Function minimization with error in Python - python

I have a function of the form: (y1,y2,y3)=x*(a1,a2,a3)+(b1,b2,b3), where x,y1,y2,y3 are measured values and a1,a2,a3,b1,b2,b3 are parameters I want to fit for. I also have some measurement errors associated with x,y1,y2,y3. I would like to fit this function for a1,a2,a3,b1,b2,b3, and obtain an error on the values of each of these parameters, while taking into account the errors on x,y1,y2,y3. How can I do this? I looked into scipy and lmfit, but I didn't really find something that allows me to both pass the errors on the measured points and return the errors on the fitted parameters. Here is some code I have for the data I need to fit:
import numpy as np
x = np.array([1,2,3,4,5])
err_x = np.array([0.1,0.1,0.2,0.2,0.1])
y = []
for i in range(len(x)):
y = y + [x[i]*np.array([3,4,5])+np.array([-2,3,1])]
y = np.array(y)
err_y = np.array([[0.2,0.2,0.1],[0.2,0.2,0.1],[0.2,0.2,0.1],[0.2,0.2,0.1],[0.2,0.2,0.1]])

Related

How to fit experimental data in Python to inverse trigonometric function with limited definition area using scipy.curve_fit?

I am trying to fit some experimental data to a nonlinear function with one parameter that includes an arcus cosine function which therefore is limited in its area of definition from -1 to 1. I use scipy's curve_fit to find the parameter of the function, but it returns the following error:
RuntimeError: Optimal parameters not found: Number of calls to function has reached maxfev = 400.
The function I want to fit is this one:
def fitfunc(x, a):
y = np.rad2deg(np.arccos(x*np.cos(np.deg2rad(a))))
return y
For the fitting, I provid a numpy array for x and y respectively which contain values in degree (which is why the function contains conversion to and from radians).
param, param_cov = curve_fit(fitfunc, xs, ys)
When I use other fit functions like for example a polynomial, the curve_fit returns some values, the error mentioned above only occurs when I use this function which includes an arcus cosine.
I suspect that it cannot fit the data points because depending on the parameter of the arcus cosine function, some data points do not lie inside the area of definition of the arcus cosine. I have tried raising the number iterations (maxfev) but without success.
Sample data:
ys = np.array([113.46125, 129.4225, 140.88125, 145.80375, 145.4425,
146.97125, 97.8025, 112.91125, 114.4325, 119.16125,
130.13875, 134.63125, 129.4375, 141.99, 139.86,
138.77875, 137.91875, 140.71375])
xs = np.array([2.786427013, 3.325624466, 3.473013087, 3.598247534, 4.304280248,
4.958273121, 2.679526725, 2.409388637, 2.606306639, 3.661558062,
4.569923009, 4.836843789, 3.377013596, 3.664550526, 4.335401233,
3.064199519, 3.97155254, 4.100567011])
As HS-nebula mentioned in his comments, you need to define an initial value a0 of a as a start guess for the curve-fitting. Moreover, you need to be careful when choosing a0 as your np.arcos() is only defined in [-1,1] and choosing the wrong a0 results in error.
import numpy as np
from scipy.optimize import curve_fit
ys = np.array([113.46125, 129.4225, 140.88125, 145.80375, 145.4425, 146.97125,
97.8025, 112.91125, 114.4325, 119.16125, 130.13875, 134.63125,
129.4375, 141.99, 139.86, 138.77875, 137.91875, 140.71375])
xs = np.array([2.786427013, 3.325624466, 3.473013087, 3.598247534, 4.304280248, 4.958273121,
2.679526725, 2.409388637, 2.606306639, 3.661558062, 4.569923009, 4.836843789,
3.377013596, 3.664550526, 4.335401233, 3.064199519, 3.97155254, 4.100567011])
def fit_func(x, a):
a_in_rad = np.deg2rad(a)
cos_a_in_rad = np.cos(a_in_rad)
arcos_xa_product = np.arccos( x * cos_a_in_rad )
return np.rad2deg(arcos_xa_product)
a0 = 80
param, param_cov = curve_fit(fit_func, xs, ys, a0, bounds = (0, 360))
print('Using curve we retrieve a value of a = ', param[0])
Output:
Using curve we retrieve a value of a = 100.05275506147824
However if you choose a0=60, you get the following error:
ValueError: Residuals are not finite in the initial point.
To be able to use the data with all possible values of a, a normalization as HS-nebula suggested is good idea.

