Have I implemented Milstein's method/Euler-Maruyama correctly? - python

I have an stochastic differential equation (SDE) that I am trying to solve using Milsteins method but am getting results that disagree with experiment.
The SDE is
which I have broken up into 2 first order equations:
eq1:
eq2:
Then I have used the Ito form:
So that for eq1:
and for eq2:
My python code used to attempt to solve this is like so:
# set constants from real data
Gamma0 = 4000 # defines enviromental damping
Omega0 = 75e3*2*np.pi # defines the angular frequency of the motion
eta = 0 # set eta 0 => no effect from non-linear p*q**2 term
T_0 = 300 # temperature of enviroment
k_b = scipy.constants.Boltzmann
m = 3.1e-19 # mass of oscillator
# set a and b functions for these 2 equations
def a_p(t, p, q):
return -(Gamma0 - Omega0*eta*q**2)*p
def b_p(t, p, q):
return np.sqrt(2*Gamma0*k_b*T_0/m)
def a_q(t, p, q):
return p
# generate time data
dt = 10e-11
tArray = np.arange(0, 200e-6, dt)
# initialise q and p arrays and set initial conditions to 0, 0
q0 = 0
p0 = 0
q = np.zeros_like(tArray)
p = np.zeros_like(tArray)
q[0] = q0
p[0] = p0
# generate normally distributed random numbers
dwArray = np.random.normal(0, np.sqrt(dt), len(tArray)) # independent and identically distributed normal random variables with expected value 0 and variance dt
# iterate through implementing Milstein's method (technically Euler-Maruyama since b' = 0
for n, t in enumerate(tArray[:-1]):
dw = dwArray[n]
p[n+1] = p[n] + a_p(t, p[n], q[n])*dt + b_p(t, p[n], q[n])*dw + 0
q[n+1] = q[n] + a_q(t, p[n], q[n])*dt + 0
Where in this case p is velocity and q is position.
I then get the following plots of q and p:
I expected the resulting plot of position to look something like the following, which I get from experimental data (from which the constants used in the model are determined):
Have I implemented Milstein's method correctly?
If I have, what else might be wrong my process of solving the SDE that'd causing this disagreement with the experiment?

You missed a term in the drift coefficient, note that to the right of dp there are two dt terms. Thus
def a_p(t, p, q):
return -(Gamma0 - Omega0*eta*q**2)*p - Omega0**2*q
which is actually the part that makes the oscillator into an oscillator. With that corrected the solution looks like
And no, you did not implement the Milstein method as there are no derivatives of b_p which are what distinguishes Milstein from Euler-Maruyama, the missing term is +0.5*b'(X)*b(X)*(dW**2-dt).
There is also a derivative-free version of Milsteins method as a two-stage kind-of Runge-Kutta method, documented in wikipedia or the original in arxiv.org (PDF).
The step there is (vector based, duplicate into X=[p,q], K1=[k1_p,k1_q] etc. to be close to your conventions)
S = random_choice_of ([-1,1])
K1 = a(X )*dt + b(X )*(dW - S*sqrt(dt))
Xh = X + K1
K2 = a(Xh)*dt + b(Xh)*(dW + S*sqrt(dt))
X = X + 0.5 * (K1+K2)

Related

While loop for Python odient solver?

