Vectorizing consequential/iterative simulation (in python) - python

This is a very general question -- is there any way to vectorize consequential simulation (where next step depends on previous), or any such iterative algorithm in general?
Obviously, if one need to run M simulations (each N steps) you can use for i in range(N) and calculate M values on each step to get a significant speed-up. But say you only need one or two simulations with a lot of steps, or your simulations don't have a fixed amount of steps (like radiation detection), or you are solving a differential system (again, for a lot of steps). Is there any way to shove upper for-loop under the numpy hood (with a speed gain, I am not talking passing python function object to numpy.vectorize), or cython-ish approaches are the only option? Or maybe this is possible in R or some similar language, but not (currently?) in Python?

Perhaps Multigrid in time methods can give some improvements.

Related

Fastest way to compute large amount of fixed points in python?

I have a large amount of one-dimensional nonlinear fixed point problems to solve, what is the most efficient numerical solver? I'm currently using scipy.optimize.fixed_point, it takes around 17s to run 1000 of my tasks. Thanks for any suggestions.
If these are all 1D, you can take the fixed_point source,
https://github.com/scipy/scipy/blob/v1.5.2/scipy/optimize/minpack.py#L876
simplify it (can decide once on the acceleration strategy, no need for _lazywhere etc) and compile it with either cython or numba.

Efficient way to solve matrix equation in Python

Right now I am using the numpy.linalg.solve to solve my matrix, but the fact that I am using it to solve a 5000*17956 matrix makes it really time consuming. It runs really slow and It have taken me more than an hour to solve. The running time for this is probably O(n^3) for solving matrix equation but I never thought it would be that slow. Is there any way to solve it faster in Python?
My code is something like that, to solve a for the equation BT * UT = BT*B a, where m is the number of test cases (in my case over 5000), B is a data matrix m*17956, and u is 1*m.
C = 0.005 # hyperparameter term for regulization
I = np.identity(17956) # 17956*17956 identity matrix
rhs = np.dot(B.T, U.T) # (17956*m) * (m*1) = 17956*1
lhs = np.dot(B.T, B)+C*I # (17956*m) * (m*17956) = 17956*17956
a = np.linalg.solve(lhs, rhs) # B.T u = B.T B a, solve for a (17956*1)
Update (2 July 2018): The updated question asks about the impact of a regularization term and the type of data in the matrices. In general, this can make a large impact in terms of the datatypes a particular CPU is most optimized for (as a rough rule of thumb, AMD is better with vectorized integer math and Intel is better with vectorized floating point math when all other things are held equal), and the presence of a large number of zero values can allow for the use of sparse matrix libraries. In this particular case though, the changes on the main diagonal (well under 1% of all the values in consideration) will have a negligible impact in terms of runtime.
TLDR;
An hour is reasonable (a cubic regression suggests that this would take around 83 minutes on my machine -- a low-end chromebook).
The pre-processing to generate lhs and rhs account for almost none of that time.
You won't be able to solve that exact problem much faster than with numpy.linalg.solve.
If m is small as you suggest and if B is invertible, you can instead solve the equation U.T=Ba in a minute or less.
If this is part of a larger problem, this costly intermediate step might be able to be simplified away from a mathematical framework.
Performance bottlenecks really should be addressed with profiling to figure out which step is causing the issues.
Since this comes from real-world data, you might be able to get away with fewer features (either directly or through a reduction step like PCA, NMF, or LLE), depending on the end goal.
As mentioned in another answer, if the matrix is sufficiently sparse you can get away with sparse linear algebra routines to great effect (many natural language processing data sources are like this).
Since the output is a 1D vector, I would use np.dot(U, B).T instead of np.dot(B.T, U.T). Transposes are neat that way. This avoids doing the transpose on a big matrix like B, though since you have a cubic operation as the dominant step this doesn't matter much for your problem.
Depending on whether you need the original data anymore and if the matrices involved have any other special properties, you might be able to fiddle with the parameters in scipy.linalg.solve instead for a gain.
I've had mixed success replacing large matrix equations with block matrix equations falling back on numpy routines. That approach typically saves 5-20% over numpy approaches and takes 1% or so off scipy approaches on my system. I haven't fully explored the reason for the discrepancy.
Assuming your matrix is sparse, the scipy.sparse.linalg module will be useful. Here is the documentation for the whole module, and here is the documentation for spsolve.