The shape variable in pymc3.DensityDist does not work properly

I am trying to define a multivariate custom distribution through pymc3.DensityDist(); however, I keep getting the following error that dimensions do not match:
"LinAlgError: 0-dimensional array given. Array must be two-dimensional"
I have already seen https://github.com/pymc-devs/pymc3/issues/535 but I could not find the answer to my question. Just for clarity, here is my simple example
import numpy as np
import pymc3 as pm
def pdf(x):
y = 0
print(x)
sigma = np.identity(2)
isigma = sigma
mu = np.array([[1,2],[3,4]])
for i in range(2):
x0 = x- mu[i,:]
xsinv = np.linalg.multi_dot([x0,isigma,x0])
y = y + np.exp(-0.5*xsinv)
return y
logp = lambda x: np.log(pdf(x))
with pm.Model() as model:
pm.DensityDist('x',logp, shape=2)
step = pm.Metropolis(tune=False, S=np.identity(2))
trace = pm.sample(100000, step=step, chain=1, tune=0,progressbar=False)
result = trace['x']
In this simple code I want to define an unnormilized pdf function, which is sum of two unnormalized normal distributions, and take samples from this pdf through Metropolis algorithm.
Thanks,
Try replacing numpy for theano in the following lines:
xsinv = tt.dot(tt.dot(x0, isigma), x0)
y = y + tt.exp(-0.5 * xsinv)
as a side note, try using NUTS instead of metropolis and let PyMC3 choose the sampling method for you, just do
trace = pm.sample(1000)
For future reference you can also ask questions here

Multiple Linear Regression using Python

Firstly, there are a few topics on this but they involve deprecated packages with pandas etc. Suppose I'm trying to predict a variable w with variables x,y and z. I want to run a multiple linear regression to try and predict w. There are quite a few solutions that will produce the coefficients but I'm not sure how to use these. So, in pseudocode;
import numpy as np
from scipy import stats
w = np.array((1,2,3,4,5,6,7,8,9,10)) # Time series I'm trying to predict
x = np.array((1,3,6,1,4,6,8,9,2,2)) # The three variables to predict w
y = np.array((2,7,6,1,5,6,3,9,5,7))
z = np.array((1,3,4,7,4,8,5,1,8,2))
def model(w,x,y,z):
# do something!
return guess # where guess is some 10 element array formed
# using multiple linear regression of x,y,z
guess = model(w,x,y,z)
r = stats.pearsonr(w,guess) # To see how good guess is
Hopefully this makes sense as I'm new to MLR. There is probably a package in scipy that does all this so any help welcome!
You can use the normal equation method.
Let your equation be of the form : ax+by+cz +d =w
Then
import numpy as np
x = np.asarray([[1,3,6,1,4,6,8,9,2,2],
[2,7,6,1,5,6,3,9,5,7],
[1,3,4,7,4,8,5,1,8,2],
[1,1,1,1,1,1,1,1,1,1]]).T
y = numpy.asarray([1,2,3,4,5,6,7,8,9,10]).T
a,b,c,d = np.linalg.pinv((x.T).dot(x)).dot(x.T.dot(y))
Think I've found out now. If anyone could confirm that this produces the correct results that'd be great!
import numpy as np
from scipy import stats
# What I'm trying to predict
y = [-6,-5,-10,-5,-8,-3,-6,-8,-8]
# Array that stores two predictors in columns
x = np.array([[-4.95,-4.55],[-10.96,-1.08],[-6.52,-0.81],[-7.01,-4.46],[-11.54,-5.87],[-4.52,-11.64],[-3.36,-7.45],[-2.36,-7.33],[-7.65,-10.03]])
# Fit linear least squares and get regression coefficients
beta_hat = np.linalg.lstsq(x,y)[0]
print(beta_hat)
# To store my best guess
estimate = np.zeros((9))
for i in range(0,9):
# y = x1b1 + x2b2
estimate[i] = beta_hat[0]*x[i,0]+beta_hat[1]*x[i,1]
# Correlation between best guess and real values
print(stats.pearsonr(estimate,y))

