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How to write a function to fit data to a sum of N Gaussian-like peaks without explicitly defining the expression for every possible N?

I am trying to fit a progression of Gaussian peaks to a spectral lineshape.
The progression is a summation of N evenly spaced Gaussian peaks. When coded as a function, the formula for N=1 looks like this:
A * ((e0-i*hf)/e0)**3 * ((S**i)/np.math.factorial(i)) * np.exp(-4*np.log(2)*((x-e0+i*hf)/fwhm)**2)
where A, e0, hf, S and fwhm are to be determined from the fit with some good initial guesses.
Importantly, the parameter i starts at 0 and is incremented by 1 for every additional component.
So, for N = 3 the expression would take the form:
A * ((e0-0*hf)/e0)**3 * ((S**0)/np.math.factorial(0)) * np.exp(-4*np.log(2)*((x-e0+0*hf)/fwhm)**2) +
A * ((e0-1*hf)/e0)**3 * ((S**1)/np.math.factorial(1)) * np.exp(-4*np.log(2)*((x-e0+1*hf)/fwhm)**2) +
A * ((e0-2*hf)/e0)**3 * ((S**2)/np.math.factorial(2)) * np.exp(-4*np.log(2)*((x-e0+2*hf)/fwhm)**2)
All the parameters except i are constant for every component in the summation, and this is intended. i is changing in a controlled way depending on the number of parameters.
I am using curve_fit. One way to code the fitting routine would be to explicitly define the expression for any reasonable N and just use an appropriate one. Like, here it'would be 5 or 6, depending on the spacing, which is determined by hf. I could just define a long function with N components, writing an appropriate i value into each component. I understand how to do that (and did). But I would like to code this more intelligently. My goal is to write a function that will accept any value of N, add the appropriate amount of components as described above, compute the expression while incrementing the i properly and return the result.
I have attempted a variety of things. My main hurdle is that I don't know how to tell the program to use a particular N and the corresponding values of i. Finally, after some searching I thought I found a good way to code it with a lambda function.
from scipy.optimize import curve_fit
import numpy as np
def fullfunc(x,p,n):
def func(x,A,e0,hf,S,fwhm,i):
return A * ((e0-i*hf)/e0)**3 * ((S**i)/np.math.factorial(i)) * np.exp(-4*np.log(2)*((x-e0+i*hf)/fwhm)**2)
y_fit = np.zeros_like(x)
for i in range(n):
y_fit += func(x,p[0],p[1],p[2],p[3],p[4],i)
return y_fit
p = [1,26000,1400,1,1000]
x = [27027,25062,23364,21881,20576,19417,18382,17452,16611,15847,15151]
y = [0.01,0.42,0.93,0.97,0.65,0.33,0.14,0.06,0.02,0.01,0.004]
n = 7
fittedParameters, pcov = curve_fit(lambda x,p: fullfunc(x,p,n), x, y, p)
A,e0,hf,S,fwhm = fittedParameters
This gives:
TypeError: <lambda>() takes 2 positional arguments but 7 were given
and I don't understand why. I have a feeling the lambda function can't deal with a list of initial parameters.
I would greatly appreciate any advice on how to make this work without explicitly writing all the equations out, as I find that a bit too rigid.
The x and y ranges provided are samples of real data which give a general idea of what the shape is.

Since you only use summation over a range i=0, 1, ..., n-1, there is no need to refer to complicated lambda constructs that may or may not work in the context of curve fit. Just define your fit function as the summation of n components:
from matplotlib import pyplot as plt
from scipy.optimize import curve_fit
import numpy as np
def func(x, A, e0, hf, S, fwhm):
return sum((A * ((e0-i*hf)/e0)**3 * ((S**i)/np.math.factorial(i)) * np.exp(-4*np.log(2)*((x-e0+i*hf)/fwhm)**2)) for i in range(n))
p = [1,26000,1400,1,1000]
x = [27027,25062,23364,21881,20576,19417,18382,17452,16611,15847,15151]
y = [0.01,0.42,0.93,0.97,0.65,0.33,0.14,0.06,0.02,0.01,0.004]
n = 7
fittedParameters, pcov = curve_fit(func, x, y, p0=p)
#A,e0,hf,S,fwhm = fittedParameters
print(fittedParameters)
plt.plot(x, y, "ro", label="data")
x_fit = np.linspace(min(x), max(x), 100)
y_fit = func(x_fit, *fittedParameters)
plt.plot(x_fit, y_fit, label="fit")
plt.legend()
plt.show()
Sample output:
P.S.: By the look of it, these data points are already well fitted with n=1.

Approximating derivatives using python

I have attempted to solve the following problem. I tried to solve it first with a set step size h using 0.1. However I need to change this in my code and use a for loop to loop through the values 0,1,..,20. I am a little confused how to do this problem but I was hoping to get some help with fixing the code I produced so far. Thanks!
import numpy as np
from math import sin
def derivative(func , x, h ):
for h in range(20):
return (func(x+h)-func(x))/h
def f(x):
return sin(x)
print(derivative(f, pi/4))
Gives the output
0.6706029729039897
MY EDIT:
def derivative(func , x, h ):
for h in range(20):
return (func(x+h)-func(x))/h

