1. Linear Systems Iterative Solutions CSE 541 Roger Crawfis

2. Sparse Linear Systems Computational Science deals with the simulation of natural phenomenon, such as weather, blood flow, impact collision, earthquake response, etc. To simulate these issues such as heat transfer, electromagnetic radiation, fluid flow and shock wave propagation need to be taken into account. Combining initial conditions with general laws of physics (conservation of energy and mass), a model of these may involve a Partial Differential Equation (PDE).

3. Example PDE’s The Wave equation: 1D:  2  /  t 2 = -c 2  2  /  x 2 3D:  2  /  t 2 = -c 2  2  Note:  2  =  2  /  x 2 +  2  /  y 2 +  2  /  z 2  (x,y,z,t) is some continuous function of space and time (e.g., temperature).

4. Example PDE’s No changes over time (steady state): Laplace’s Equation: This can be solved for very simple geometric configurations and initial conditions. In general, we need to use the computer to solve it.

5. Example PDE’s Second derivatives:  Up  Down  Left  right  middle  2  = (  Left +  Right +  Up +  Down – 4  Middle ) / h 2 = 0

6. Finite Differences Fundamentally we are taking derivatives: Grid spacing or step size of h. Finite-Difference method – uses a regular grid.

7. Finite Differences A very simple problem: Find the electrostatic potential inside a box whose sides are at a given potential Set up a n by n grid on which the potential is defined and satisfies Laplace’s Equation:

8. Linear System n2n2 n

9. 3D Simulations n3n3 nn2n2

10. Gaussian Elimination What happens to these banded matrices when Gaussian Elimination is applied? Matrix only has about 7n 3 non-zero elements. Matrix size = N 2, where N=n 3 or n 6 elements Gaussian Elimination on these suffers from fill. The forward elimination phase will produce n 2 non-zero elements per row, or n 5 non- zero elements.

11. Memory Costs Example n=300 Memory cost: 189,000,000 = 189*10 6 elements Floats => 756MB Doubles => 1.4GB Full matrix would be: 7.29*10 14 ! Gaussian Elimination Floats => 1.9*10 13 MB With n=300, simulating weather for the state of Ohio would have samples > 1km apart. Remember, this is h in central differences.

12. Solutions for Sparse Matrices Need to keep memory (and computation) low. These types of problems motivate the Iterative Solutions for Linear Systems. Iterate until convergence.

13. Jacobi Iteration One of the easiest splitting of the matrix A is A=D-M, where D is the diagonal elements of A. Ax=b Dx-Mx=b Dx = Mx+b x (k) =D -1 Mx (k-1) +D -1 b Trivial to compute D -1.

14. Jacobi Iteration Another way to understand this is to treat each equation separately: Given the i th equation, solve for x i. Assume you know the other variables. Use the current guess for the other variables.

15. Jacobi iteration

16. Jacobi Iteration Cute, but will it work? Algorithms, even mathematical ones, need a mathematical framework or analysis. Let’s first look at a simple example.

17. Example system: Initial guess: Algorithm: Jacobi Iteration - Example

18. 1 st iteration: 2 nd iteration: Jacobi Iteration - Example

19. x (3) = 0.427734375 y (3) = 1.177734375 z (3) = 2.876953125 x (4) = -0.351 y (4) = 0.620 z (4) = 1.814 Actual Solution: x =0 y =1 z =2

20. Jacobi Iteration Questions: 1. How many iterations do we need? 2. What is our stopping criteria? 3. Is it faster than applying Gaussian Elimination? 4. Are there round-off errors or other precision and robustness issues?

21. Jacobi Method - Implementation while( !converged ) { for (int i=0; i<N; i++) { // For each equation double sum = b[i]; for (int j=0; j<N; j++) { // Compute new xi if( i <> j ) sum += -A(i,j)x(j); } temp[i] = sum / A[i,i]; } // Test for convergence … x = temp; } Complexity: Each Iteration: O(N 2 ) Total: O(MN 2 )

22. Jacobi Method - Complexity while( !converged ) { for (int i=0; i<N; i++) { // For each equation double sum = b[i]; foreach (double element in nonZeroElements[i]) { // Compute new xi if( i <> j ) sum += -A(i,j)*x(j); } temp[i] = sum / A[i,i]; } // Test for convergence … x = temp; } Complexity: Each Iteration: O(pN) Total: O(MpN) p= # non-zero elements For our 2D Laplacian Equation, p=4 N=n 2 with n=300 => N=90,000

23. Jacobi Iteration Cute, but does it work for all matrices? Does it work for all initial guesses? Algorithms, even mathematical ones, need a mathematical framework or analysis. We still do not have this.

24. (D+L)x (k) =b-Ux (k-1) Gauss-Seidel Iteration Split the matrix A into three parts A=D+L+U, where D is the diagonal elements of A, L is the lower triangular part of A and U is the upper part. Ax=b Dx+Lx+Ux=b (D+L)x = b-Ux

25. Gauss-Seidel Iteration Another way to understand this is to again treat each equation separately: Given the i th equation, solve for x i. Assume you know the other variables. Use the most current guess for the other variables.

26. Gauss-Seidel Iteration Looking at it more simply: Last iteration This iteration

27. Gauss-Seidel Iteration Questions: 1. How many iterations do we need? 2. What is our stopping criteria? 3. Is it faster than applying Gaussian Elimination? 4. Are there round-off errors or other precision and robustness issues?

28. Gauss-Seidel - Implementation while( !converged ) { for (int i=0; i<N; i++) { // For each equation double sum = b[i]; foreach (double element in nonZeroElements[i]) { if( i <> j ) sum += -A(i,j)x(j); } x [i] = sum / A[i,i]; } // Test for convergence … temp = x; } Complexity: Each Iteration: O(pN) Total: O(MpN) p= # non-zero elements Differences from Jacobi

29. Convergence Jacobi Iteration can be shown to converge from any initial guess if A is strictly diagonally dominant. Diagonally dominant Strictly Diagonally dominant

30. Convergence Gauss-Seidel can be shown to converge is A is symmetric positive definite.

31. Convergence - Jacobi Consider the convergence graphically for a 2D system: Initial guess Equation 1 Equation 2 x=… y=… x=… y=…

32. Convergence - Jacobi What if we swap the order of the equations? Initial guess Equation 2 Equation 1 x=… Not diagonally dominant Same set of equations!

33. Diagonally Dominant What does diagonally dominant mean for a 2D system? 10x+y=12 => high-slope (more vertical) x+10y=21 => low-slope (more horizontal) Identity matrix (or any diagonal matrix) would have the intersection of a vertical and a horizontal line. The b vector controls the location of the lines.

34. Convergence – Gauss-Seidel Initial guess Equation 1 Equation 2 x=… y=… x=… y=…

35. Convergence - SOR Successive Over-Relaxation (SOR) just adds an extrapolation step. w = 1.3 implies go an extra 30% Initial guess Equation 1 Equation 2 x=… y=… Extrapolation x=… y=… Extrapolation This would Extrapolation at the very end (mix of Jacobi and Gauss-Seidel.

36. Convergence - SOR SOR with Gauss-Seidel Initial guess Equation 1 Equation 2 x=… y=… x=… Extrapolation in bold