Questions tagged [python]

A general purpose high-level programming language that emphasizes ease of code syntax and readability.

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6
votes
1answer
266 views

Efficiently computing $e^{tX}$ for many different values of $t$

Given an anti-Hermitian and sparse matrix $X$, I am using Python (NumPy and SciPy) to compute the matrix exponential $f(t) := e^{tX}$ for many values of $t$. The method I am currently using is to ...
6
votes
2answers
7k views

Solving coupled differential equations in Python, 2nd order

I have a system of coupled differential equations, one of which is second-order. I am looking for a way to solve them in Python. I would be extremely grateful for any advice on how can I do that! $k$...
6
votes
1answer
2k views

Loop optimization with f2py, Cython and Numba

I tried to used f2py, Cython and Numba to make a simple loop structure be faster in python. Python implementation: ...
6
votes
1answer
2k views

Alternatives to numpy.einsum

Given an $n_1 \times \cdots \times n_k \times g \times g$ tensor $A$ (i.e. a collection of $g \times g$ matrices) and an $n_1 \times \cdots \times n_k \times g$ tensor $b$ (i.e. a collection of ...
6
votes
1answer
826 views

FEniCS: how to access coordinates when writing an equation for a trial function

I need to solve the following equation in FEniCS: $$ \boldsymbol{\nabla} \cdot \begin{pmatrix} f(y)\frac{\partial u}{\partial x} - g(x,y)\frac{\partial u}{\partial y} \\ - g(x,y)\frac{\partial u}{\...
6
votes
2answers
5k views

Solve non-linear set of three equations using scipy

I need to solve a non-linear set of three equations using scipy. However, I do not have any clue on which algorithm is suitable for my problem from a mathematical point of view (stability, ...
6
votes
2answers
4k views

Using numpy arrays in Paraview programmable filter

How can I access a field in Paraview's programmable filter as a numpy array? I want to: Import an existing field as a numpy array Create a similar array for output Register it as a new field for ...
6
votes
1answer
331 views

Parallelize Scipy iterative methods for linear equation systems(bicgstab) in Python

I need to solve linear equations system Ax = b, where A is a sparse CSR matrix with size 500 000 x 500 000. I'am using scipy.bicgstab and it takes almost 10min to solve this system on my PC and I need ...
6
votes
1answer
3k views

Simulate electric fields due to surface charges in simple circuits using python

I want to simulate the electric fields in simple circuits using Python and only free software. My first goal is to reproduce the images given in (1) which are made by the commercial ANSYS Maxwell ...
6
votes
1answer
427 views

Calculate large and small frequency separation for the Sun

I want to determine the big and small frequency seperation from timeseries data for the sun. An excerpt of the data (timeseries and power series) is plotted below. The power series is calculated in ...
6
votes
4answers
2k views

Efficient eigen-decomposition of covariance matrix

I am looking for an C/C++/Python algorithm implementation that calculates eigenvalues and eigenvectors of a symmetric, positive semidefinite covariance matrix. A general-purpose eigen-decomposition ...
6
votes
1answer
829 views

Nonlinear dynamics: algorithm suggest

I've just started a thesis on nonlinear dynamics which entails numerical analysis of the Duffing oscillator (DO). It's basically just a second order ODE, or equivalently a set of ODEs. Say, after ...
5
votes
6answers
21k views

How can I plot piece-wise defined function in some easily-accessed open-source tool?

I want to plot $$f_{n}(x) = \begin{cases} x-n & \text{for } n \leq x \leq n+1 \\ 2-x+n & \text{for } n+1\leq x \leq n+2 \\ 0 &...
5
votes
2answers
216 views

Arbitrary Precision Optimization Libraries?

Are there any well-known optimization libraries (ideally with Python bindings or even in Python) supporting (unconstrained) minimization (of $f:\mathbb{R}^n \to \mathbb{R}$ for $n$ for $n\sim 10^1,10^...
5
votes
2answers
283 views

Recommended language/environment for large scale semi-continuous biological models

We have a fairly large (maybe 1000 equations) differential-algebraic equation model written in ACSLX, an obsolete modelling environment similar to Modelica. The model represents the evolution of a ...
5
votes
2answers
133 views

Exponent log to compute reciprocal power?

