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406 Chapter 10. Minimization or Maximization of Functions In principle, we might simply search for a zero of the derivative, ignoring the function value information, using a root finder like rtflsp or zbrent (§§9.2–9.3). It doesn’t take long to reject that idea: How do we distinguish maxima from minima? Where do we go from initial conditions where the derivatives on one or both of the outer bracketing points indicate that “downhill” is in the direction out of the bracketed interval? We don’t want to give up our strategy of maintaining a rigorous bracket on the minimum at all times. The only way to keep such a bracket is to update it using function (not derivative) information, with the central point in the bracketing triplet always that with the lowest function value. Therefore the role of the derivatives can only be to help us choose new trial points within the bracket. One school of thought is to “use everything you’ve got”: Compute a polynomial of relatively high order (cubic or above) that agrees with some number of previous function and derivative evaluations. For example, there is a unique cubic that agrees with function and derivative at two points, and one can jump to the interpolated minimum of that cubic (if there is a minimum within the bracket). Suggested by Davidon and others, formulas for this tactic are given in [1]. We like to be more conservative than this. Once superlinear convergence sets in, it hardly matters whether its order is moderately lower or higher. In practical problems that we have met, most function evaluations are spent in getting globally close enough to the minimum for superlinear convergence to commence. So we are more worried about all the funny “stiff” things that high-order polynomials can do (cf. Figure 3.0.1b), and about their sensitivities to roundoff error. This leads us to use derivative information only as follows: The sign of the derivative at the central point of the bracketing triplet (a, b, c) indicates uniquely whether the next test point should be taken in the interval (a, b) or in the interval (b, c). The value of this derivative and of the derivative at the second-best-so-far point are extrapolated to zero by the secant method (inverse linear interpolation), which by itself is superlinear of order 1.618. (The golden mean again: see [1], p. 57.) We impose the same sort of restrictions on this new trial point as in Brent’s method. If the trial point must be rejected, we bisect the interval under scrutiny. Yes, we are fuddy-duddieswhen it comes to making flamboyant use of derivative information in one-dimensional minimization. But we have met too many functions whose computed “derivatives” don’t integrate up to the function value and don’t accurately point the way to the minimum, usually because of roundoff errors, sometimes because of truncation error in the method of derivative evaluation. You will see that the following routine is closely modeled on brent in the previous section. #include #include "nrutil.h" #define ITMAX 100 #define ZEPS 1.0e-10 #define MOV3(a,b,c, d,e,f) (a)=(d);(b)=(e);(c)=(f); float dbrent(float ax, float bx, float cx, float (*f)(float), float (*df)(float), float tol, float *xmin) Given a function f and its derivative function df, and given a bracketing triplet of abscissas ax, bx, cx [such that bx is between ax and cx, andf(bx) is less than both f(ax) and f(cx)], this routine isolates the minimum to a fractional precision of about tol using a modification of Brent’s method that uses derivatives. The abscissa of the minimum is returned as xmin, and Sample page from NUMERICAL RECIPES IN C: THE ART OF SCIENTIFIC COMPUTING (ISBN 0-521-43108-5) Copyright (C) 1988-1992 by Cambridge University Press. Programs Copyright (C) 1988-1992 by Numerical Recipes Software. Permission is granted for internet users to make one paper copy for their own personal use. Further reproduction, or any copying of machinereadable files (including this one) to any server computer, is strictly prohibited. To order Numerical Recipes books or CDROMs, visit website http://www.nr.com or call 1-800-872-7423 (North America only), or send email to directcustserv@cambridge.org (outside North America).
