# Questions tagged [numpy]

NumPy is the fundamental package for scientific computing with Python.

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### Permute a matrix in-place in numpy

I want to modify a dense square transition matrix in-place by changing the order of several of its rows and columns, using python's numpy library. Mathematically this corresponds to pre-multiplying ...
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### How does the performance of Python/Numpy array operations scale with increasing array dimensions?

How do Python/Numpy arrays scale with increasing array dimensions? This is based on some behaviour I noticed while benchmarking Python code for this question: How to express this complicated ...
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### Complexity of matrix inversion in numpy

I am solving differential equations that require to invert dense square matrices. This matrix inversion consumes the most of my computation time, so I was wondering if I am using the fastest algorithm ...
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### Why does SciPy eigsh() produce erroneous eigenvalues in case of harmonic oscillator?

I'm developing some larger code to perform eigenvalue computations of huge sparse matrices, in the context of computational physics. I test my routines against the simple harmonic oscillator in one ...
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### Fast Automatic Differentiation for numpy?

I would like to use automatic differentiation to calculate gradients to function written in numpy. I've come across a number of packages, including autograd tangent chainer But none of them seem ...
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### How to express this complicated expression using numpy slices

I wish to implement the following expression in Python: $$x_i = \sum_{j=1}^{i-1}k_{i-j,j}a_{i-j}a_j,$$ where $x$ and $y$ are numpy arrays of size $n$, and $k$ is a numpy array of size $n\times n$. ...
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### Can an approximated Jacobian with finite differences cause instability in the Newton method?

I have implemented a backward-Euler solver in python 3 (using numpy). For my own convenience and as an exercise, I also wrote a small function that computes a finite difference approximation of the ...
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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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### Is it possible to express an arbitrary tensor contraction in terms of BLAS routines?

I noticed that libraries like numpy and pytorch are able to perform arbitrary tensor contractions at speeds similar to comparably sized matrix multiplications. This leads me to believe that underneath ...
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### Continuity of eigenvectors of parametric matrix

I have $n$-dimensional matrices $\mathrm{\hat{H}}(\vec{k})$ depending on vector parameter $\vec{k}$. Now, eigenvalue routines return eigenvalues in no particular order (they are usually sorted), but ...
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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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### Calculating partial trace of array in NumPy

A simulation I'm doing requires me to calculate the partial trace of a large density matrix. I am trying to calculate it using tools from numpy, but my code seems to be having some problems. For ...
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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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### Can numpy.linalg.solve use back substitution when possible?

The question is if Python Numpy library can use back subsitution to solve Ax=b if possible, that is, if A is lower triangular? Do numerical linear algebra packages do this? I would think Numpy would ...
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### plotting discontinuous functions

I need help plotting the Heaviside function: Real analysis often involves constructing bizarre functions which are intuitively correct, but ultimately wrong. See the great book Counterexamples in ...
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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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### 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 ...
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### 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:...
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### How to read the number of periods of this complicated graph?

I have two data sets that are quasi-periodic. They have the same period and can be seen clearly by eye. For example when $x\in(100,200)$, both of them have about 32 periods. Below is a zoom-in of the ...
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### How amenable is this 2D Frenkel–Kontorova-like energy minimization problem in Python to the use of a modest PC + GPU? (Heavy reliance on indexing)

@Richard's answer to Going to try to move some of my scipy/numpy calculation to a new GPU, how to avoid disappointing results? is quite helpful, and as promised I've added a simple running example ...
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### What algorithm do BLAS and ATLAS use for matrix multiplication?

I have searched and what I understood was that they use the naive one with several memory and cache optimizations. However, I wanted to know whether they are using the Strassen or the Coppersmith-...
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### Analytic solution 2D scalar wave equation in cylindrical coordinates numerical implementation

I am trying to compare my finite difference's solution of the scalar (or simple acoustic) wave equation with an analytic solution. For that purpose I am using the following analytic solution ...
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### Time and memory required to diagonalize a 18000 by 18000 matrix using numpy in python

Can someone give an estimate of the Time and memory required to diagonalize a 20000 by 20000 complex hermitian matrix using numpy in python ?
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### High frequency noise at solving diffusion equation

I'm trying to simulate a simple diffusion based on Fick's 2nd law. ...
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