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currently running into a problem solving this.
The objective of the exercise given is to find a polynom of certian degree (the degree is given) from a dataset of points (that can be noist) and to best fit it using least sqaure method.
I don't understand the steps that lead to solving the linear equations?
what are the steps or should anyone provide such a python program that lead to the matrix that I put as an argument in my decomposition program?
Note:I have a python program for cubic splines ,LU decomposition/Guassian decomposition.
Thanks.
I tried to apply guassin / LU decomposition straight away on the dataset but I understand there are more steps to the solution...
I donwt understand how cubic splines add to the mix either..
Edit:
guassian elimintaion :
import numpy as np
import math
def swapRows(v,i,j):
if len(v.shape) == 1:
v[i],v[j] = v[j],v[i]
else:
v[[i,j],:] = v[[j,i],:]
def swapCols(v,i,j):
v[:,[i,j]] = v[:,[j,i]]
def gaussPivot(a,b,tol=1.0e-12):
n = len(b)
# Set up scale factors
s = np.zeros(n)
for i in range(n):
s[i] = max(np.abs(a[i,:]))
for k in range(0,n-1):
# Row interchange, if needed
p = np.argmax(np.abs(a[k:n,k])/s[k:n]) + k
if abs(a[p,k]) < tol: error.err('Matrix is singular')
if p != k:
swapRows(b,k,p)
swapRows(s,k,p)
swapRows(a,k,p)
# Elimination
for i in range(k+1,n):
if a[i,k] != 0.0:
lam = a[i,k]/a[k,k]
a[i,k+1:n] = a[i,k+1:n] - lam*a[k,k+1:n]
b[i] = b[i] - lam*b[k]
if abs(a[n-1,n-1]) < tol: error.err('Matrix is singular')
# Back substitution
b[n-1] = b[n-1]/a[n-1,n-1]
for k in range(n-2,-1,-1):
b[k] = (b[k] - np.dot(a[k,k+1:n],b[k+1:n]))/a[k,k]
return b
def polyFit(xData,yData,m):
a = np.zeros((m+1,m+1))
b = np.zeros(m+1)
s = np.zeros(2*m+1)
for i in range(len(xData)):
temp = yData[i]
for j in range(m+1):
b[j] = b[j] + temp
temp = temp*xData[i]
temp = 1.0
for j in range(2*m+1):
s[j] = s[j] + temp
temp = temp*xData[i]
for i in range(m+1):
for j in range(m+1):
a[i,j] = s[i+j]
return gaussPivot(a,b)
degree = 10 # can be any degree
polyFit(xData,yData,degree)
I was under the impression the code above gets a dataset of points and a degree. The output should be coeefients of a polynom that fits those points but I have a grader that was provided by my proffesor , and after checking the grading the polynom that returns has a lrage error.
After that I tried the following LU decomposition instead:
import numpy as np
def swapRows(v,i,j):
if len(v.shape) == 1:
v[i],v[j] = v[j],v[i]
else:
v[[i,j],:] = v[[j,i],:]
def swapCols(v,i,j):
v[:,[i,j]] = v[:,[j,i]]
def LUdecomp(a,tol=1.0e-9):
n = len(a)
seq = np.array(range(n))
# Set up scale factors
s = np.zeros((n))
for i in range(n):
s[i] = max(abs(a[i,:]))
for k in range(0,n-1):
# Row interchange, if needed
p = np.argmax(np.abs(a[k:n,k])/s[k:n]) + k
if abs(a[p,k]) < tol: error.err('Matrix is singular')
if p != k:
swapRows(s,k,p)
swapRows(a,k,p)
swapRows(seq,k,p)
# Elimination
for i in range(k+1,n):
if a[i,k] != 0.0:
lam = a[i,k]/a[k,k]
a[i,k+1:n] = a[i,k+1:n] - lam*a[k,k+1:n]
a[i,k] = lam
return a,seq
def LUsolve(a,b,seq):
n = len(a)
# Rearrange constant vector; store it in [x]
x = b.copy()
for i in range(n):
x[i] = b[seq[i]]
# Solution
for k in range(1,n):
x[k] = x[k] - np.dot(a[k,0:k],x[0:k])
x[n-1] = x[n-1]/a[n-1,n-1]
for k in range(n-2,-1,-1):