I have a mathematical model of differential equations that begins as linear and then uses correctional coefficients after reaching a certain value (1).
Currently, I solve the linear function independently, find out where the array goes from less than 1 to greater than 1, and then use that value from the array as the new initial condition. I also correct the time scale.
def vttmodel_linear(m,t,tm,tv,M_max):
n = 1/(7*tm)
dMdt = n
return dMdt
M_0 = 0
M_max = 1 + 7*((RH_crit-RH)/(RH_crit-100)) - 2*np.square((RH_crit-RH)/(RH_crit-100))
print(M_max)
# tm = days
# M = weeks so 7*tm
t = np.arange(0,104+1)
tm = np.exp(-0.68*np.log(T) - 13.9*np.log(RH) + 0.14*W - 0.33*SQ + 66.02)
tv = np.exp(-0.74*np.log(T) - 12.72*np.log(RH) + 0.06*W + 61.50)
m = odient(vttmodel_linear, M_0, t, args=(tm,tv,M_max))
M_0 = m[(np.where(m>1)[0][0])-1]
t = np.where(m>1)[0]
Then I use the new initial condition, M_0 and the updated time scale to solve the non-linear portion of the model.
def vttmodel(M,t,tm,tv,M_max):
n = 1/(7*tm)
k1 = 2/((tv/tm)-1)
k2 = np.max([1-np.exp(2.3*(M-M_max)), 0])
dMdt = n*k1*k2
return dMdt
M = odient(vttmodel, M_0, t, args=(tm,tv,M_max))
I then splice the arrays m and M at the location I found earlier and graph the result.
I would like to find a simplified way to do this. I have tried using If statements within the odient function and also a While loop when calling the two functions, but have not had any luck interrupting the odient function. Suggestions would be helpful. Thank you.

Simulate a coupled ordinary differential equation

I want to write a program which turns a 2nd order differential equation into two ordinary differential equations but I don't know how I can do that in Python.
I am getting lots of errors, please help in writing the code correctly.
from scipy.integrate import solve_ivp
import matplotlib.pyplot as plt
import numpy as np
N = 30 # Number of coupled oscillators.
alpha=0.25
A = 1.0
# Initial positions.
y[0] = 0 # Fix the left-hand side at zero.
y[N+1] = 0 # Fix the right-hand side at zero.
# The range(1,N+1) command only prints out [1,2,3, ... N].
for p in range(1, N+1): # p is particle number.
y[p] = A * np.sin(3 * p * np.pi /(N+1.0))
####################################################
# Initial velocities.
####################################################
v[0] = 0 # The left and right boundaries are
v[N+1] = 0 # clamped and don't move.
# This version sets them all the particle velocities to zero.
for p in range(1, N+1):
v[p] = 0
w0 = [v[p], y[p]]
def accel(t,w):
v[p], y[p] = w
global a
a[0] = 0.0
a[N+1] = 0.0
# This version loops explicitly over all the particles.
for p in range(1,N+1):
a[p] = [v[p], y(p+1)+y(p-1)-2*y(p)+ alpha * ((y[p+1] - y[p])**2 - (y[p] - y[p-1])**2)]
return a
duration = 50
t = np.linspace(0, duration, 800)
abserr = 1.0e-8
relerr = 1.0e-6
solution = solve_ivp(accel, [0, duration], w0, method='RK45', t_eval=t,
vectorized=False, dense_output=True, args=(), atol=abserr, rtol=relerr)
Most general-purpose solvers do not do structured state objects. They just work with a flat array as representation of the state space points. From the construction of the initial point you seem to favor the state space ordering
[ v[0], v[1], ... v[N+1], y[0], y[1], ..., y[N+1] ]
This allows to simply split both and to assemble the derivatives vector from the velocity and acceleration arrays.
Let's keep things simple and separate functionality in small functions
a = np.zeros(N+2)
def accel(y):
global a ## initialized to the correct length with zero, avoids repeated allocation
a[1:-1] = y[2:]+y[:-2]-2*y[1:-1] + alpha*((y[2:]-y[1:-1])**2-(y[1:-1]-y[:-2])**2)
return a
def derivs(t,w):
v,y = w[:N+2], w[N+2:]
return np.concatenate([accel(y), v])
or keeping the theme of avoiding allocations
dwdt = np.zeros(2*N+4)
def derivs(t,w):
global dwdt
v,y = w[:N+2], w[N+2:]
dwdt[:N+2] = accel(y)
dwdt[N+2:] = v
return dwdt
Now you only need to set
w0=np.concatenate([v,y])
to rapidly get to a more interesting class of errors.

