Questions on the numerical functions of Mathematica, implementing numerical methods and numerical computing with Mathematica.

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11
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1answer
2k views

Kramers-Kronig in Mathematica

I am trying to calculate the change of the refractive index from the change of the absorption coefficient using the Kramers-Kronig relations, in Mathematica. ...
11
votes
1answer
2k views

What method does NDSolve use for solving PDEs?

What is NDSolve's mode of operation? I use it to solve partial differential equations and never gave it too much thought. Recently, I came across this question. ...
11
votes
2answers
561 views

Is it possible to use the LevenbergMarquardt algorithm for fitting a black-box residual function?

I have a black-box multiargument multiparametric function of the type SRD[dataPoint_List,params_List] which accepts experimental data along with the parameters of ...
11
votes
1answer
855 views

AccuracyGoal, PrecisionGoal, WorkingPrecision and NDSolve

I'm trying to understand exactly what WorkingPrecision, AccuracyGoal and PrecisionGoal mean ...
11
votes
1answer
207 views

How to create internally optimized expression for computing with high WorkingPrecision?

I have large dataset and need to fit rather complicated function on it with different values of one of its parameters (this parameter must be fixed in every fit). I use the ...
10
votes
3answers
2k views

NDSolve with Euler method

I want to solve this equation with NDSolve[] using the Euler method: x'[t] == 0.5*x[t]-0.04*(x[t])^2 with initial condition ...
10
votes
1answer
1k views

Combined numerical minimization and maximization

I want to numerically calculate the maximum of a function defined by the minimization of another function, like the following: ...
10
votes
1answer
796 views

How do I find all the solutions of three simultaneous equations within a given box?

Sometimes, one needs to find all the solutions of three simultaneous nonlinear equations in three unknowns $$\begin{align*}f(x,y,z)&=0\\g(x,y,z)&=0\\h(x,y,z)&=0\end{align*}$$ within a ...
10
votes
2answers
322 views

Determining the default Method used in optimization and root-finding algorithms

Is it possible to extract the Method which is used in functions like NMinimize, FindRoot, ...
10
votes
1answer
236 views

Converting to machine precision

There are multiple ways to convert an expression to machine precision, for example: ...
10
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1answer
230 views

How to work with Experimental`NumericalFunction?

This question is intimately connected with previous one: "How to create internally optimized expression for computing with high WorkingPrecision?" Oleksandr R. correctly states in the comment: A ...
9
votes
3answers
818 views

How do you round numbers so that it affects computation?

I'm trying to make a demonstration of how rounding to different numbers of digits affects things but I can't find a way to round numbers to a specified number of digits. The ...
9
votes
4answers
337 views

Why is Poisson Random Deviate Generation so slow?

I am generating Poisson deviates for some numerical work. Mathematica 9.0.1 is very slow in generating these random numbers, as can be seen below. ...
9
votes
3answers
2k views

How can I differentiate Numerically?

Mathematica has two ways to integrate: Integrate and NIntegrate. But what about D? ...
9
votes
1answer
101 views

Apply N only outside a certain function

1 + f[1] // N gives 1. + f[1.] I don't want the argument of f evaluated by N; I ...
9
votes
1answer
197 views

RandomReal closed on left & open on right?

I have a number of algorithms that depend on uniform random reals in half-open intervals such as $[0,1)$. In particular, I need a (pseudo) random-number generator that produces machine-precision ...
9
votes
1answer
338 views

ParallelEvaluate for function minimization

Is there a parallelized version of a minimization routine available in Mathematica? The objective function is non-linear and the gradients have to be numerically computed. Every function evaluation ...
9
votes
1answer
425 views

Why can't I change the value of MaxRecursion in NIntegrate when integrating BesselJ?

I am trying to evaluate this integral numerically $$ \int_0^{\infty } J_0(q R) \tanh(q) \, \mathrm{d}q $$ for large values of $R$. This makes the integrand oscillate more quickly and Mathematica ...
9
votes
1answer
94 views

BitShiftRight produces incorrect results in Version 10

With Mathematica 10 for Mac, BitShiftRight works properly on lists of up to 100000 numbers, but appears to give incorrect results when threaded over lists of 100001 ...
8
votes
4answers
285 views

Numerical instability in cosh and sinh - integral functions

I'm trying to calculate the function: CoshIntegral[x] Sinh[x] - Cosh[x] SinhIntegral[x] Unfortunately Mathematica seems to hit a point (x~20) and things become ...
8
votes
4answers
708 views

Numerical integration of a numeric data available as a nested list

I have some numerical data in the form of a list with the following structure: {...{x,y,z},...} defining a surface z=z(x,y) in a 3D space (x,y,z). The data came from a simulation, and I am ...
8
votes
2answers
2k views

How do you force a decimal output? [duplicate]

I have some very small values such as 2.601519253*10^-8. I'd like to output these values to CSV for another program to work with. I've tried N[value, 50], but Mathematica still insists on producing ...
8
votes
2answers
2k views

How to discretize a nonlinear PDE fast?