x[k] = (x[k] - np.dot(a[k,k+1:n],x[k+1:n]))/a[k,k]
return x
the results were a bit better but nowhere near what it should be
Edit 2:
I tried the chebyshev method suggested in the comments and came up with:
import numpy as np
def chebyshev_transform(x, n):
"""
Transforms x-coordinates to Chebyshev coordinates
"""
return np.cos(n * np.arccos(x))
def chebyshev_design_matrix(x, n):
"""
Constructs the Chebyshev design matrix
"""
x_cheb = chebyshev_transform(x, n)
T = np.zeros((len(x), n+1))
T[:,0] = 1
T[:,1] = x_cheb
for i in range(2, n+1):
T[:,i] = 2 * x_cheb * T[:,i-1] - T[:,i-2]
return T
degree =10
f = lambda x: np.cos(X)
xdata = np.linspace(-1,1,num=100)
ydata = np.array([f(i) for i in xdata])
M = chebyshev_design_matrix(xdata,degree)
D_x ,D_y = np.linalg.qr(M)
D_x, seq = LUdecomp(D_x)
A = LUsolve(D_x,D_y,seq)
I can't use linalg.qr in my program , it was just for checking how it works.In addition , I didn't get the 'slow way' of the formula that were in the comment.
The program cant get an x point that is not between -1 and 1 , is there any way around it , any normalizition?
Thanks a lot.
Hints:
You are probably asked for an unsophisticated method. If the degree of the polynomial remains low, you can use the straightforward approach below. For the sake of the explanation, I'll use a cubic model.
Assume that you want to fit your data to this polynomial, by observing that it seems to follow a cubic behavior:
ax³ + bx² + cx + d ~ y
[All x and y should be understood with an index i which is omitted for notational convenience.]
If there are more than four data points, you get an overdetermined system of equations, usually with no solution. The trick is to consider the error on the individual equations, e = ax³ + bx² + cx + d - y, and to minimize the total error. As the error is a signed number, negative errors would make minimization impossible. Instead, we minimize the sum of squared errors. (The sum of absolute errors is another option but it unfortunately leads to a much harder problem.)
Min(a, b, c, d) Σ(ax³ + bx² + cx + d - y)²
As the unknown parameters are unconstrained, it suffices to look for a stationary point, i.e. cancel the gradient of the total error. By differentiation on the unknowns a, b, c and d, we obtain
2Σ(ax³x³ + bx²x³ + cxx³ + dx³ - yx³) = 0
2Σ(ax³x² + bx²x² + cxx² + dx² - yx²) = 0
2Σ(ax³x + bx²x + cxx + dx - yx ) = 0
2Σ(ax³ + bx² + cx + d - y ) = 0
As you can recognize, this is a square linear system of equations.
I am trying to analyse a wave on a string by solving the wave equation with Python. Here are my requirements for the solution.
1) I model reflective ends by using much larger masses on first and last point on the string -> Large inertia
2)No spring on edges. Then k[0] and k[-1] will be ZERO.
I have problem with indices. In my 2nd loop I get y[i,j-1], k[i-1], y[i-1,j]. In the first iteration the loop will then use y[0,-1], k[-1], y[-1,0]. These are my last points and not my first points. How can I avoid this problem?
What you need is initiating your mass array with one additional element. I mean
...
m = [mi]*N # mass array [!!!] instead of (N-1) [!!!]
...
Idem for your springs
...
k = [ki]*N
...
Consequently, you can keep k[0] equal to 10. since you model reflective ends. You may thus want to comment or drop this line
...
##k[0] = 0
...
