Introduction to Simulation - Lecture 11 Newton-Method Case Study – Simulating An Image Smoother Jacob White Thanks to Deepak Ramaswamy, Andrew Lumsdaine, Jaime Peraire, Michal Rewienski, and Karen Veroy Outline • Image Segmentation Example – Large nonlinear system of equations – Formulation? Continuation? Linear Solver? • Newton Iterative Methods – Accuracy Theorem – Matrix-free idea • Gershgorin Circle Theorem – Lends insight on iterative method convergence • Arc-Length Continuation SMA-HPC ©2003 MIT Simple Smoother Smoothed Output SMA-HPC ©2003 MIT Circuit Diagram Image Input Nonlinear Smoother SMA-HPC ©2003 MIT Circuit Diagram Nonlinear Smoother i v SMA-HPC ©2003 MIT Nonlinear Resistor Constitutive Equation 1 e Dv E J D v 2 Nonlinear Smoother Nonlinear Resistor Constitutive Equation Current Voltage SMA-HPC ©2003 MIT Nonlinear Smoother SMA-HPC ©2003 MIT Nonlinear Resistor Constitutive Equation Varying Beta Questions • What Equation Formulation? – Node-Branch or Nodal? • What Newton Method? – Standard, Damped, or Continuation? – What kind of Continuation? • What Linear Solver? – Sparse Gaussian Elimination or Krylov? – Will Krylov converge rapidly? – How will formulation, Newton choices interact? SMA-HPC ©2003 MIT Basic Algorithm Newton-Iterative Method Nested Iteration x 0 = Initial Guess, k 0 Repeat { Compute F x k , J F x k Solve (Using GCR) J F x k 'x k 1 F x k x k 1 k for 'x k 1 x k 'x k 1 k 1 } Until 'x k 1 , F x k 1 small enough How Accurately Should We Solve with GCR? SMA-HPC ©2003 MIT Newton-Iterative Method Basic Algorithm Solve Accuracy Required After l steps of GCR k 1,l ' x Newton delta from l GCR Steps dE J F xk If a) b) c) J F1 x k F xk k ,l rN GCR Residual Inverse is bounded JF x JF y d A x y Derivative is Lipschitz Cont 2 k ,l k r d C F x More accurate near convergence Then The Newton-Iterative Method Converges Quadratically SMA-HPC ©2003 MIT Newton-Iterative Method Basic Algorithm Convergence Proof By definition of the Newton-Iterative Method 1 JF x F x k r k ,l Approximate Newton Direction Multidimensional Mean Value Lemma A 2 F x F y J F y x y d x y 2 x k 1 k k x Combining F x k 1 F x J x k SMA-HPC ©2003 MIT k F 1 F x r ªJ x ¬« F k k k ,l º d A J xk »¼ 2 F 1 F x r k k ,l 2 Newton-Iterative Method Basic Algorithm Convergence Proof Cont. Canceling the Jacobian and its inverse on the previous slide F x k 1 F x F x r k k k ,l A d J F xk 2 1 F x r k Combining terms and using the triangle inequality F x k 1 A d J F xk 2 1 F x r k k ,l 2 r k ,l Using the Jacobian Bound and the triangle inequality F x SMA-HPC ©2003 MIT k 1 d E 2A 2 F x k 2 § E 2 A r k ,l ¨1 ¨ 2 © · ¸ r k ,l ¸ ¹ k ,l 2 Newton-Iterative Method Basic Algorithm Convergence Proof Cont. II Using the bound on the iterative solver error F x k 1 2 d E A 2 F x k § E 2A F x k 2 ¨¨1 2 ¨ © 2 · ¸ C F xk ¸ ¸ ¹ 2 And combining terms yields F x k 1 SMA-HPC ©2003 MIT 2 § 2 § 2 k · · E F x A ¨E A ¨ ¸ C ¸ F xk d¨ ¨1 ¸ ¸ 2 2 ¨ ¸ ¸ ¨ © ¹ ¹ © Easily Bounded 2 Newton-Iterative Method Matrix-Free Idea Consider Applying GCR to The Newton Iterate Equation J F x k 'x k 1 F xk At each iteration GCR forms a matrix-vector product JF x k l p | 1 H F x k H pl F x k It is possible to use Newton-GCR