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

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9
votes
1answer
517 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
240 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
2answers
1k 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: ...
9
votes
1answer
167 views

Comparing exact expressions for equality — is it really OK if I get wrong answer?

Bug introduced in 7.0 or earlier and fixed in 10.2.0 I found an unexpected behavior (that I think of as a bug) in evaluation of the equality operator applied to mathematical functions with exact ...
8
votes
2answers
702 views

Finding differences between Pi with varying number of decimals

I have the following code In[32]:= N[Pi, 2] Out[32]= 3.1 In[33]:= N[Pi, 1] Out[33]= 3. In[34]:= N[Pi, 2] - N[Pi, 1] Out[34]= 0.*10^-1 Why can't Mathematica ...
8
votes
4answers
1k 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
1answer
933 views

Handling failed FindRoot calls

I want to handle FindRoot calls which did not converge (e.g "thrown" error message FindRoot::cvmit) ...
8
votes
1answer
241 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
560 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 ...
8
votes
2answers
783 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
2answers
421 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
1answer
358 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
414 views

Optimizing Monte Carlo simulation of a Pred-Prey model

My assignment and code As part of an assignment for one of my classes, I'm trying to run a "massive" Monte Carlo simulation in Parallel on the follow model: ...
8
votes
1answer
179 views

SymplecticPartitionedRungeKutta shows strange error

Bug introduced in 9.0 or earlier and persisting through 10.2 or later I tried to solve Hamiltonian system ($Q$ is a vector of all generalized coordinates, $P$ - of generalized momentum) $$ ...
8
votes
1answer
183 views

What are the hidden specifications for FindRoot

The Help page of FindRoot says: "by default, FindRoot uses Newton's method (Newton-Raphson) to solve a nonlinear system" (or a nonlinear equation I ...
8
votes
1answer
432 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
1k 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 ...
8
votes
1answer
627 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.
8
votes
1answer
99 views

FindMaximum failing on a trivial problem

I am trying to solve a trivial optimization problem with FindMaximum but for some reason it is not going. I reduced the problem down to the following non-working ...
8
votes
1answer
171 views

Exp of big negative numbers [duplicate]

I noticed that Exp have a strange behaviour with big negative numbers ...
7
votes
4answers
528 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
3answers
330 views
7
votes
2answers
164 views

Efficient way to obtain values of a function defined by an Integral

Consider the following equation: $$S(q)=\frac{(4 \pi \rho ) \int r (h(r)-1) \sin (q r) \, dr}{q}$$ I want to numerically obtain values for $S(q)$ given that I have data points representing $h(r)$ ...
7
votes
3answers
473 views

Implement the Bisection algorithm elegantly and easily

Description: Rencently, I have finished my course Numerical Analysis, so I'd like to implement many algorithm that I have learned from that course.By this practice, I hope that I can improve my ...
7
votes
1answer
2k 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
557 views

How to solve fluid flow problem based on Navier-Stokes equations?

Does anyone know or can provide any examples how fluid flow problem can be formulated and solved in Wolfram Language? Simplest cases of 1D or 2D flows based on Navier-Stokes equations or even their ...
7
votes
2answers
276 views

listplot very large numbers

Suppose we have the following function: NN = 150; W[n1_] := NN!/(n1 ! (NN - n1!)) (1/2)^n1 (1/2)^(NN - n1) Then we can Plot or Listplot it: ...
7
votes
1answer
142 views

Numerical Integration different in Mathematica version 9 and 10 with same options

I have noted that the same function with the same settings gives me different results in Mathematica version 9 and 10. This involves integrating numerically interpolating functions and so on. Here a ...
7
votes
1answer
201 views

Fractal dimension of a large networked molecular system

I am trying to determine the fractal dimension of this complex biomolecule (figure attached). Any clues as to how this can be done. In trying to determine this quantity, I wonder how its ...
7
votes
2answers
108 views

Erfc Not Returning Results Specified in Documentation

In the documentation for Erfc (under "Possible Issues"), the following command returns a number that is extremely close to 2: However, when I run this same command in a fresh kernel, I get: ...
7
votes
2answers
622 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
538 views
7
votes
1answer
103 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
835 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 ...
7
votes
0answers
212 views

Mathematica 7: “LessEqual::nord:” error when using NMinimize on a real function

Bug introduced in 7.0 or earlier and fixed in 9.0 I encounter a problem (Mathematica 7) similar to Strategies to avoid LessEqual::nord in NMinimize? but the advised strategies don't work for me. ...
6
votes
3answers
504 views

RK4 Gravity Simulator

I have the following RK4 solver which splits the two 2nd order ODEs, used to calculate x and y positions under the influence of a gravitating body where $$x''(t)=\frac{G m ...
6
votes
1answer
191 views

Why does taking advantage of Listable change the results of a numerical computation slightly?

I have two variables: t0, and teta0. The first is computed using several nested sums, the second is computed taking advantage to ...
6
votes
2answers
321 views

A problem about fixed point iteration theory

Description Recently, I have been learning a couse called "Numerical Analysis". The fixed point iteration theory was introducted to solve the ...
6
votes
2answers
2k views

how to solve ODE with boundary at infinity

y''[x]-x y[x]==0 y[0]==AiryAi[0], y[infinity]==0 the analytic solution to this ODE is the Airy function y[x]=AiryAi[x] if I ...
6
votes
3answers
308 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
171 views

Round vs. Floor vs. Ceiling for non-integers non-orders-of-magnitude

I understand that Round give the nearest even integer for cases where the number is between two integers, i.e. Round[2.5] = 2 ...
6
votes
1answer
281 views

How trustworthy is NMaximize?

Suppose I solve a constrained optimisation problem using NMaximize. How confident can I be of the accuracy of the result? For concreteness, suppose that F,G are ...
6
votes
3answers
289 views

Numerically integrating a list-valued function [duplicate]

I want to NIntegrate a List valued function foo[x] which is only defined for numerical ...
6
votes
1answer
423 views

Is there no documentation for Method in Eigensystem?

There does not appear to be any documentation on how to use Method in Eigensystem, or at least not in Version 9.0.1 of ...
6
votes
1answer
173 views

Numerical error in Mathieu functions

Consider the MathieuCharacteristicA function, which is a piecewise function according to the documentation. The discontinuity happens at integer number. ...
6
votes
3answers
375 views

Numerical evaluation of a sum

I am trying to compute numerically NSum[(-1)^n/n^3, {n, 1, Infinity}]. Of course, using first Sum would work here, but often ...
6
votes
1answer
238 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}, ...
6
votes
1answer
302 views

Numerical problems with calculation of function

I have a problem with a calculation which I try to do with Mathematica (8.0.1). I have the following function which describes a cone (with half opening angle ...
6
votes
1answer
2k views

Mutual Information involving two matrix states

I basically retrieved the following technique of evaluating the mutual information involving two matrices from this site at http://bmia.bmt.tue.nl/People/BRomeny/Courses/8C080/default.htm The ...
6
votes
0answers
63 views

Negative accuracy numerics ( 0``-128 notation )

What does it mean to have a negative accuracy number? I understand 0``128 to mean "the number zero to 128 decimal points". Mathematica corroborates this: ...