Numerical Data Fitting in Dynamical Systems: A Practical Introduction with Applications and Software

Front Cover
Springer Science & Business Media, Dec 31, 2002 - Computers - 396 pages
Real life phenomena in engineering, natural, or medical sciences are often described by a mathematical model with the goal to analyze numerically the behaviour of the system. Advantages of mathematical models are their cheap availability, the possibility of studying extreme situations that cannot be handled by experiments, or of simulating real systems during the design phase before constructing a first prototype. Moreover, they serve to verify decisions, to avoid expensive and time consuming experimental tests, to analyze, understand, and explain the behaviour of systems, or to optimize design and production. As soon as a mathematical model contains differential dependencies from an additional parameter, typically the time, we call it a dynamical model. There are two key questions always arising in a practical environment: 1 Is the mathematical model correct? 2 How can I quantify model parameters that cannot be measured directly? In principle, both questions are easily answered as soon as some experimental data are available. The idea is to compare measured data with predicted model function values and to minimize the differences over the whole parameter space. We have to reject a model if we are unable to find a reasonably accurate fit. To summarize, parameter estimation or data fitting, respectively, is extremely important in all practical situations, where a mathematical model and corresponding experimental data are available to describe the behaviour of a dynamical system.
 

Contents

INTRODUCTION
1
MATHEMATICAL FOUNDATIONS
7
12 Convexity and Constraint Qualification
9
13 Necessary and Sufficient Optimality Criteria
10
2 Sequential Quadratic Programming Methods
14
22 Line Search and QuasiNewton Updates
16
23 Convergence
18
24 Systems of Nonlinear Equations
20
55 Integration Areas and Transition Conditions
162
56 Switching Points
167
57 Constraints
169
6 Optimal Control Problems
175
NUMERICAL EXPERIMENTS
181
1 Test Environment
182
2 Numerical Pitfalls
183
22 Slow Convergence
186

3 Least Squares Methods
23
32 GaussNewton and Related Methods
24
33 Solution of Least Squares Problems by SQP Methods
27
34 Constrained Least Squares Optimization
31
35 Alternative Norms
33
4 Numerical Solution of Ordinary Differential Equations
38
42 Implicit Solution Methods
40
43 Sensitivity Equations
43
44 Internal Numerical Differentiation
46
5 Numerical Solution of Differential Algebraic Equations
48
52 Index of a Differential Algebraic Equation
50
53 Index Reduction and Drift Effect
52
54 Projection Methods
55
55 Consistent Initial Values
60
56 Implicit Solution Methods
62
6 Numerical Solution of OneDimensional Partial Differential Equations
66
62 Some Special Classes of Equations
68
63 The Method of Lines
74
64 Partial Differential Algebraic Equations
78
65 Difference Formulae
81
66 Polynomial Interpolation
84
67 Upwind Formulae for Hyperbolic Equations
85
68 Essentially NonOscillatory Schemes
93
69 Systems of Hyperbolic Equations
98
610 Sensitivity Equations
101
7 Laplace Transforms
104
72 Numerical BackTransformation
107
8 Automatic Differentiation
109
82 Reverse Mode
112
9 Statistical Interpretation of Results
115
DATA FITTING MODELS
119
1 Explicit Model Functions
120
2 Laplace Transforms
124
3 Steady State Equations
126
4 Ordinary Differential Equations
128
42 Differential Algebraic Equations
129
43 Switching Points
131
44 Constraints
137
45 Shooting Method
141
46 Boundary Value Problems
146
47 Variable Initial Times
148
5 Partial Differential Equations
151
52 Partial Differential Algebraic Equations
153
53 Flux Functions
154
54 Coupled Ordinary Differential Algebraic Equations
157
23 Badly Scaled Data and Parameters
189
24 NonIdentiflability of Models
192
25 Errors in Experimental Data
195
26 Inconsistent Constraints
197
27 NonDifferentiable Model Functions
201
28 Oscillating Model Functions
205
3 Testing the Validity of Models
208
32 Statistical Analysis
210
33 Constraints
212
4 Performance Evaluation
216
42 Individual Numerical Results
218
CASE STUDIES
231
2 ReceptorLigand Binding Study
236
3 Robot Design
239
4 Multibody System of a Truck
243
5 Binary Distillation Column
248
6 Acetylene Reactor
252
7 Transdermal Application of Drugs
257
8 Groundwater Flow
263
9 Cooling a Hot Strip Mill
266
10 Drying Maltodextrin in a Convection Oven
269
11 Fluid Dynamics of Hydro Systems
273
12 Horn Radiators for Satellite Communication
278
Software Installation
285
3 Packing List
286
Test Examples
287
1 Explicit Model Functions
288
2 Laplace Transforms
295
3 Steady State Equations
296
4 Ordinary Differential Equations
299
5 Differential Algebraic Equations
317
6 Partial Differential Equations
320
7 Partial Differential Algebraic Equations
331
The PCOMP Language
335
Generation of Fortran Code
345
12 Input of Laplace Transformations
346
13 Input of Systems of Steady State Equations
347
14 Input of Ordinary Differential Equations
348
15 Input of Differential Algebraic Equations
349
16 Input of TimeDependent Partial Differential Equations
350
17 Input of Partial Differential Algebraic Equations
352
2 Execution of Generated Code
355
References
359
Index
387
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