10.3 One-Dimensional Search with First Derivatives 407 the minimum function value is returned as dbrent, the returned function value. { int iter,ok1,ok2; Will be used as flags for whether pro- float a,b,d,d1,d2,du,dv,dw,dx,e=0.0; posed steps are acceptable or not. float fu,fv,fw,fx,olde,tol1,tol2,u,u1,u2,v,w,x,xm; Comments following will point out only differences from the routine brent. Read that routine first. a=(ax < cx ? ax : cx); b=(ax > cx ? ax : cx); x=w=v=bx; fw=fv=fx=(*f)(x); dw=dv=dx=(*df)(x); All our housekeeping chores are dou- for (iter=1;iter 0.0 && dx*d1 0.0 && dx*d2 = 0.0 ? a-x : b-x)); } } else { d=0.5*(e=(dx >= 0.0 ? a-x : b-x)); } if (fabs(d) >= tol1) { u=x+d; fu=(*f)(u); } else { u=x+SIGN(tol1,d); fu=(*f)(u); if (fu > fx) { If the minimum step in the downhill *xmin=x; direction takes us uphill, then return fx; we are done. Sample page from NUMERICAL RECIPES IN C: THE ART OF SCIENTIFIC COMPUTING (ISBN 0-521-43108-5) Copyright (C) 1988-1992 by Cambridge University Press. Programs Copyright (C) 1988-1992 by Numerical Recipes Software. Permission is granted for internet users to make one paper copy for their own personal use. Further reproduction, or any copying of machinereadable files (including this one) to any server computer, is strictly prohibited. To order Numerical Recipes books or CDROMs, visit website http://www.nr.com or call 1-800-872-7423 (North America only), or send email to directcustserv@cambridge.org (outside North America).
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Numerical Recipes in C The Art of S
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Contents Preface to the Second Edit
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Contents vii 7.2 Transformation Met
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Contents ix 15.6 Confidence Limits
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Preface to the Second Edition Our a
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Preface to the Second Edition xiii
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Preface to the First Edition xv lin
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Types of License Offered License In
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Computer Programs by Chapter and Se
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Chapter 1. Preliminaries 1.0 Introd
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1.0 Introduction 3 Tested Machines
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1.1 Program Organization and Contro
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true 1.1 Program Organization and C
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} 1.2 Some C Conventions for Scient
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1.2 Some C Conventions for Scientif
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(a) **m (b) **m 1.2 Some C Conventi
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= 0 3 = 0 = 0 = 0 = 0 = 0 1 ⁄ 2 1
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1.3 Error, Accuracy, and Stability
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2.0 Introduction 33 Accumulated rou
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2.0 Introduction 35 between singula
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2.1 Gauss-Jordan Elimination 37 Eli
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2.1 Gauss-Jordan Elimination 39 pre
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2.2 Gaussian Elimination with Backs
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2.3 LU Decomposition and Its Applic
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a b c d 2.3 LU Decomposition and It
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} 2.3 LU Decomposition and Its Appl
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2.3 LU Decomposition and Its Applic
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2.4 Tridiagonal and Band Diagonal S
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2.4 Tridiagonal and Band Diagonal S
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δx 2.5 Iterative Improvement of a
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2.5 Iterative Improvement of a Solu
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2.6 Singular Value Decomposition 59
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SVD of a Square Matrix 2.6 Singular
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solutions of A ⋅ x = d null space
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} 2.6 Singular Value Decomposition
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2.7 Sparse Linear Systems 2.7 Spars
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2.7 Sparse Linear Systems 73 prescr
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2.7 Sparse Linear Systems 75 Here
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2.7 Sparse Linear Systems 77 Finall
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2.7 Sparse Linear Systems 79 In row
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} 2.7 Sparse Linear Systems 81 jp=i
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2.7 Sparse Linear Systems 83 Matrix
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2.7 Sparse Linear Systems 85 while
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p=dvector(1,n); pp=dvector(1,n); r=
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} 2.7 Sparse Linear Systems 89 void
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2.8 Vandermonde Matrices and Toepli
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2.9 Cholesky Decomposition 97 If yo
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2.10 QR Decomposition 99 The standa
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#include #include "nrutil.h" 2.10
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in terms of which 2.11 Is Matrix In
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Chapter 3. Interpolation and Extrap
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(a) (b) 3.0 Introduction 107 Figure