For aesthetic considerations you may want to fill the gap at the end of the x-axis. In this case, simply do
N = 201 # Number of mass points
Your code thus becomes
from numpy import *
from matplotlib.pyplot import *
# Variables
N = 201 # Number of mass points
nT = 1200 # Number of time points
mi = 0.02 # mass in kg
m = [mi]*N # mass array
m[-1] = 100 # Large last mass reflective edges
m[0] = 100 # Large first mass reflective edges
ki = 10.#spring
k = [ki]*N
k[-1] = 0
dx = 0.2
kappa = ki*dx
my = mi/dx
c = sqrt(kappa/my) # velocity
dt = 0.04
# 3 vectors
x = arange( N )*dx # x points
t = arange( N )*dt # t points
y = zeros( [N, nT ] )# 2D array
# Loop over initial condition
for i in range(N-1):
y[i,0] = sin((7.*pi*i)/(N-1)) # Initial condition dependent on mass point
# Iterating over time and position to find next position of wave
for j in range(nT-1):
for i in range(N-1):
y[i,j+1] = 2*y[i,j] - y[i,j-1] + (dt**2/m[i])*(k[i-1]*y[i+1,j] -2*k[i-1]*y[i,j] + k[i]*y[i-1,j] )
#check values of edges
print y[:2,j+1],y[-2:,j+1]
# Creates an animation
cla()
ylabel("Amplitude")
xlabel("x")
ylim(-10,10)
plot(x,y[:,j-2])
pause(0.001)
close()
which produces
Following your comment, I think that if you want to see the wave traveling along the string before reflection, you should not initiate conditions everywhere (in space). I mean, e.g., doing
...
# Loop over initial condition
for i in range(N-1):
ci_i = sin(7.*pi*i/(N-1)) # Initial condition dependent on mass point
if np.sign(ci_i*y[i-1,0])<0:
break
else:
y[i,0] = ci_i
...
produces
New attempt after answers:
from numpy import *
from matplotlib.pyplot import *
N = 201
nT = 1200
mi = 0.02
m = [mi]*(N)
m[-1] = 1000
m[0] = 1000
ki = 10.
k = [ki]*N
dx = 0.2
kappa = ki*dx
my = mi/dx
c = sqrt(kappa/my)
dt = 0.04
x = arange( N )*dx
t = arange( N )*dt
y = zeros( [N, nT ] )
for i in range(N-1):
y[i,0] = sin((7.*pi*i)/(N-1))
for j in range(nT-1):
for i in range(N-1):
if j == 0: # if j = 0 then ... y[i,j-1]=y[i,j]
y[i,j+1] = 2*y[i,j] - y[i,j] + (dt**2/m[i])*(k[i-1]*y[i+1,j] -2*k[i-1]*y[i,j] + k[i]*y[i-1,j] )
else:
y[i,j+1] = 2*y[i,j] - y[i,j-1] + (dt**2/m[i])*( k[i-1]*y[i+1,j] -2*k[i-1]*y[i,j] + k[i]*y[i-1,j] )
cla()
ylim(-1,1)
plot(x,y[:,j-2])
pause(0.0001)
ylabel("Amplitude")
xlabel("x")
print len(x), len(t), N,nT
Here is a plot of the new attempt at solution with |amplitude| of anti node equal 1.0. Will this do anything with further solving the issue with indices?
I should probably start of with saying I have no idea how to code and don't consider myself even a beginner when it comes to coding. That being said I would really appreciate some help with getting started with some code. As the title suggests I have to code what is known as the Ising model. The premise of the model is:
E= -Σ(hs(i)) - Σ(Js(i)*s(j))
this will follow what i believe is the Monte Carlo simulation. so for each configuration of {s(i)} there is a probability e^(-ßE{s(i)})
We start with a random spin to yield potential {s(i)}
If E(1)>E(0) we flip the sign
If E(1) < E(0), then you draw a random number and compare to e^(ß∆E)
if the number , say x is:
x< e^(ß∆E) then flip
x > e^(ß∆E) do nothing then {s(i)}={s(0)}
I hope that is enough info, but I did pickup some code which I think is relevant
import numpy as np
import random
def init_spin_array(rows, cols):
return np.ones((rows, cols))
def find_neighbors(spin_array, lattice, x, y):
left = (x, y - 1)
right = (x, (y + 1) % lattice)
top = (x - 1, y)
bottom = ((x + 1) % lattice, y)
return [spin_array[left[0], left[1]],
spin_array[right[0], right[1]],
spin_array[top[0], top[1]],
spin_array[bottom[0], bottom[1]]]
def energy(spin_array, lattice, x ,y):
return 2 * spin_array[x, y] * sum(find_neighbors(spin_array, lattice, x, y))
def main():
RELAX_SWEEPS = 50
lattice = eval(input("Enter lattice size: "))
sweeps = eval(input("Enter the number of Monte Carlo Sweeps: "))
for temperature in np.arange(0.1, 5.0, 0.1):
spin_array = init_spin_array(lattice, lattice)
# the Monte Carlo follows below
mag = np.zeros(sweeps + RELAX_SWEEPS)
for sweep in range(sweeps + RELAX_SWEEPS):
for i in range(lattice):
for j in range(lattice):
e = energy(spin_array, lattice, i, j)
if e <= 0:
spin_array[i, j] *= -1
elif np.exp((-1.0 * e)/temperature) > random.random():
spin_array[i, j] *= -1
mag[sweep] = abs(sum(sum(spin_array))) / (lattice ** 2)
print(temperature, sum(mag[RELAX_SWEEPS:]) / sweeps)
main()
All i need is to plot this info into a M vs T plot, and somehow change the code to allow three parameter h,J,T to be varied, as in if I hold T at a certain #, what is h vs. J plot look like. Please any help would be immensely appreciated.