How can I optimize this code in python? For solving stochastic differential equations

I am developing a code that uses a method called Platen to solve stochastic differential equations. Then I must solve that stochastic differential equation many times (on the order of 10,000 times) to average all the results. My code is:
import numpy as np
import random
import numba
#numba.jit(nopython=True)
def integrador2(y,t,h): #this is the integrator of the function that solves the SDE
m = 6.6551079E-26 #parameters
gamma=0.05
T = 5E-3
k_b = 1.3806488E-23
b=np.sqrt(2*m*gamma*T*k_b)
c=np.sqrt(h)
for i in range(len(t)):
dW=c*random.gauss(0,1)
A=np.array([y[i,-1]/m,-gamma*y[i,-1]]) #this is the platen method that is applied at
B_dW=np.array([0,b*dW]) #each time step
z=y[i]+A*h+B_dW
Az=np.array([z[-1]/m,-gamma*z[-1]])
y[i+1]=y[i]+1/2*(Az+A)*h+B_dW
return y
def media(args): #args is a tuple with the parameters
y = args[0]
t = args[1]
k = args[2]
x=0
p=0
for n in range(k): #k=number of trajectories
y=integrador2(y,t,h)
x=(1./(n+1))*(n*x+y[:,0]) #I do the average like this so as not to have to save all the
p=(1./(n+1))*(n*p+y[:,1]) #solutions in memory
return x,p
The variables y, t and h are:
y0 = np.array([initial position, initial moment]) #initial conditions
t = np.linspace(initial time, final time, number of time intervals) #time array
y = np.zeros((len(t)+1,len(y0))) #array of positions and moments
y[0,:]=np.array(y0) #I keep the initial condition
h = (final time-initial time)/(number of time intervals) #time increment
I need to be able to run the program for a number of time intervals of 10 ** 7 and solve it 10 ** 4 times (k = 10 ** 4).
I feel that I have already reached a dead end because I already accelerate the function that calculates the result with Numba and then (although I do not put it here) I parallelize the "media" function to work with the four cores that my computer has. Even doing all this, my program takes an hour and a half to execute for 10 ** 6 time intervals and k = 10 ** 4, I have not had the courage to execute it for 10 ** 7 time intervals because my intuition tells me that it would take more than 10 hours.
I would really appreciate if someone could advise me to make some parts of the code faster.
Finally, I apologize if I have not expressed myself completely correctly in any part of the question, I am a physicist, not a computer scientist and my English is far from perfect.
I can save about 75% of compute time by simplifying the math in the loop:
def integrador2(y,t,h): #this is the integrator of the function that solves the SDE
m = 6.6551079E-26 #parameters
gamma=0.05
T = 5E-3
k_b = 1.3806488E-23
b=np.sqrt(2*m*gamma*T*k_b)
c=np.sqrt(h)
h = h * 1.
coeff0 = h/m - gamma*h**2/(2.*m)
coeff1 = (1. - gamma*h + gamma**2*h**2/2.)
coeffd = c*b*(1. - gamma*h/2.)
for i in range(len(t)):
dW=np.random.normal()
# Method 2
y[i+1] = np.array([y[i][0] + y[i][1]*coeff0, y[i][1]*coeff1 + dW*coeffd])
return y
Here's a method using filters with scipy, which I don't think is compatible with Numba, but is slightly faster than the solution above:
from scipy import signal
# #numba.jit(nopython=True)
def integrador2(y,t,h): #this is the integrator of the function that solves the SDE
m = 6.6551079E-26 #parameters
gamma=0.05
T = 5E-3
k_b = 1.3806488E-23
b=np.sqrt(2*m*gamma*T*k_b)
c=np.sqrt(h)
h = h * 1.
coeff0a = 1.
coeff0b = h/m - gamma*h**2/(2.*m)
coeff1 = (1. - gamma*h + gamma**2*h**2/2.)
coeffd = c*b*(1. - gamma*h/2.)
noise = np.zeros(y.shape[0])
noise[1:] = np.random.normal(0.,coeffd*1.,y.shape[0]-1)
noise[0] = y[0,1]
a = [1, -coeff1]
b = [1]
y[1:,1] = signal.lfilter(b,a,noise)[1:]
a = [1, -coeff0a]
b = [coeff0b]
y[1:,0] = signal.lfilter(b,a,y[:,1])[1:]
return y