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3.1 Polynomial Interpolation and Ex
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3.2 Rational Function Interpolation
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3.3 Cubic Spline Interpolation 113
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3.3 Cubic Spline Interpolation 115
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3.4 How to Search an Ordered Table
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} 3.4 How to Search an Ordered Tabl
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#include "nrutil.h" 3.5 Coefficient
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3.6 Interpolation in Two or More Di
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} int j; float *ymtmp; 3.6 Interpol
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3.6 Interpolation in Two or More Di
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Chapter 4. Integration of Functions
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4.1 Classical Formulas for Equally
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#define FUNC(x) ((*func)(x)) 4.2 El
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4.2 Elementary Algorithms 139 trapz
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4.4 Improper Integrals 141 which co
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4.4 Improper Integrals 143 The rout
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4.4 Improper Integrals 145 If you n
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4.5 Gaussian Quadratures and Orthog
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Gauss-Legendre: Gauss-Chebyshev: Ga
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} 4.5 Gaussian Quadratures and Orth
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4.6 Multidimensional Integrals 161
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y 4.6 Multidimensional Integrals 16
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Chapter 5. Evaluation of Functions
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5.1 Series and Their Convergence 16
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5.2 Evaluation of Continued Fractio
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5.2 Evaluation of Continued Fractio
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5.3 Polynomials and Rational Functi
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5.3 Polynomials and Rational Functi
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5.4 Complex Arithmetic 177 Actually
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5.5 Recurrence Relations and Clensh
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5.5 Recurrence Relations and Clensh
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5.6 Quadratic and Cubic Equations 1
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5.6 Quadratic and Cubic Equations 1
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5.7 Numerical Derivatives 187 With
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} 5.7 Numerical Derivatives 189 The
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Chebyshev polynomials 1 .5 0 −.5
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} 5.8 Chebyshev Approximation 193 f
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5.9 Derivatives or Integrals of a C
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5.10 Polynomial Approximation from
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5.11 Economization of Power Series
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5.12 Padé Approximants 201 then R(
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5.12 Padé Approximants 203 cof[2*n
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5.13 Rational Chebyshev Approximati
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5.13 Rational Chebyshev Approximati
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5.14 Evaluation of Functions by Pat
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5.14 Evaluation of Functions by Pat
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6.1 Gamma, Beta, and Related Functi
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6.1 Gamma, Beta, and Related Functi
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incomplete gamma function P(a,x) 1.
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} void nrerror(char error_text[]);
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#include 6.2 Incomplete Gamma Func
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6.3 Exponential Integrals 223 where
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6.3 Exponential Integrals 225 #incl
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6.4 Incomplete Beta Function 227 Th
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6.4 Incomplete Beta Function 229 So
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Bessel functions 1 .5 0 −.5 −1
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} 6.5 Bessel Functions of Integer O
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6.5 Bessel Functions of Integer Ord
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modified Bessel functions 4 3 2 1 6
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6.6 Modified Bessel Functions of In
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6.7 Bessel Functions of Fractional
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} 6.7 Bessel Functions of Fractiona
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6.8 Spherical Harmonics 253 The fir
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6.9 Fresnel Integrals, Cosine and S
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} 6.9 Fresnel Integrals, Cosine and
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} 6.10 Dawson’s Integral 259 } if
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6.11 Elliptic Integrals and Jacobia
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where 6.11 Elliptic Integrals and J
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#define TINY 1.0e-25 #define BIG 4.