Least Squares method in practice

Very simple regression task. I have three variables x1, x2, x3 with some random noise. And I know target equation: y = q1*x1 + q2*x2 + q3*x3. Now I want to find target coefs: q1, q2, q3 evaluate the
performance using the mean Relative Squared Error (RSE) (Prediction/Real - 1)^2 to evaluate the performance of our prediction methods.
In the research, I see that this is ordinary Least Squares Problem. But I can't get from examples on the internet how to solve this particular problem in Python. Let say I have data:
import numpy as np
sourceData = np.random.rand(1000, 3)
koefs = np.array([1, 2, 3])
target = np.dot(sourceData, koefs)
(In real life that data are noisy, with not normal distribution.) How to find this koefs using Least Squares approach in python? Any lib usage.
#ayhan made a valuable comment.
And there is a problem with your code: Actually there is no noise in the data you collect. The input data is noisy, but after the multiplication, you don't add any additional noise.
I've added some noise to your measurements and used the least squares formula to fit the parameters, here's my code:
data = np.random.rand(1000,3)
true_theta = np.array([1,2,3])
true_measurements = np.dot(data, true_theta)
noise = np.random.rand(1000) * 1
noisy_measurements = true_measurements + noise
estimated_theta = np.linalg.inv(data.T # data) # data.T # noisy_measurements
The estimated_theta will be close to true_theta. If you don't add noise to the measurements, they will be equal.
I've used the python3 matrix multiplication syntax.
You could use np.dot instead of #
That makes the code longer, so I've split the formula:
MTM_inv = np.linalg.inv(np.dot(data.T, data))
MTy = np.dot(data.T, noisy_measurements)
estimated_theta = np.dot(MTM_inv, MTy)
You can read up on least squares here: https://en.wikipedia.org/wiki/Linear_least_squares_(mathematics)#The_general_problem
UPDATE:
Or you could just use the builtin least squares function:
np.linalg.lstsq(data, noisy_measurements)
In addition to the #lhk answer I have found great scipy Least Squares function. It is easy to get the requested behavior with it.
This way we can provide a custom function that returns residuals and form Relative Squared Error instead of absolute squared difference:
import numpy as np
from scipy.optimize import least_squares
data = np.random.rand(1000,3)
true_theta = np.array([1,2,3])
true_measurements = np.dot(data, true_theta)
noise = np.random.rand(1000) * 1
noisy_measurements = true_measurements + noise
#noisy_measurements[-1] = data[-1] # (1000 * true_theta) - uncoment this outliner to see how much Relative Squared Error esimator works better then default abs diff for this case.
def my_func(params, x, y):
res = (x # params) / y - 1 # If we change this line to: (x # params) - y - we will got the same result as np.linalg.lstsq
return res
res = least_squares(my_func, x0, args=(data, noisy_measurements) )
estimated_theta = res.x
Also, we can provide custom loss with loss argument function that will process the residuals and form final loss.

Numerical integration using SciPy on samples

I have a set of data points (x,y) where y=f(x). Samples are equally spaced with respect to x. I am trying to get SciPy to approximate the integral
I had a go using this:
data = np.genfromtxt('data', delimiter=";")
y = data[:,1]
x = data[:,0]
def f(x, y):
return (x**2)*(np.exp(np.negative(1.6886*y)))
integral = integrate.simps(f, x)
The results I'm getting make no sense and there's probably some huuuge point I'm missing but would really appreciate any help.
integrate.simps is intended for evaluate an integral using samples, but no to evaluate by itself the function. I think you should use:
integral = integrate.simps(y, x)
e.g.
import scipy.integrate as inte
import numpy as np
x = np.linspace(0,2*np.pi, 100)
y = np.sin(x)**2
inte.simps(y,x)
>>> 3.1416352035913215

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