# Questions tagged [python]

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

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### Memory efficient implementations of partial Singular Value Decompositions (SVD)

For model reduction, I want to compute the left singular vectors associated to the - say 20 - largest singular values of a matrix $A \in \mathbb R^{N,k}$, where $N\approx 10^6$ and $k\approx 10^3$. ...
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### Are there any "light-weight" FEM packages around?

Basically, FEM seems to be a problem that is pretty much "solved". There are numerous powerful frameworks existing, like Trilinos, PETSc, FEniCS, Libmesh or MOOSE. One thing they have in common: They ...
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### How to solve a second order differential equation (diffusion) with boundary conditions using Python

I am having trouble implementing a model from a publication. Huang, K-L.; Holsen, T.M.; Selman, J.R. Ind. Eng. Chem. Res. 2003, 42, 15, 3620–3625 scihub link: https://sci-hub.se/10.1021/ie030109q I ...
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### Numerical integration for modelling curve for superconductors (Python)

I am a physicist who is trying to model the current-voltage characteristics of a superconductor-superconductor junction. The equation for this model is: \begin{align} I(V) = \frac{1}{eR_{\mathrm{n-n}...
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### Do I need to learn C?

I am a PhD student in Scientific Computing and over the past few months, I spent a good amount of time learning Python and C++ the right way. I feel that I have learnt C++ well and I can use Python to ...
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### High Order derivatives of splines using SciPy

I have created a spline to fit my data in python using: spline=scipy.interpolate.UnivariateSpline(energy, fpp, k=4) The equation I want to use involves a ...
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### Accurate Way to Calculate Matrix Powers and Matrix Exponential for Sparse Positive Semidefinite Matrices

I do need to numerically calculate the following forms for any $x\in\mathbb{R}^n$, possibly in python: $x^T M^k x$, where $M\in\mathbb{R^{n\times n}}$ is a PSD sparse matrix, $n$ can be quite large ...
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### random number generation from cython

I want to make my python program fast by using cython, but my inner loop is still making slow python calls to the random number generator! Several years ago this same issue was raised by someone on ...
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### What does Python offer for distributed/parallel/GPU computing?

Using the SciPy/NumPy libraries, Python is a pretty cool and performing platform for scientific computing. I just wonder: When I have to go parallel (multi-thread, multi-core, multi-node, gpu), what ...
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### Python solvers for mixed-integer nonlinear constrained optimization

I want to minimize a black box function $f(x)$, which takes a 8$\times$3 matrix of non-negative integers as input. Each row specifies a variable, whereas each column specifies a certain time period so ...
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### Rearrange an ordinary matrix to block diagonal form

Is there an algorithm to rearrange a matrix into block diagonal form, given that the matrix is block diagonal in nature but randomized with an unwise choice of basis? In particular, are there any ...
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### Python scripting in Paraview

I've been using the basic visualization features of Paraview. Now, I want to go further by writing python macros to handle some specific tasks. My question for the advanced users: Are there any ...
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### How to handle large numbers of output data sets from a simulation/sensitivity analysis?

Somewhat related, but I think the question is distinct enough to justify a separate question. As a bit of background, I come from a observational/statistical Epidemiology background, working with ...
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### Python trust region optimization code that allows ellipsoid-shaped trust regions

Are there any high quality trust region optimization implementations that allow nonspherical ellipsoid trust regions, and are written in Python, or are easy to call from python? By nonspherical ...
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### Can we sparse solve a few eigenvalues specified by index range?

I need to solve a few eigenvalues of a large sparse matrix specified by their index range. These indices are according to the whole eigenspectrum sorted in algebraic (not absolute value) ascending ...
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### fastest way to compute many small dot products

I have two n-by-3 blocks contiguous in memory ("n vectors of length 3") and I'd like to compute the dot product between each of the rows as fast as possible. In numpy, using ...
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### Implementation of Lanczos method that returns tridiagonal matrix

The Lanczos method can be used to obtain extremal eigenpairs of sparse symmetric or hermitian matrices. I know there are several implementations of the Lanczos method (as well as Arnoldi, Davidson, ...
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### Matrix multiplication accuracy Matlab vs Python

I am translating some Matlab code into Python and I having some problems regarding matrix multiplication accuracy. Assuming we have following data: ...
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### Runge-Kutta in the presence of an attractor

Suppose you are solving a system of equations numerically that possesses an attractor (no matter the initial conditions set, all the different solutions will approach a specific set of values that ...
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^...