I am trying to solve the following problem via a Finite Difference Approximation in Python using NumPy:
$u_t = k \, u_{xx}$, on $0 < x < L$ and $t > 0$;
$u(0,t) = u(L,t) = 0$;
$u(x,0) = f(x)$.
I take $u(x,0) = f(x) = x^2$ for my problem.
Programming is not my forte so I need help with the implementation of my code. Here is my code (I'm sorry it is a bit messy, but not too bad I hope):
## This program is to implement a Finite Difference method approximation
## to solve the Heat Equation, u_t = k * u_xx,
## in 1D w/out sources & on a finite interval 0 < x < L. The PDE
## is subject to B.C: u(0,t) = u(L,t) = 0,
## and the I.C: u(x,0) = f(x).
import numpy as np
import matplotlib.pyplot as plt
# definition of initial condition function
def f(x):
return x^2
# parameters
L = 1
T = 10
N = 10
M = 100
s = 0.25
# uniform mesh
x_init = 0
x_end = L
dx = float(x_end - x_init) / N
#x = np.zeros(N+1)
x = np.arange(x_init, x_end, dx)
x[0] = x_init
# time discretization
t_init = 0
t_end = T
dt = float(t_end - t_init) / M
#t = np.zeros(M+1)
t = np.arange(t_init, t_end, dt)
t[0] = t_init
# Boundary Conditions
for m in xrange(0, M):
t[m] = m * dt
# Initial Conditions
for j in xrange(0, N):
x[j] = j * dx
# definition of solution to u_t = k * u_xx
u = np.zeros((N+1, M+1)) # NxM array to store values of the solution
# finite difference scheme
for j in xrange(0, N-1):
u[j][0] = x**2 #initial condition
for m in xrange(0, M):
for j in xrange(1, N-1):
if j == 1:
u[j-1][m] = 0 # Boundary condition
else:
u[j][m+1] = u[j][m] + s * ( u[j+1][m] - #FDM scheme
2 * u[j][m] + u[j-1][m] )
else:
if j == N-1:
u[j+1][m] = 0 # Boundary Condition
print u, t, x
#plt.plot(t, u)
#plt.show()
So the first issue I am having is I am trying to create an array/matrix to store values for the solution. I wanted it to be an NxM matrix, but in my code I made the matrix (N+1)x(M+1) because I kept getting an error that the index was going out of bounds. Anyways how can I make such a matrix using numpy.array so as not to needlessly take up memory by creating a (N+1)x(M+1) matrix filled with zeros?
Second, how can I "access" such an array? The real solution u(x,t) is approximated by u(x[j], t[m]) were j is the jth spatial value, and m is the mth time value. The finite difference scheme is given by:
u(x[j],t[m+1]) = u(x[j],t[m]) + s * ( u(x[j+1],t[m]) - 2 * u(x[j],t[m]) + u(x[j-1],t[m]) )
(See here for the formulation)
I want to be able to implement the Initial Condition u(x[j],t[0]) = x**2 for all values of j = 0,...,N-1. I also need to implement Boundary Conditions u(x[0],t[m]) = 0 = u(x[N],t[m]) for all values of t = 0,...,M. Is the nested loop I created the best way to do this? Originally I tried implementing the I.C. and B.C. under two different for loops which I used to calculate values of the matrices x and t (in my code I still have comments placed where I tried to do this)
I think I am just not using the right notation but I cannot find anywhere in the documentation for NumPy how to "call" such an array so at to iterate through each value in the proposed scheme. Can anyone shed some light on what I am doing wrong?