without Jacobians! Need to Select a good H SMA-HPC ©2003 MIT Gerschgorin Circle Theorem Given a matrix M Theorem Statement ª m1,1 " m1, N º « » % # » « # « mN ,1 " mN , N » ¬ ¼ For each eigenvalue of M there exists an i, 1< i < N such that O mi ,i d ¦ mi , j j zi We say that the eigenvalues are contained in the union of the Gerschgorin circles SMA-HPC ©2003 MIT Gerschgorin Circle Theorem Theorem Statement Picture of Gerschgorin Im O ith circle radius ¦m Eigenvalues are in the union of all the disks i, j j zi Re O ith circle center SMA-HPC ©2003 MIT mi ,i Gerschgorin Circle Theorem 1 3 2 N SMA-HPC ©2003 MIT Grounded Resistor Line Nodal Matix 4 ª2.1 1 º « 1 2.1 » « » « % 1» « » 1 2.1¼ ¬ M N 1 Nodal Equation Form N Gerschgorin Circle Theorem 1 2 N SMA-HPC ©2003 MIT 3 Resistor Line Nodal Matix 4 N 1 ª 2 1 º «1 2 » « » Nodal « % 1» Equation « » Form 1 2 ¼ ¬ M N Basic Concepts Continuation Schemes General Setting Solve F x O , O 0 where: a) F x 0 , 0 0 is easy to solve b) F x 1 ,1 F x Starts the continuation Ends the continuation c) x O is sufficiently smooth Hard to insure! x O Dissallowed 0 SMA-HPC ©2003 MIT 1 O Continuation Schemes Solve F x 0 , 0 , x O prev GO =0.01, O GO Basic Concepts Template Algorithm x 0 While O 1 { x 0 O x O prev Try to Solve F x O , O 0 with Newton } If Newton Converged x O prev x O , O O GO , GO Else 1 GO GO , O O prev GO 2 SMA-HPC ©2003 MIT 2GO Jacobian Altering Scheme Continuation Schemes Description F x O , O O F x O 1 O x O Observations O =0 F x 0 , 0 x 0 0 wF x 0 , 0 wx I O =1 F x 1 ,1 F x 1 wF x 0 , 0 wF x 1 wx wx SMA-HPC ©2003 MIT Problem is easy to solve and Jacobian definitely nonsingular. Back to the original problem and original Jacobian Continuation Schemes Solve F x 0 , 0 , x O prev GO =0.01, O GO Jacobian Altering Scheme Basic Algorithm x 0 While O 1 { x 0 O x O prev ? Try to Solve F x O , O 0 with Newton } If Newton Converged x O prev x O , O O GO , GO Else 1 GO GO , O O prev GO 2 SMA-HPC ©2003 MIT 2GO Continuation Schemes Jacobian Altering Scheme Still can have problems xO Must switch back to increasing lambda Arc-length steps 0 1 lambda steps SMA-HPC ©2003 MIT Must switch from increasing to decreasing lambda O Continuation Schemes Jacobian Altering Scheme Arc-length Steps? xO arc-length | Arc-length steps 0 1 2 'x GO O Must Solve For Lambda F x, O 0 2 2 2 O O x x O arc prev prev 2 SMA-HPC ©2003 MIT 0 2 Jacobian Altering Scheme Continuation Schemes Arc-length steps by Newton ª wF x k , O k « wx « « k 2 x x O prev «¬ T ª « « Ok O prev «¬ SMA-HPC ©2003 MIT k k wF x , O º » ª x k 1 x k º wO » « k 1 k» » ¬O O ¼ k 2 O O prev » ¼ x O k k F x ,O 2 x k prev 2 2 º » arc 2 »» ¼ Jacobian Altering Scheme Continuation Schemes Arc-length Turning point x O What happens here? 0 Upper left-hand Block is singular 1 O SMA-HPC ©2003 MIT ª wF x k , O k « wx « « k x O prev 2 x «¬ T wF x k , O k º » wO » » k 2 O O prev » ¼ Summary • Image Segmentation Example – Large nonlinear system of equations – Examined issues in selecting numerical methods • Newton Iterative Methods – Do not need to solve iteration equations exactly • Gershgorin Circle Theorem – Sometimes gives useful bounds on eigenvalues • Arc-Length Continuation SMA-HPC ©2003 MIT