I am newbie in python and doing coding for my physics project which requires to generate a matrix with a variable E

I am newbie in python and doing coding for my physics project which requires to generate a matrix with a variable E for which first element of the matrix has to be solved. Please help me. Thanks in advance.
Here is the part of code
import numpy as np
import pylab as pl
import math
import cmath
import sympy as sy
from scipy.optimize import fsolve
#Constants(Values at temp 10K)
hbar = 1.055E-34
m0=9.1095E-31 #free mass of electron
q= 1.602E-19
v = [0.510,0,0.510] # conduction band offset in eV
m1= 0.043 #effective mass in In_0.53Ga_0.47As
m2 = 0.072 #effective mass in Al_0.48In_0.52As
d = [-math.inf,100,math.inf] # dimension of structure in nanometers
'''scaling factor to with units of E in eV, mass in terms of free mass of electron, length in terms
of nanometers '''
s = (2*q*m0*1E-18)/(hbar)**2
#print('scaling factor is ',s)
E = sy.symbols('E') #Suppose energy of incoming particle is 0.3eV
m = [0.043,0.072,0.043] #effective mass of electrons in layers
for i in range(3):
print ('Effective mass of e in layer', i ,'is', m[i])
k=[ ] #Defining an array for wavevectors in different layers
for i in range(3):
k.append(sy.sqrt(s*m[i]*(E-v[i])))
print('Wave vector in layer',i,'is',k[i])
x = []
for i in range(2):
x.append((k[i+1]*m[i])/(k[i]*m[i+1]))
# print(x[i])
#Define Boundary condition matrix for two interfaces.
D0 = (1/2)*sy.Matrix([[1+x[0],1-x[0]], [1-x[0], 1+x[0]]], dtype = complex)
#print(D0)
#A = sy.matrix2numpy(D0,dtype=complex)
D1 = (1/2)*sy.Matrix([[1+x[1],1-x[1]], [1-x[1], 1+x[1]]], dtype = complex)
#print(D1)
#a=eye(3,3)
#print(a)
#Define Propagation matrix for 2nd layer or quantum well
#print(d[1])
#print(k[1])
P1 = 1*sy.Matrix([[sy.exp(-1j*k[1]*d[1]), 0],[0, sy.exp(1j*k[1]*d[1])]], dtype = complex)
#print(P1)
print("abs")
T= D0*P1*D1
#print('Transfer Matrix is given by:',T)
#print('Dimension of tranfer matrix T is' ,T.shape)
#print(T[0,0]
# I want to solve T{0,0} = 0 equation for E
def f(x):
return T[0,0]
x0= 0.5 #intial guess
x = fsolve(f, x0)
print("E is",x)
'''
y=sy.Eq(T[0,0],0)
z=sy.solve(y,E)
print('z',z)
'''
**The main part i guess is the part of the code where i am trying to solve the equation.***Steps I am following:
Defining a symbol E by using sympy
Generating three matrices which involves sum formulae and with variable E
Generating a matrix T my multiplying those 3 matrices,note that elements are complex and involves square roots of negative number.
I need to solve first element of this matrix T[0,0]=0,for variable E and find out value of E. I used fsolve for soving T[0,0]=0.*
Just a note for future questions, please leave out unused imports such as numpy and leave out zombie code like # a = eye(3,3). This helps keep the code as clean and short as possible. Also, the sample code would not run because of indentation problems, so when you copy and paste code, make sure it works before you do so. Always try to make your questions as short and modular as possible.
The expression of T[0,0] is too complex to solve analytically by SymPy so numerical approximation is needed. This leaves 2 options:
