub
Page 23 and 24: A direct way to LU-decomposition:
Page 25 and 26: Solution of LŨx = b: x ( ) 2ǫ = 1
Page 27 and 28: numerically equivalent ˆ= same res
Page 29 and 30: Code 2.4.8: Finding outeps in MATLA
Page 31 and 32: Terminology: Def. 2.5.5 introduces
Page 33 and 34: Example 2.5.5 (Instability of multi
Page 35 and 36: Note: sensitivity gauge depends on
Page 37 and 38: 6 for i =1:20 7 n = 2^ i ; m = n /
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Page 43 and 44: Envelope-aware LU-factorization: 0
Page 45 and 46: 0 20 40 60 80 100 0 20 0 20 0 20 De
Page 47 and 48: Evident: symmetry of Ã − bbT a 1
Page 49 and 50: 9 ylabel ( ’ { \ b f c o n d i t
Page 51 and 52: Mapping a ∈ K n to a multiple of
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Then store G ij (a,b) as triple (i,
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Recall: e i ˆ= i-th unit vector Ch
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Computation of Choleskyfactorizatio
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1 ∃ (partial) cyclic row permutat
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Definition 3.1.3 (Local and global
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Example 3.1.6 (quadratic convergenc
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k |x (k) − π| L 1−L |x (k) −
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(x (k) ) k∈N0 Cauchy sequence ➤
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Termination criterion for contracti
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Given x (k) ∈ I, next iterate :=
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secant method ( MATLAB implementati
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Assuming p = 1: p > 1: ∥ C ∥e (
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This is a simple computation: DG(x)
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k x (k) ǫ k := ‖x ∗ − x (k)
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Code 3.4.14: Damped Newton method (
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MATLAB-CODE: Broyden method (3.4.11
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Algorithm 4.1.3 (Steepest descent).
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Example 4.1.8 (Convergence of gradi
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4.2.1 Krylov spaces Definition 4.2.
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Remark 4.2.3 (A posteriori terminat
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10 figure ; view ([ −45 ,28]) ; m
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Idea: Solve Ax = b approximately in
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eplaced with κ(A) ! 4.4.2 Iteratio
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For circuit of Fig. 55 at angular f
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(Linear) generalized eigenvalue pro
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10 0 10 1 matrix size n d = eig(A)
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0 50 100 150 200 250 300 350 400 45
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1 2 3 k ρ (k) EV ρ (k) EW ρ (k)
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✬ ✩ ✬ ✩ Lemma 5.3.4 (Ncut a
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In other words, roundoff errors may
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Theory: linear convergence of (5.3.
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error in eigenvalue 10 0 10 −2 10
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✬ Residuals r 0 ,...,r m−1 gene
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Algebraic view of the Arnoldi proce
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5.5 Singular Value Decomposition Re
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Illustration: columns = ONB of Im(A
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✬ Theorem 5.5.7 (best low rank ap
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Reassuring: Remark 6.0.4 (Pseudoinv
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Consider the linear least squares p
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Goal: Euclidean distance of y ∈ R
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6.5 Non-linear Least Squares If (6.
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0 2 4 6 8 10 12 14 16 value of ∥
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Definition 7.1.1 (Discrete convolut
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Expand a 0 ,...,a n−1 and b 0 , .
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(7.2.2) is a simple consequence of
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Dominant coefficients of a signal a
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11 c = f f t ( y ) ; 12 13 figure (
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Two-dimensional trigonometric basis
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8 end 9 t1 = min ( t1 , toc ) ; 10
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Step II: for k =: rq + s, 0 ≤ r <
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MATLAB-CODE Sine transform function
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△ Example 7.5.2 (Linear regressio
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[23, Ch. IX] presents the topic fro
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Code 8.1.3: Horner scheme, polynomi
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1.2 equality in (8.2.10) for y := (
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ecursive definition: p i (t) ≡ y
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a 1 = y 1 − a 0 t 1 − t 0 = y 1
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Observations: Strong oscillations o
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−1 −0.8 −0.6 −0.4 −0.2 0
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8.5.3 Chebychev interpolation: comp
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9.1 Shape preserving interpolation
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9.2.2 Piecewise polynomial interpol
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Interpolation of the function: f(x)
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2 % Plot convergence of approximati
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9.4 Splines Definition 9.4.1 (Splin
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➤ Linear system of equations with
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y i+1 t i−1 t i t i+1 y i−1 y i
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35 h= d i f f ( t ) ; 36 d e l t a
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1 0.9 Function f 1 0.9 Function f
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f 10 Numerical Quadrature Numerical
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f • n = 1: Trapezoidal rule • n
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For fixed local n-point quadrature
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Equidistant trapezoidal rule (order
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Heuristics: A quadrature formula ha
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20 Zeros of Legendre polynomials in
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|quadrature error| 10 0 Numerical q
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f f • line 9: estimate for global
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Model: autonomous Lotka-Volterra OD
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Example 11.1.6 (Transient circuit s
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y y 1 y(t) y 0 t t 0 t 1 Fig. 133 e
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for discrete evolution defined on I
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⇒ if y ∈ C 2 ([0, T]), then y(t
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The implementation of an s-stage ex
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Example 11.5.2 (Blow-up). ✸ toler
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However, it would be foolish not to
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0 0.2 0.4 0.6 0.8 1 1.2 1.4 1.6 1.8
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4 3 2 abstol = 0.000010, reltol = 0
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✸ ✸ Motivated by the considerat
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0 1 2 3 4 5 6 u(t),v(t) 0.01 0.008
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MATLAB-CODE : Explicit integration
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Shorthand notation for Runge-Kutta
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13 Structure Preservation 13.1 Diss
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[18] G. GOLUB AND C. VAN LOAN, Matr
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linear in Gauss-Newton method, 538
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Chebychev nodes, 678 double, 634 fo
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x∗ n y ˆ= discrete periodic conv
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Gaussian elimination with pivoting
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