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6.11 Elliptic Integrals and Jacobia
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6.12 Hypergeometric Functions 271 C
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#include "complex.h" #define ONE Co
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7.1 Uniform Deviates 275 As for ref
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7.1 Uniform Deviates 277 This corre
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#define IA 16807 #define IM 2147483
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RAN 3 1 7.1 Uniform Deviates 281 iy
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7.1 Uniform Deviates 283 from the w
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7.1 Uniform Deviates 285 Constants
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7.2 Transformation Method: Exponent
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7.2 Transformation Method: Exponent
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first random deviate in 7.3 Rejecti
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} 7.3 Rejection Method: Gamma, Pois
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} 7.3 Rejection Method: Gamma, Pois
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7.4 Generation of Random Bits 297 s
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} } *iseed
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7.5 Random Sequences Based on Data
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} } 7.5 Random Sequences Based on D
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7.6 Simple Monte Carlo Integration
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7.6 Simple Monte Carlo Integration
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7.7 Quasi- (that is, Sub-) Random S
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7.8 Adaptive and Recursive Monte Ca
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Chapter 8. Sorting 8.0 Introduction
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8.1 Straight Insertion and Shell’
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8.2 Quicksort 333 question of the b
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8.2 Quicksort 335 istack=lvector(1,
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a 4 a 2 8.3 Heapsort 337 a 5 a 1 a
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original array 1 2 3 4 5 6 14 8 32
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8.5 Selecting the Mth Largest 341 w
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} } } } 8.6 Determination of Equiva
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Chapter 9. Root Finding and Nonline
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9.0 Introduction 349 good first gue
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(a) (b) (c) (d) 9.1 Bracketing and
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Bisection Method 9.1 Bracketing and
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Definitions and Basic Facts 11.0 In
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11.0 Introduction 459 In both the d
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11.0 Introduction 461 “Eigenpacka
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11.1 Jacobi Transformations of a Sy
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} } 11.2 Reduction of a Symmetric M
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11.2 Reduction of a Symmetric Matri
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11.2 Reduction of a Symmetric Matri
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11.3 Eigenvalues and Eigenvectors o
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} } 11.4 Hermitian Matrices 481 for
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11.5 Reduction of a General Matrix
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11.5 Reduction of a General Matrix
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11.6 The QR Algorithm for Real Hess
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11.7 Eigenvalues or Eigenvectors by
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11.7 Eigenvalues or Eigenvectors by
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and equation (12.0.1) looks like th
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12.1 Fourier Transform of Discretel
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12.2 Fast Fourier Transform (FFT) 5
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Other FFT Algorithms 12.2 Fast Four
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12.3 FFT of Real Functions, Sine an
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#include 12.3 FFT of Real Function
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} 12.3 FFT of Real Functions, Sine
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} } } 12.4 FFT in Two or More Dimen
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data [1] Re Im 12.4 FFT in Two or M
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(t) r*s(t) 13.1 Convolution and Dec
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amplitude 1 .8 .6 .4 .2 0 13.4 Powe
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13.9 Computing Fourier Integrals Us
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Cubic order: 13.9 Computing Fourier
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13.10 Wavelet Transforms 591 The sp
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13.10 Wavelet Transforms 593 p.”