Any help is very greatly appreciated. This is not homework but rather to understand how to program FDM for Heat Equation because later I will use similar methods to solve the Black-Scholes PDE.
EDIT: So when I run my code on line 60 (the last "else" that I use) I get an error that says invalid syntax, and on line 51 (u[j][0] = x**2 #initial condition) I get an error that reads "setting an array element with a sequence." What does that mean?
I am trying to optimize a snippet that gets called a lot (millions of times) so any type of speed improvement (hopefully removing the for-loop) would be great.
I am computing a correlation function of some j'th particle with all others
C_j(|r-r'|) = sqrt(E((s_j(r')-s_k(r))^2)) averaged over k.
My idea is to have a variable corrfun which bins data into some bins (the r, defined elsewhere). I find what bin of r each s_k belongs to and this is stored in ind. So ind[0] is the index of r (and thus the corrfun) for which the j=0 point corresponds to. Multiple points can fall into the same bin (in fact I want bins to be big enough to contain multiple points) so I sum together all of the (s_j(r')-s_k(r))^2 and then divide by number of points in that bin (stored in variable rw). The code I ended up making for this is the following (np is for numpy):
for k, v in enumerate(ind):
if j==k:
continue
corrfun[v] += (s[k]-s[j])**2
rw[v] += 1
rw2 = rw
rw2[rw < 1] = 1
corrfun = np.sqrt(np.divide(corrfun, rw2))
Note, the rw2 business was because I want to avoid divide by 0 problems but I do return the rw array and I want to be able to differentiate between the rw=0 and rw=1 elements. Perhaps there is a more elegant solution for this as well.
Is there a way to make the for-loop faster? While I would like to not add the self interaction (j==k) I am even ok with having self interaction if it means I can get significantly faster calculation (length of ind ~ 1E6 so self interaction is probably insignificant anyways).
Thank you!
Ilya
Edit:
Here is the full code. Note, in the full code I am averaging over j as well.
import numpy as np
def twopointcorr(x,y,s,dr):
width = np.max(x)-np.min(x)
height = np.max(y)-np.min(y)
n = len(x)
maxR = np.sqrt((width/2)**2 + (height/2)**2)
r = np.arange(0, maxR, dr)
print(r)
corrfun = r*0
rw = r*0
print(maxR)
''' go through all points'''
for j in range(0, n-1):
hypot = np.sqrt((x[j]-x)**2+(y[j]-y)**2)
ind = [np.abs(r-h).argmin() for h in hypot]
for k, v in enumerate(ind):
if j==k:
continue
corrfun[v] += (s[k]-s[j])**2
rw[v] += 1
rw2 = rw
rw2[rw < 1] = 1
corrfun = np.sqrt(np.divide(corrfun, rw2))
return r, corrfun, rw
I debug test it the following way
from twopointcorr import twopointcorr
import numpy as np
import matplotlib.pyplot as plt
import time
n=1000
x = np.random.rand(n)
y = np.random.rand(n)
s = np.random.rand(n)
print('running two point corr functinon')
start_time = time.time()
r,corrfun,rw = twopointcorr(x,y,s,0.1)
print("--- Execution time is %s seconds ---" % (time.time() - start_time))
fig1=plt.figure()
plt.plot(r, corrfun,'-x')
fig2=plt.figure()
plt.plot(r, rw,'-x')
plt.show()
Again, the main issue is that in the real dataset n~1E6. I can resample to make it smaller, of course, but I would love to actually crank through the dataset.