Methods of discrete optimization of particular function in Python

I have a matrix on Z^2 with large dimensions (e.g. 20000 vectors of 200 elements). Each vector contains the same number of ones. I want to find minimal set of the vectors that gives a vector of ones in bitwise OR. This is solved by dynamic programming, but the time complexity of the solution is atrocious. I want to apply some optimization like annealing or genetic algorithm or something else to find less or more good approximation of the answer. But I have no experience in optimizing such functions and just don't know what to try first and what to start with. I want to learn some optimization in Python working on this problem, so some advice on pythonic way of discrete optimization here will be appreciated!

Comparing Root-finding (of a function) algorithms in Python

I would like to compare different methods of finding roots of functions in python (like Newton's methods or other simple calc based methods). I don't think I will have too much trouble writing the algorithms
What would be a good way to make the actual comparison? I read up a little bit about Big-O. Would this be the way to go?
The answer from #sarnold is right -- it doesn't make sense to do a Big-Oh analysis.
The principal differences between root finding algorithms are:
rate of convergence (number of iterations)
computational effort per iteration
what is required as input (i.e. do you need to know the first derivative, do you need to set lo/hi limits for bisection, etc.)
what functions it works well on (i.e. works fine on polynomials but fails on functions with poles)
what assumptions does it make about the function (i.e. a continuous first derivative or being analytic, etc)
how simple the method is to implement
I think you will find that each of the methods has some good qualities, some bad qualities, and a set of situations where it is the most appropriate choice.
Big O notation is ideal for expressing the asymptotic behavior of algorithms as the inputs to the algorithms "increase". This is probably not a great measure for root finding algorithms.
Instead, I would think the number of iterations required to bring the actual error below some epsilon ε would be a better measure. Another measure would be the number of iterations required to bring the difference between successive iterations below some epsilon ε. (The difference between successive iterations is probably a better choice if you don't have exact root values at hand for your inputs. You would use a criteria such as successive differences to know when to terminate your root finders in practice, so you could or should use them here, too.)
While you can characterize the number of iterations required for different algorithms by the ratios between them (one algorithm may take roughly ten times more iterations to reach the same precision as another), there often isn't "growth" in the iterations as inputs change.
Of course, if your algorithms take more iterations with "larger" inputs, then Big O notation makes sense.
Big-O notation is designed to describe how an alogorithm behaves in the limit, as n goes to infinity. This is a much easier thing to work with in a theoretical study than in a practical experiment. I would pick things to study that you can easily measure that and that people care about, such as accuracy and computer resources (time/memory) consumed.
When you write and run a computer program to compare two algorithms, you are performing a scientific experiment, just like somebody who measures the speed of light, or somebody who compares the death rates of smokers and non-smokers, and many of the same factors apply.
Try and choose an example problem or problems to solve that is representative, or at least interesting to you, because your results may not generalise to sitations you have not actually tested. You may be able to increase the range of situations to which your results reply if you sample at random from a large set of possible problems and find that all your random samples behave in much the same way, or at least follow much the same trend. You can have unexpected results even when the theoretical studies show that there should be a nice n log n trend, because theoretical studies rarely account for suddenly running out of cache, or out of memory, or usually even for things like integer overflow.
Be alert for sources of error, and try to minimise them, or have them apply to the same extent to all the things you are comparing. Of course you want to use exactly the same input data for all of the algorithms you are testing. Make multiple runs of each algorithm, and check to see how variable things are - perhaps a few runs are slower because the computer was doing something else at a time. Be aware that caching may make later runs of an algorithm faster, especially if you run them immediately after each other. Which time you want depends on what you decide you are measuring. If you have a lot of I/O to do remember that modern operating systems and computer cache huge amounts of disk I/O in memory. I once ended up powering the computer off and on again after every run, as the only way I could find to be sure that the device I/O cache was flushed.
You can get wildly different answers for the same problem just by changing starting points. Pick an initial guess that's close to the root and Newton's method will give you a result that converges quadratically. Choose another in a different part of the problem space and the root finder will diverge wildly.
What does this say about the algorithm? Good or bad?
I would suggest you to have a look at the following Python root finding demo.
It is a simple code, with some different methods and comparisons between them (in terms of the rate of convergence).
http://www.math-cs.gordon.edu/courses/mat342/python/findroot.py
I just finish a project where comparing bisection, Newton, and secant root finding methods. Since this is a practical case, I don't think you need to use Big-O notation. Big-O notation is more suitable for asymptotic view. What you can do is compare them in term of:
Speed - for example here newton is the fastest if good condition are gathered
Number of iterations - for example here bisection take the most iteration
Accuracy - How often it converge to the right root if there is more than one root, or maybe it doesn't even converge at all.
Input - What information does it need to get started. for example newton need an X0 near the root in order to converge, it also need the first derivative which is not always easy to find.
Other - rounding errors
For the sake of visualization you can store the value of each iteration in arrays and plot them. Use a function you already know the roots.
Although this is a very old post, my 2 cents :)
Once you've decided which algorithmic method to use to compare them (your "evaluation protocol", so to say), then you might be interested in ways to run your challengers on actual datasets.
This tutorial explains how to do it, based on an example (comparing polynomial fitting algorithms on several datasets).
(I'm the author, feel free to provide feedback on the github page!)