I wish to numerically solve the following PDE. Although there are some complete discussions for solving PDEs in tutorial/NDSolvePDE, there is no hint for the nonlinear case by discretization. Thus, I ...
8
votes
1answer
205 views

SetPrecision within Block

I am reading Mathematica Cookbook, chapter 1. Author gives two examples, with the following explanation You can control precision within a complex calculation (without using ...
8
votes
2answers
2k views

Numerically obtaining the inverse Laplace transform of data

I have been using several Mathematica packages to do numerical inverse Laplace transforms on known (expressible in closed form) expressions, $\tilde{f}(s)$. I am now being confronted with the more ...
8
votes
2answers
360 views

Precision differences

I run this sum and get the symbolic answer below : Sum[ (1/(k^2 - k) - 1/k^2), {k, 2, Infinity}] $2 - \frac{\pi^2}{6}$ I look up the sequence on OEIS and ...
8
votes
2answers
626 views

Number of iterations in NSolve

In Excel's solver, one can define how many iterations are to be done, to one's liking. I am wondering if this is possible to do with NSolve in Mathematica? Code ...
8
votes
1answer
298 views

ReplaceAll[] and Limit[] don't give correct results for this expression under extreme variables [duplicate]

Possible Duplicate: Funny behaviour when plotting a polynomial of high degree and large coefficients 1/x^2 + (3 + x)/(6 (1 - Exp[x] + x)) ——This is a ...
8
votes
1answer
983 views

Computation of Hankel Transform using FFT (Fourier)

To address circular symmetric cases of 2D Fourier Transformations the so called Hankel Transform can be applied (for a detailed derivation of the relation between the 2D Fourier transform and the 1D ...
8
votes
2answers
960 views

RootSearch for complex or multiple equations

First the background. I'm trying to solve for the roots of a rather messy complex equation. This is not the exact equation, but it's a decent (simpler) stand in: ...
8
votes
1answer
317 views

Symbolic Integration along contour: branch cut problem?

Context Following this question on path integrals in the complex plane, having defined again a numerical and symbolic integrator along a path as ...
8
votes
1answer
370 views

Converting other C++ classes to MTensor in LibraryLink

Hopefully this will be a quick question + a quick answer: Say I have a C++ (or C) code using LibraryLink. I am using a library that defines a specific matrix class, as many numerical libraries ...
8
votes
1answer
148 views

Exp of big negative numbers [duplicate]

I noticed that Exp have a strange behaviour with big negative numbers ...
8
votes
0answers
489 views

Dual complex integral over implicit path using contour plot

Context I am interested in doing double contour integral over paths which are defined implicitely. For the sake of debugging, let's assume its $$\oint_{\cal C}\oint_{\cal C} \frac{1}{u\, x} d u d x$$ ...
7
votes
4answers
369 views

Distances between points in periodic cube

How can one implement more efficiently/elegantly/memory savvily the following function which returns a matrix of all Euclidian distances between points in 3D within a cube of width ...
7
votes
1answer
796 views

Is Abs[z]^2 a bad way to calculate the square modulus of z?

For a numerical quantity z, Abs[z] returns the square root of the sum of the squares of the real and imaginary parts of ...
7
votes
1answer
715 views

Handling failed FindRoot calls

I want to handle FindRoot calls which did not converge (e.g "thrown" error message FindRoot::cvmit) ...
7
votes
1answer
196 views

Is there a way to see the result of NIntegrate's symbolic preprocessing?

NIntegrate can do a number of different types of symbolic preprocessing on the integrand before starting the numerical calculations, including changes of variables. ...
7
votes
2answers
392 views

Is there any fast way to solve a quadratic matrix equation in Mathematica approximately?

Let the square nonsingular matrix $M$ is a given convergent matrix. What are the best scalar values for $\alpha$ and $\beta$ (in the real numbers domain), at which the following quadratic matrix ...
7
votes
1answer
897 views

Minimization by Nelder-Mead

Finding a global minimum for this problem (non-linear optimization by the Nelder-Mead downhill simplex method) may not be possible, but by finding local minimum, I am expecting the value of the ...
7
votes
2answers
472 views

How to apply restrictions to the “integrated” variable, when using NDSolve?

I have to integrate an energy along a path. I know the energy at the "beginning" of the path (energy[0]), and I can determine the energy change (gain and loss) ...
7
votes
1answer
799 views

Implementation of Incomplete Fermi-Dirac Integral in Mathematica

I'm working on a special algorithm to implement a more accurate effective mass calculation for hole carriers in silicon in Mathematica. This rather involved algorithm uses incomplete Fermi-Dirac ...
7
votes
1answer
509 views

Is there any automatic differentiation package?

I'm wondering if an automatic differentiation package exists for Mathematica. This is what I mean by automatic differentiation.
7
votes
1answer
84 views

Need a generalization of RootApproximant to recognize linear combinations over algebraic numbers

RootApproximant does a very good job when I need to recognize an algebraic number and when enough of its digits are known (or even when an unlimited number of ...
7
votes
1answer
545 views

Using Mathematica to help to determine the consistency of and numerically solve systems of non-linear equations

The formal problem The question I am about to ask is applicable to many scientific and engineering problems. In short, I am bout to ask for pointers and practical advice for Mathematica beginners who ...
6
votes
3answers
255 views
6
votes
1answer
466 views

What are the algorithm details of FindRoot?

The Help page of FindRoot says: "by default, FindRoot uses Newton's method (Newton-Raphson) to solve a nonlinear system". But I ...
6
votes
3answers
244 views

Finding the square root of a squared number?

Taking the square root of the square of a number Variable set to a real value I'm wondering why these examples a = -4.3; Sqrt@a² Sqrt@(a^2) Sqrt[a^2] Sqrt[a²] ...
6
votes
2answers
298 views

No builtin function for bitwise rotation?

There appears to be no builtin Mathematica function for bitwise rotation. Is that true? I suppose I can write my function: ...
6
votes
1answer
188 views

Iteration process involving several functions

I would like to carry out a following iteration process: Apply function f1[a_,b_,c_,d_] to a starting list l1={a1,b1,c1,d1}, ...