using SciPy's solvers which are advanced but require type casting to float values since SciPy does not deal with SymPy objects in any way.
using SymPy's root solvers which are less advanced but are probably simpler to use.
Both of these will only ever produce a single number as output since you can't expect numeric solvers to find every root. If you wanted to find more than one, then I advise that you use a list of points that you want to use as initial values, input each of them into the solvers and keep track of the distinct outputs. This will however never guarantee that you have obtained every root.
Only mix SciPy and SymPy if you are comfortable using both with no problems. SciPy doesn't play at all with SymPy and you should only have list, float, and complex instances when working with SciPy.
import math
import sympy as sy
from scipy.optimize import newton
# Constants(Values at temp 10K)
hbar = 1.055E-34
m0 = 9.1095E-31 # free mass of electron
q = 1.602E-19
v = [0.510, 0, 0.510] # conduction band offset in eV
m1 = 0.043 # effective mass in In_0.53Ga_0.47As
m2 = 0.072 # effective mass in Al_0.48In_0.52As
d = [-math.inf, 100, math.inf] # dimension of structure in nanometers
'''scaling factor to with units of E in eV, mass in terms of free mass of electron, length in terms
of nanometers '''
s = (2 * q * m0 * 1E-18) / hbar ** 2
E = sy.symbols('E') # Suppose energy of incoming particle is 0.3eV
m = [0.043, 0.072, 0.043] # effective mass of electrons in layers
for i in range(3):
print('Effective mass of e in layer', i, 'is', m[i])
k = [] # Defining an array for wavevectors in different layers
for i in range(3):
k.append(sy.sqrt(s * m[i] * (E - v[i])))
print('Wave vector in layer', i, 'is', k[i])
x = []
for i in range(2):
x.append((k[i + 1] * m[i]) / (k[i] * m[i + 1]))
# Define Boundary condition matrix for two interfaces.
D0 = (1 / 2) * sy.Matrix([[1 + x[0], 1 - x[0]], [1 - x[0], 1 + x[0]]], dtype=complex)
D1 = (1 / 2) * sy.Matrix([[1 + x[1], 1 - x[1]], [1 - x[1], 1 + x[1]]], dtype=complex)
# Define Propagation matrix for 2nd layer or quantum well
P1 = 1 * sy.Matrix([[sy.exp(-1j * k[1] * d[1]), 0], [0, sy.exp(1j * k[1] * d[1])]], dtype=complex)
print("abs")
T = D0 * P1 * D1
# did not converge for 0.5
x0 = 0.75
# method 1:
def f(e):
# evaluate T[0,0] at e and remove all sympy related things.
result = complex(T[0, 0].replace(E, e))
return result
solution1 = newton(f, x0)
print(solution1)
# method 2:
solution2 = sy.nsolve(T[0,0], E, x0)
print(solution2)
This prints:
(0.7533104353644469-0.023775286117722193j)
1.00808496181754 - 0.0444042144405285*I
Note that the first line is a native Python complex instance while the second is an instance of SymPy's complex number. One can convert the second simply with print(complex(solution2)).
Now, you'll notice that they produce different numbers but both are correct. This function seems to have a lot of zeros as can be shown from the Geogebra plot:
The red axis is Re(E), green is Im(E) and blue is |T[0,0]|. Each of those "spikes" are probably zeros.

How can I stop my Runge-Kutta2 (Heun) method from exploding?