how to generate all possible combinations of a 14x10 matrix containing only 1's and 0's

I'm working on a problem and one solution would require an input of every 14x10 matrix that is possible to be made up of 1's and 0's... how can I generate these so that I can input every possible 14x10 matrix into another function? Thank you!
Added March 21: It looks like I didn't word my post appropriately. Sorry. What I'm trying to do is optimize the output of 10 different production units (given different speeds and amounts of downtime) for several scenarios. My goal is to place blocks of downtime to minimized the differences in production on a day-to-day basis. The amount of downtime and frequency each unit is allowed is given. I am currently trying to evaluate a three week cycle, meaning every three weeks each production unit is taken down for a given amount of hours. I was asking the computer to determine the order the units would be taken down based on the constraint that the lines come down only once every 3 weeks and the difference in daily production is the smallest possible. My first approach was to use Excel (as I tried to describe above) and it didn't work (no suprise there)... where 1- running, 0- off and when these are summed to calculate production. The calculated production is subtracted from a set max daily production. Then, these differences were compared going from Mon-Tues, Tues-Wed, etc for a three week time frame and minimized using solver. My next approach was to write a Matlab code where the input was a tolerance (set allowed variation day-to-day). Is there a program that already does this or an approach to do this easiest? It seems simple enough, but I'm still thinking through the different ways to go about this. Any insight would be much appreciated.
The actual implementation depends heavily on how you want to represent matrices… But assuming the matrix can be represented by a 14 * 10 = 140 element list:
from itertools import product
for matrix in product([0, 1], repeat=140):
# ... do stuff with the matrix ...
Of course, as other posters have noted, this probably isn't what you want to do… But if it really is what you want to do, that's the best code (given your requirements) to do it.
Generating Every possible matrix of 1's and 0's for 14*10 would generate 2**140 matrixes. I don't believe you would have enough lifetime for this. I don't know, if the sun would still shine before you finish that. This is why it is impossible to generate all those matrices. You must look for some other solution, this looks like a brute force.
This is absolutely impossible! The number of possible matrices is 2140, which is around 1.4e42. However, consider the following...
If you were to generate two 14-by-10 matrices at random, the odds that they would be the same are 1 in 1.4e42.
If you were to generate 1 billion unique 14-by-10 matrices, then the odds that the next one you generate would be the same as one of those would still be exceedingly slim: 1 in 1.4e33.
The default random number stream in MATLAB uses a Mersenne twister algorithm that has a period of 219936-1. Therefore, the random number generator shouldn't start repeating itself any time this eon.
Your approach should be thus:
Find a computer no one ever wants to use again.
Give it as much storage space as possible to save your results.
Install MATLAB on it and fire it up.
Start computing matrices at random like so:
while true
newMatrix = randi([0 1],14,10);
%# Process the matrix and output your results to disk
end
Walk away
Since there are so many combinations, you don't have to compare newMatrix with any of the previous matrices since the length of time before a repeat is likely to occur is astronomically large. Your processing is more likely to stop due to other reasons first, such as (in order of likely occurrence):
You run out of disk space to store your results.
There's a power outage.
Your computer suffers a fatal hardware failure.
You pass away.
The Earth passes away.
The Universe dies a slow heat death.