Here is the code that use broadcast, hypot, round, bincount to remove all the loops:
def twopointcorr2(x, y, s, dr):
width = np.max(x)-np.min(x)
height = np.max(y)-np.min(y)
n = len(x)
maxR = np.sqrt((width/2)**2 + (height/2)**2)
r = np.arange(0, maxR, dr)
osub = lambda x:np.subtract.outer(x, x)
ind = np.clip(np.round(np.hypot(osub(x), osub(y)) / dr), 0, len(r)-1).astype(int)
rw = np.bincount(ind.ravel())
rw[0] -= len(x)
corrfun = np.bincount(ind.ravel(), (osub(s)**2).ravel())
return r, corrfun, rw
to compare, I modified your code as follows:
def twopointcorr(x,y,s,dr):
width = np.max(x)-np.min(x)
height = np.max(y)-np.min(y)
n = len(x)
maxR = np.sqrt((width/2)**2 + (height/2)**2)
r = np.arange(0, maxR, dr)
corrfun = r*0
rw = r*0
for j in range(0, n):
hypot = np.sqrt((x[j]-x)**2+(y[j]-y)**2)
ind = [np.abs(r-h).argmin() for h in hypot]
for k, v in enumerate(ind):
if j==k:
continue
corrfun[v] += (s[k]-s[j])**2
rw[v] += 1
return r, corrfun, rw
and here is the code to check the results:
import numpy as np
n=1000
x = np.random.rand(n)
y = np.random.rand(n)
s = np.random.rand(n)
r1, corrfun1, rw1 = twopointcorr(x,y,s,0.1)
r2, corrfun2, rw2 = twopointcorr2(x,y,s,0.1)
assert np.allclose(r1, r2)
assert np.allclose(corrfun1, corrfun2)
assert np.allclose(rw1, rw2)
and the %timeit results:
%timeit twopointcorr(x,y,s,0.1)
%timeit twopointcorr2(x,y,s,0.1)
outputs:
1 loop, best of 3: 5.16 s per loop
10 loops, best of 3: 134 ms per loop
Your original code on my system runs in about 5.7 seconds. I fully vectorized the inner loop and got it to run in 0.39 seconds. Simply replace your "go through all points" loop with this:
points = np.column_stack((x,y))
hypots = scipy.spatial.distance.cdist(points, points)
inds = np.rint(hypots.clip(max=maxR) / dr).astype(np.int)
# go through all points
for j in range(n): # n.b. previously n-1, not sure why
ind = inds[j]
np.add.at(corrfun, ind, (s - s[j])**2)
np.add.at(rw, ind, 1)
rw[ind[j]] -= 1 # subtract self
The first observation was that your hypot code was computing 2D distances, so I replaced that with cdist from SciPy to do it all in a single call. The second was that the inner for loop was slow, and thanks to an insightful comment from #hpaulj I vectorized that as well using np.add.at().
Since you asked how to vectorize the inner loop as well, I did that later. It now takes 0.25 seconds to run, for a total speedup of over 20x. Here's the final code:
points = np.column_stack((x,y))
hypots = scipy.spatial.distance.cdist(points, points)
inds = np.rint(hypots.clip(max=maxR) / dr).astype(np.int)
sn = np.tile(s, (n,1)) # n copies of s
diffs = (sn - sn.T)**2 # squares of pairwise differences
np.add.at(corrfun, inds, diffs)
rw = np.bincount(inds.flatten(), minlength=len(r))
np.subtract.at(rw, inds.diagonal(), 1) # subtract self
This uses more memory but does produce a substantial speedup vs. the single-loop version above.
Ok, so as it turns out outer products are incredibly memory expensive, however, using answers from #HYRY and #JohnZwinck i was able to make code that is still roughly linear in n in memory and computes fast (0.5 seconds for the test case)
import numpy as np
def twopointcorr(x,y,s,dr,maxR=-1):
width = np.max(x)-np.min(x)
height = np.max(y)-np.min(y)
n = len(x)
if maxR < dr:
maxR = np.sqrt((width/2)**2 + (height/2)**2)
r = np.arange(0, maxR+dr, dr)
corrfun = r*0
rw = r*0
for j in range(0, n):
ind = np.clip(np.round(np.hypot(x[j]-x,y[j]-y) / dr), 0, len(r)-1).astype(int)
np.add.at(corrfun, ind, (s - s[j])**2)
np.add.at(rw, ind, 1)
rw[0] -= n
corrfun = np.sqrt(np.divide(corrfun, np.maximum(rw,1)))
r=np.delete(r,-1)
rw=np.delete(rw,-1)
corrfun=np.delete(corrfun,-1)
return r, corrfun, rw