AMSC/CMSC 660, Fall 2001

Scientific Computing I,

TuTh 2-3:15 pm, MTH 0103

Instructor:
Prof. Jian-Guo Liu
MTH 3313, 5-5148, Or CSS 4311, 5-4831, jliu@math.umd.edu, http://www.math.umd.edu/~jliu
Office Hours: TuTh 1:00--2:00 (or by appointment)

Prerequisite:
AMSC/MAPL 460 or AMSC/MAPL 466, or knowledge of basic numerical analysis (linear equations, nonlinear equations, integration, interpolation) with permission of instructor. Knowledge of C or Fortran or Matlab.
Course Description:
Monte Carlo simulation, numerical linear algebra, nonlinear systems and continuation method, optimization, ordinary differential equations. Fundamental techniques in scientific computation with an introduction to the theory and software for each topic.

Homework Assignments:
Assignment #1, due Sep 13
Assignment #2, due Oct 16
Assignment #3, due Nov 8
Assignment #4, due Dec 11 You may use the famous Lena image, lena.bmp , or more challenging 'Barbara', barbara512.bmp , in this set of homework. They are in bmp format so they can be loaded in matlab.
VFFTPACK.f

Course Catalog Listing, Fall 2001

Class Notes and Reference:
Class Notes: Chapter One - Scientific Computing Fundamentals
Class Notes: Chapter Two - Optimization
Class Notes: Chapter Three - Fast Fourier Transforms, Wavelets, and their Applications
DCT and Wavelet Transforms Applications in Image and Video Compression Presented by Andres Kwasinski
Numerical Recipes in Fortran or in C: the art of scientific computing, Cambridge University Press
J.M. Hammersley, D.C. Handscomb: Monte Carlo Methods (The classic on Monte Carlo);
A. Papoulis: Probability, Random Variables and Stochastic Processes
Luenberger: Linear and nonlinear programming;
Notes by John Benedetto on Wavelet Theory and Applications
M.W. Frazier : An introduction to wavelets through linear algebra;
M.H. Hayes: Statistical digital signal processing and modeling;
Barrett et al.: Templates for the Solution of Linear Systems (Postscript)
G. J. Borse: Numerical Methods with Matlab;

Other reference:
M.T. Heath, Scientific Computing, An Introductory Survey, Postscript 1, 2 , 3 , 4 , 5 , 6 , 7 , 8 , 9 , 10 , 11 , 12 , 13 ;
Collection of tutorials by Comp.Sci.Educ.Proj.:, Optimization, Monte Carlo Methods (ps)
George, Liu: Computer Solution of Large Sparse Positive Definite Systems;
Dennis, Schnabel: Numerical Methods for Unconstrained Optimization and Nonlinear Equations ;
Golub, Van Loan: Matrix Computations;
J. Demmel: Sparse Gaussian Elimination
Ueberhuber: Numerical Methods 1,2, Springer;
Kahaner, Moler, Nash: Numerical Methods and Software;
G.S. Fishman: Monte Carlo, concepts, algorithms, and applications;
Bracewell: The Fourier Transform and Its Applications;
Chapman: Signal processing in electronic communications;
Allgower, Georg: Numerical Continuation Methods;
R. Seydel: Practical Bifurcation and Stability Analysis
R. Fletcher: Practical Methods of Optimization;
``Optimization Tree'': Overview of different types of optimization problems and algorithms;
Nonlinear Programming FAQ;
Reference for Matlab:
Matlab tutorial
Reference for C:
1. The C programming language;
2. C a reference manual, Samuel p. Harbison, Guy L. Steele Jr.;
C tutorial
Reference for C++:
1. The C++ programming language, 3ed, Bjarne Stroustrup (excellent reference book by the creator of C++, but not suitable for learning C++);
2. C++ primer, Lippman, Stanley B. Lippman, Josee Lajoie
C++ tutorial
Reference for Java:
1. The java programming language, 3ed, Ken Arnold, James Gosling, David Holmes;
2. Java in a nutshell, 3ed, David Flanagan;
3. Java How to Programm, 3ed, Harvey Deitel
Reference for Fortran:
Fortran tutorial

Web Links:


Syllabus:

General
basic numerical ideas and programming practice: sources of error, conditioning and stability, computer arithmetic, numerical resolution, order of accuracy, accuracy check;
numerical differentiation, intergation, and interpolation, error expansions and Richardson extrapolation.
Monte Carlo simulations
basic probability and statiscs: random variables, probability density function (pdf), cumulative distribution function (cdf), mean, variance, standard deviation, correlation, variance estimation, confidence intervals, central limit theorem. Markov process, etc;
basic Monte-Carlo simulation: Pseudo random number generators, generation of nonuniformly distributed numbers, Box-Muller methods for normals, Brownian motion simulation and application to finance, Monte-Carlo integration, rejection methods, statistical analysis of simulation data and error bars;
variance reduction: stratified sampling, importance sampling, control variates, and antithetic variates
Numerical Linear Algebra
linear systems: estimation of errors, implementation using Matlab, BLAS and block algorithms in LAPACK;
brief overview of least squares problem, data fitting, eigenvalue problems, singular value decomposition
Optimization and Nonlinear systems
unconstrained optimization: Newton's method, line searches (Golden section search, steepest descent)
Global optimization; safeguards in Newton's methods,
quasi-Newton methods, Davidson-Fletcher-Powell(DFP) method, Broyden, Fletcher, Gordearb and Shannd(BFGS) method, Broyden family,
nonlinear conjugate gradient method (Fletcher-Beeves, Polak-Ribiere), Memoryless quasi-Newton methods,
constrained optimization; quasi-Newton methods
System of nonlinear equations, Broyden method;
bifurcations: theorem and numerical treatment stable and unstable branches
Ordinary Differential Equations
explicit and implicit methods, basic facts about stability and convergence;
GEAR-like packages. applications: combustion