A MATLAB library seems to overcomplicate a computation: exp( (log(a) - log(b))/b ) which is mathematically equivalent (assuming real & positive ...
5
votes
2answers
464 views

MINLP with GEKKO - Modeling discrete variables

I'm trying to define a MINLP optimization problem with GEKKO in Python, and I want to use some variables with fixed values. For my first variable, x1, I need to define the following values (as would ...
5
votes
2answers
569 views

Speeding up a linear transform using Python

In an optical wavefront propagation problem, I need to do excessive Fourier-type computations: ...
5
votes
3answers
4k views

Storing a large, sparse array for R and Python

I've been working in R but sometimes switching to python. I'd like a more inter-language portable way of storing a large array than a csv file. (The particular csv file I'm dealing with is about 10^6 ...
5
votes
1answer
171 views

Algorithm to factorize matrix whose many rows are already of upper triangular form?

I have a matrix whose many rows are already in the upper triangular form. $$\begin{bmatrix} x_{11} & x_{12} & x_{13} & x_{14} & x_{5} \\ 0 & x_{22} & x_{23} & x_{...
5
votes
4answers
817 views

Measurement error library

Is there a python library that would keep track of uncertainty in measured data? i.e. if I put in a figure of a±b is there an easy way to track the propagation of error through calculations.
5
votes
2answers
9k views

SciPy interpolation with Univariate Splines

I have coded a routine for interpolation with B-splines, only to discover later that this functionality is already included in Python's SciPy. However, I do not understand one parameter in the SciPy ...
5
votes
2answers
443 views

Python: vectorizing a structured linear system solve

Overview I am looking for a way to solve a structured linear system in Python without using a for loop (preferably using vectorization, if possible). Background Consider the following linear system:...
5
votes
1answer
1k views

Solving for a set of coupled ODEs to get correct variable values

My question is about how I can solve a coupled system of ODE's, and print out the variables in a plot. I am solving for an q value and an e value, seen in this set of coupled ODE's below: $$ \begin{...
5
votes
1answer
1k views

What determines the usual chemistry textbook plots of atom orbitals?

In elementary chemistry textbooks you often have pictures like the following one: Are there any conventions how to get them? I am not sure, but I guess that it are contour plots with only one iso-...
5
votes
2answers
1k views

Numerical integration of a single integral

I am trying to evaluate this integral directly using numerical integration functions in Mathematica and Python. $$ \int_0^\infty {y^{-(n+1)}\prod_{i=1}^n \gamma(a_i+1,b_i y) }dy $$ where $\gamma(a,x)...
5
votes
1answer
3k views

Python: Multistart optimization using parallel programming

[I previously asked my question on StackOverflow but this site may be more appropriate] In Matlab, I am currently using the MultiStart as an optimization algo in a parallel setup for a computer ...
5
votes
5answers
9k views

scipy.sparse: Set row/column in sparse matrix to the identity without changing sparsity

I'm using the SciPy sparse.csr_matrix format for a finite element code. In applying the essential boundary conditions, I'm setting the desired value in the right ...
5
votes
1answer
892 views

Package for determining power output of windmill shapes?

I'm looking for the best package for doing the following: building a 3D model (or loading externally) of a non-standard windmill shape, simulating an airflow over the model, and determining the ...
5
votes
1answer
2k views

creating a flat surface in python

I'm trying to create a figure of particle distribution from a reference surface in python. I plan to get a distribution in python and then prettify it with tikz. I tried this: ...
5
votes
1answer
309 views

Iterative Cunnigham correction in Millikans oil-drop experiment

I tried to write an analysis program in python for the Millikan experiment based on a paper from Jones "The Millikan oil‐drop experiment: Making it worthwhile" However, I cannot reproduce the ...
5
votes
2answers
501 views

Computation of multipole expansion of potential not converging

According to Beatson and Greengard's short course on FMM: ( Eq. 5.15 & 5.16 setting k=1, q=1 ) We can approximate a potential $\phi = 1/(r-R)$ using: $$ {1\over |\vec{r}-\vec{R}|} = \sum_{n=0}^{...
5
votes
1answer
2k views

Sign differences in spectral decomposition in NumPy

I am trying to understand an example from a book, but I seem to get different answers depending on which spectral decomposition function I use in NumPy. I am trying to find a spectral decomposition $...
5
votes
2answers
2k views