NOTE: Although I injected some humor into the above answer, I think I have illustrated one useful alternative. If you simply want to sample a small subset of the possible combinations (where even 1 billion could be considered "small" due to the sheer number of combinations) then you don't have to go through the extra time- and memory-consuming steps of saving all of the matrices you've already processed and comparing new ones to it to make sure you aren't repeating matrices. Since the odds of repeating a combination are so low, you could safely do this:
for iLoop = 1:whateverBigNumberYouWant
newMatrix = randi([0 1],14,10); %# Generate a new matrix
%# Process the matrix and save your results
end
Are you sure you want every possible 14x10 matrix? There are 140 elements in each matrix, and each element can be on or off. Therefore there are 2^140 possible matrices. I suggest you reconsider what you really want.
Edit: I noticed you mentioned in a comment that you are trying to minimize something. There is an entire mathematical field called optimization devoted to doing this type of thing. The reason this field exists is because quite often it is not possible to exhaustively examine every solution in anything resembling a reasonable amount of time.
Trying this:
import numpy
for i in xrange(int(1e9)): a = numpy.random.random_integers(0,1,(14,10))
(which is much, much, much smaller than what you require) should be enough to convince you that this is not feasible. It also shows you how to calculate one, or few, such random matrices even up to a million is pretty fast).
EDIT: changed to xrange to "improve speed and memory requirements" :)
You don't have to iterate over this:
def everyPossibleMatrix(x,y):
N=x*y
for i in range(2**N):
b="{:0{}b}".format(i,N)
yield '\n'.join(b[j*x:(j+1)*x] for j in range(y))
Depending on what you want to accomplish with the generated matrices, you might be better off generating a random sample and running a number of simulations. Something like:
matrix_samples = []
# generate 10 matrices
for i in range(10):
sample = numpy.random.binomial(1, .5, 14*10)
sample.shape = (14, 10)
matrix_samples.append(sample)
You could do this a number of times to see how results vary across simulations. Of course, you could also modify the code to ensure that there are no repeats in a sample set, again depending on what you're trying to accomplish.
Are you saying that you have a table with 140 cells and each value can be 1 or 0 and you'd like to generate every possible output? If so, you would have 2^140 possible combinations...which is quite a large number.
Instead of just suggesting the this is unfeasible, I would suggest considering a scheme that samples the important subset of all possible combinations instead of applying a brute force approach. As one of your replies suggested, you are doing minimization. There are numerical techniques to do this such as simulated annealing, monte carlo sampling as well as traditional minimization algorithms. You might want to look into whether one is appropriate in your case.
I was actually much more pessimistic to begin with, but consider:
from math import log, e
def timeInYears(totalOpsNeeded=2**140, currentOpsPerSecond=10**9, doublingPeriodInYears=1.5):
secondsPerYear = 365.25 * 24 * 60 * 60
doublingPeriodInSeconds = doublingPeriodInYears * secondsPerYear
k = log(2,e) / doublingPeriodInSeconds # time-proportionality constant
timeInSeconds = log(1 + k*totalOpsNeeded/currentOpsPerSecond, e) / k
return timeInSeconds / secondsPerYear
if we assume that computer processing power continues to double every 18 months, and you can currently do a billion combinations per second (optimistic, but for sake of argument) and you start today, your calculation will be complete on or about April 29th 2137.
Here is an efficient way to do get started Matlab:
First generate all 1024 possible rows of length 10 containing only zeros and ones:
dec2bin(0:2^10-1)
Now you have all possible rows, and you can sample from them as you wish. For example by calling the following line a few times:
randperm(1024,14)

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