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13.10 Wavelet Transforms 595 comple
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} 13.10 Wavelet Transforms 597 wfil
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.2 0 −.2 .2 0 −.2 DAUB4 e10 + e
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wavelet amplitude 1.5 1 .5 .0001 10
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13.10 Wavelet Transforms 605 Figure
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13.11 Numerical Use of the Sampling
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Chapter 14. Statistical Description
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14.1 Moments of a Distribution: Mea
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14.8 Savitzky-Golay Smoothing Filte
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14.8 Savitzky-Golay Smoothing Filte
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15.1 Least Squares as a Maximum Lik
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15.1 Least Squares as a Maximum Lik
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15.2 Fitting Data to a Straight Lin
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15.3 Straight-Line Data with Errors
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15.4 General Linear Least Squares 6
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} 15.4 General Linear Least Squares
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15.5 Nonlinear Models 681 Lawson, C
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15.5 Nonlinear Models 683 Note that
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15.5 Nonlinear Models 685 pivots, b
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#include "nrutil.h" 15.5 Nonlinear
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15.6 Confidence Limits on Estimated
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actual data set 15.6 Confidence Lim
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15.7 Robust Estimation 699 M� 1 C
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15.7 Robust Estimation 701 where th
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} *a=aa; *b=bb; *abdev=abdevt/ndata
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Chapter 16. Integration of Ordinary
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16.0 Introduction 709 problem where
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y(x) 16.1 Runge-Kutta Method 711 1
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} 16.1 Runge-Kutta Method 713 yt=ve
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16.2 Adaptive Stepsize Control for
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16.3 Modified Midpoint Method 723 H
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16.5 Second-Order Conservative Equa
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y 16.6 Stiff Sets of Equations 735
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16.6 Stiff Sets of Equations 737 If
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16.6 Stiff Sets of Equations 739 od
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} 16.6 Stiff Sets of Equations 741
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} 16.7 Multistep, Multivalue, and P
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16.7 Multistep, Multivalue, and Pre
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Chapter 17. Two Point Boundary Valu
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equired boundary value 17.0 Introdu
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17.1 The Shooting Method 17.1 The S
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} 17.1 The Shooting Method 759 floa
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17.2 Shooting to a Fitting Point 76
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17.3 Relaxation Methods 763 depende
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X X X X X X X X X X X X X X X X X X
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17.3 Relaxation Methods 767 Next co
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17.3 Relaxation Methods 769 calcula
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} 17.3 Relaxation Methods 771 for (
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17.4 A Worked Example: Spheroidal H
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} 17.4 A Worked Example: Spheroidal
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17.5 Automated Allocation of Mesh P
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17.6 Handling Internal Boundary Con
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17.6 Handling Internal Boundary Con
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18.0 Introduction 789 is called a F
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18.1 Fredholm Equations of the Seco
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#include "nrutil.h" 18.1 Fredholm E
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18.2 Volterra Equations 795 in §18
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18.3 Integral Equations with Singul
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f (x) 1 .5 0 −.5 0 18.3 Integral
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18.4 Inverse Problems and the Use o
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18.4 Inverse Problems and the Use o
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18.5 Linear Regularization Methods
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18.6 Backus-Gilbert Method 815 nece
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18.6 Backus-Gilbert Method 817 Subs
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18.7 Maximum Entropy Image Restorat
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Chapter 19. Partial Differential Eq
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19.0 Introduction 829 possible stab
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y L ∆ y1 19.0 Introduction 831 A
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19.0 Introduction 833 So-called rap
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19.1 Flux-Conservative Initial Valu
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t or n 19.1 Flux-Conservative Initi
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19.2 Diffusive Initial Value Proble
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19.2 Diffusive Initial Value Proble
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and the heuristic stability criteri
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19.3 Initial Value Problems in Mult
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19.3 Initial Value Problems in Mult
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19.4 Fourier and Cyclic Reduction M
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FACR Method 19.5 Relaxation Methods
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19.5 Relaxation Methods for Boundar
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19.6 Multigrid Methods for Boundary
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S S S E γ = 1 19.6 Multigrid Metho
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} 19.6 Multigrid Methods for Bounda
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#include 19.6 Multigrid Methods fo
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Chapter 20. Less-Numerical Algorith
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20.1 Diagnosing Machine Parameters
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20.1 Diagnosing Machine Parameters
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(a) G(i) (b) MSB 4 3 2 1 0 LSB i MS
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20.3 Cyclic Redundancy and Other Ch
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} 20.4 Huffman Coding and Compressi
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20.4 Huffman Coding and Compression
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} 20.4 Huffman Coding and Compressi
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} } } 20.4 Huffman Coding and Compr
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1.0 0.9 0.8 0.7 0.6 0.5 0.4 0.3 0.2
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20.5 Arithmetic Coding 913 Individu
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20.6 Arithmetic at Arbitrary Precis
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} for (j=n;j>=1;j--) { ireg=u[j]+HI
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#include "nrutil.h" #define RX 256.
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} 20.6 Arithmetic at Arbitrary Prec
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