Line Integral Convolution (LIC) Requirements

I'm trying to plot some vector fields using LIC technique. More specifically, I'm using the Python solution for this kind of plot. Before applying that approach, I was plotting my vectors as quiver. ...
5
votes
2answers
1k views

Hashing algorithms/implementations for Monte Carlo simulation

To summarise this question in advance, I'm looking for a good hash function that is suitable for generating pseudo-random numbers in Monte Carlo simulations. This means it should be reasonably fast (...
5
votes
1answer
3k views

Logistic regression with Python

I am trying to code up logistic regression in Python using the SciPy fmin_bfgs function, but am running into some issues. I wrote functions for the logistic (...
5
votes
1answer
107 views

How do I globally change the precision of a piece of code in Python to debug it?

I am solving a system of non-linear equations using the Newton-Raphson method in Python. This involves using the solve(Ax,b) function (...
5
votes
1answer
4k views

Solve rate equations with different reaction orders using SciPy ode

The image below illustrates the kinetic scheme I am trying to model. My first example focuses on the conversion of the wood-oil to non-volatiles and volatiles. The rate equations are as follows: $$ ...
5
votes
1answer
960 views

Compute lengths of the longest edge of each cell

Having mesh = UnitSquareMesh(2, 2) Q = FunctionSpace(mesh, 'DG', 0) this works as expected ...
5
votes
1answer
292 views

Recommendation for a python book for data processing

I've been doing FORTRAN programming for 10 years and I've started using python for a few years now, mostly for data processing. I've been lucky enough to work with people that are knowledgeable ...
5
votes
1answer
698 views

Optimization of a blackbox function with an equality constraint?

I believe this would be an interesting problem. I have a blackbox function which can take 2-60 input variables $(X_1,X_2,...X_n)$ which are to be optimized. I'm calling this objective function as a ...
5
votes
1answer
743 views

Sparse matrix ordering in Python

I would like to implement custom, domain-specific algorithms for sparse matrix orderings. I am looking for Python packages for ordering sparse matrices. It would be nice to have: The underlying ...
5
votes
1answer
930 views

Basic questions regarding slepc4py/petsc4py

I am brand new to slepc4py and petsc4py (and SLEPc and PETSc in general), and I have a few basic questions. I apologize if these have been answered somewhere - I've looked around for a while and haven'...
5
votes
1answer
1k views

Drawing isocontour data of 3d discrete volume with mayavi2

I'm trying to visualize the propagation of heat in a discrete sphere surface. The sphere is hollow, only the voxels of the boundary have value. Visualization in matlab using isosurface shows correct ...
5
votes
0answers
133 views

How to numerically evaluate this double Integral?

I want to evaluate the following integral: $$\int_{0}^{60} \ \left(\int_{0}^{2z} 0.5\cdot t \left(\mathrm{erf}(t-a) -1 \right)J_{0}(qt)\mathrm{d}t \right)^2 \mathrm{exp}\left(-\frac{(z-a)^2}{2s^2}\...
5
votes
0answers
510 views

Symmetric sparse direct solvers in scipy

scipy.linalg.solve, in its newer versions, has a parameter assume_a that can be used to specify that the matrix $A$ is symmetric ...
5
votes
0answers
380 views

Avoiding divergent solutions with `odeint`? shooting method

I am trying to solve an equation in Python. Basically what I want to do is to solve the equation: $$ \frac{1}{x^2}\frac{d}{dx}\left(Gam \frac{dL}{dx}\right)+L\left(\frac{a^2x^2}{Gam}-m^2\right)=0 $$ ...
5
votes
0answers
1k views

Python - calculation time derivative and laplacien by finite differences

I would like to determine a temporal derivative and a Laplacian by the finite differences method to solve the heat equation in a 1-dimensional case. My aim is to get the sources term that is why I ...
5
votes
0answers
245 views

Negative viscosity stabilized by fourth order terms

I am trying to solve a "Navier-Stokes"-type problem where the viscosity is negative. Of course this renders the equation unstable and thus I add a fourth order term, so the entire equation becomes: $$...
4
votes
2answers
858 views

CUDA & Python for numerical integration and solving differential equations

Can anyone please suggest some libraries which allow use CUDA in Python for numerical integration and/or solving of differential equations? My goal is to solve large (~1000 equations) of coupled non-...

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