I am currently trying to write some python code to solve an arbitrary system of first order ODEs, using a general explicit Runge-Kutta method defined by the values alpha, gamma (both vectors of dimension m) and beta (lower triangular matrix of dimension m x m) of the Butcher table which are passed in by the user. My code appears to work for single ODEs, having tested it on a few different examples, but I'm struggling to generalise my code to vector valued ODEs (i.e. systems).
In particular, I try to solve a Van der Pol oscillator ODE (reduced to a first order system) using Heun's method defined by the Butcher Tableau values given in my code, but I receive the errors
"RuntimeWarning: overflow encountered in double_scalars f = lambda t,u: np.array(... etc)" and
"RuntimeWarning: invalid value encountered in add kvec[i] = f(t+alpha[i]*h,y+h*sum)"
followed by my solution vector that is clearly blowing up. Note that the commented out code below is one of the examples of single ODEs that I tried and is solved correctly. Could anyone please help? Here is my code:
import numpy as np
def rk(t,y,h,f,alpha,beta,gamma):
'''Runga Kutta iteration'''
return y + h*phi(t,y,h,f,alpha,beta,gamma)
def phi(t,y,h,f,alpha,beta,gamma):
'''Phi function for the Runga Kutta iteration'''
m = len(alpha)
count = np.zeros(len(f(t,y)))
kvec = k(t,y,h,f,alpha,beta,gamma)
for i in range(1,m+1):
count = count + gamma[i-1]*kvec[i-1]
return count
def k(t,y,h,f,alpha,beta,gamma):
'''returning a vector containing each step k_{i} in the m step Runga Kutta method'''
m = len(alpha)
kvec = np.zeros((m,len(f(t,y))))
kvec[0] = f(t,y)
for i in range(1,m):
sum = np.zeros(len(f(t,y)))
for l in range(1,i+1):
sum = sum + beta[i][l-1]*kvec[l-1]
kvec[i] = f(t+alpha[i]*h,y+h*sum)
return kvec
def timeLoop(y0,N,f,alpha,beta,gamma,h,rk):
'''function that loops through time using the RK method'''
t = np.zeros([N+1])
y = np.zeros([N+1,len(y0)])
y[0] = y0
t[0] = 0
for i in range(1,N+1):
y[i] = rk(t[i-1],y[i-1], h, f,alpha,beta,gamma)
t[i] = t[i-1]+h
return t,y
#################################################################
'''f = lambda t,y: (c-y)**2
Y = lambda t: np.array([(1+t*c*(c-1))/(1+t*(c-1))])
h0 = 1
c = 1.5
T = 10
alpha = np.array([0,1])
gamma = np.array([0.5,0.5])
beta = np.array([[0,0],[1,0]])
eff_rk = compute(h0,Y(0),T,f,alpha,beta,gamma,rk, Y,11)'''
#constants
mu = 100
T = 1000
h = 0.01
N = int(T/h)
#initial conditions
y0 = 0.02
d0 = 0
init = np.array([y0,d0])
#Butcher Tableau for Heun's method
alpha = np.array([0,1])
gamma = np.array([0.5,0.5])
beta = np.array([[0,0],[1,0]])
#rhs of the ode system
f = lambda t,u: np.array([u[1],mu*(1-u[0]**2)*u[1]-u[0]])
#solving the system
time, sol = timeLoop(init,N,f,alpha,beta,gamma,h,rk)
print(sol)
Your step size is not small enough. The Van der Pol oscillator with mu=100 is a fast-slow system with very sharp turns at the switching of the modes, so rather stiff. With explicit methods this requires small step sizes, the smallest sensible step size is 1e-5 to 1e-6. You get a solution on the limit cycle already for h=0.001, with resulting velocities up to 150.
You can reduce some of that stiffness by using a different velocity/impulse variable. In the equation
x'' - mu*(1-x^2)*x' + x = 0
you can combine the first two terms into a derivative,
mu*v = x' - mu*(1-x^2/3)*x
so that
x' = mu*(v+(1-x^2/3)*x)
v' = -x/mu
The second equation is now uniformly slow close to the limit cycle, while the first has long relatively straight jumps when v leaves the cubic v=x^3/3-x.
This integrates nicely with the original h=0.01, keeping the solution inside the box [-3,3]x[-2,2], even if it shows some strange oscillations that are not present for smaller step sizes and the exact solution.

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