The exercise is asking you to compute the derivative using varying precision (represented using the variable h), and compare that to the exact/real derivative of the function.
Let h = 10 ^ -j, with j varying from 0 to 20. This means h will go (discretely) from 10⁻⁰ to 10⁻²⁰. You can use a for-loop and the range(...) function for that. Then pass that to the derivative function (to which you can a third parameter for the value of h)
def derivative(func, x, h):
return (func(x + h) - func(x)) / h
Next, you need to compare that to the exact derivative. The function f(x) = sin(x) has a known (exact) derivative which is cos(x). In math notation, d(sin x)/dx = cos x. This means that for any x, cos(x) will give you the exact derivative of sin at that x.
So you need to compare the result of the derivative(...) function to the value of cos(x). This will give you the difference. You can then use the basic Python function abs(x) to get the absolute value of that difference, which will give you the absolute difference, which is the desired result. Do that for each j from 0 to 20 and store the results somewhere, in an array or a dict.
from math import sin, cos, pi
x = pi / 4
diffs = {}
for j in range(21): # range is exclusive so range(21) will stop at 20
h = 10 ** -j
deriv = derivative(sin, x, h)
exact = cos(x)
diff = abs(deriv - exact)
diffs[h] = diff
Then, you can use pyplot's loglog function to plot those results on a graph, passing as X the range(...) result and as Y the array containing the results.
import matplotlib.pyplot as plt
ordered = sorted(diffs.items())
x, y = zip(*ordered)
plt.loglog(x, y)

How to put an integral in a function in python/matplotlib

So pretty much, I am aiming to achieve a function f(x)
My problem is that my function has an integral in it, and I only know how to construct definite integrals, so my question is how does one create an indefinite integral in a function (or there may be some other method I am currently unaware of)
My function is defined as :
(G is gravitational constant, although you can leave G out of your answer for simplicity, I'll add it in my code)
Here is the starting point, but I don't know how to do the integral portion
import numpy as np
def f(x):
rho = 5*(1/(1+((x**2)/(3**2))))
function_result = rho * 4 * np.pi * x**2
return function_result
Please let me know if I need to elaborate on something.
EDIT-----------------------------------------------------
I made some major progress, but I still have one little error.
Pretty much, I did this:
from sympy import *
x = Symbol('x')
rho = p0()*(1/(1+((x**2)/(rc()**2))))* 4 * np.pi * x**2
fooply = integrate(rho,x)
def f(rx):
function_result = fooply.subs({x:rx})
return function_result
Which works fine when I plug in one number for f; however, when I plug in an array (as I need to later), I get the error:
raise SympifyError(a)
sympy.core.sympify.SympifyError: SympifyError: [3, 3, 3, 3, 3]
(Here, I did print(f([3,3,3,3,3]))). Usually, the function returns an array of values. So if I did f([3,2]) it should return [f(3),f(2)]. Yet, for some reason, it doesn't for my function....
Thanks in advance

how about:
from sympy import *
x, p0, rc = symbols('x p0 rc', real=True, positive=True)
rho = p0*(1/(1+((x**2)/(rc))))* 4 * pi * x**2
fooply = integrate(rho,x)/x
rho, fooply
(4*pi*p0*x**2/(1 + x**2/rc),
4*pi*p0*rc*(-sqrt(rc)*atan(x/sqrt(rc)) + x)/x)
fooply = fooply.subs({p0: 2.0, rc: 3.0})
np_fooply = lambdify(x, fooply, 'numpy')
print(np_fooply(np.array([3,3,3,3,3])))
[ 29.81247362 29.81247362 29.81247362 29.81247362 29.81247362]

To plug in an array to a SymPy expression, you need to use lambdify to convert it to a NumPy function (f = lambdify(x, fooply)). Just using def and subs as you have done will not work.
Also, in general, when using symbolic computations, it's better to use sympy.pi instead of np.pi, as the former is symbolic and can simplify. It will automatically be converted to the numeric pi by lambdify.

How to Integrate Arc Lengths using python, numpy, and scipy?

On another thread, I saw someone manage to integrate the length of a arc using mathematica.They wrote:
In[1]:= ArcTan[3.05*Tan[5Pi/18]/2.23]
Out[1]= 1.02051
In[2]:= x=3.05 Cos[t];
In[3]:= y=2.23 Sin[t];
In[4]:= NIntegrate[Sqrt[D[x,t]^2+D[y,t]^2],{t,0,1.02051}]
Out[4]= 2.53143
How exactly could this be transferred to python using the imports of numpy and scipy? In particular, I am stuck on line 4 in his code with the "NIntegrate" function. Thanks for the help!
Also, if I already have the arc length and the vertical axis length, how would I be able to reverse the program to spit out the original paremeters from the known values? Thanks!

To my knowledge scipy cannot perform symbolic computations (such as symbolic differentiation). You may want to have a look at http://www.sympy.org for a symbolic computation package. Therefore, in the example below, I compute derivatives analytically (the Dx(t) and Dy(t) functions).
>>> from scipy.integrate import quad
>>> import numpy as np
>>> Dx = lambda t: -3.05 * np.sin(t)
>>> Dy = lambda t: 2.23 * np.cos(t)
>>> quad(lambda t: np.sqrt(Dx(t)**2 + Dy(t)**2), 0, 1.02051)
(2.531432761012828, 2.810454936566873e-14)
EDIT: Second part of the question - inverting the problem
From the fact that you know the value of the integral (arc) you can now solve for one of the parameters that determine the arc (semi-axes, angle, etc.) Let's assume you want to solve for the angle. Then you can use one of the non-linear solvers in scipy, to revert the equation quad(theta) - arcval == 0. You can do it like this:
>>> from scipy.integrate import quad
>>> from scipy.optimize import broyden1
>>> import numpy as np
>>> a = 3.05
>>> b = 2.23
>>> Dx = lambda t: -a * np.sin(t)
>>> Dy = lambda t: b * np.cos(t)
>>> arc = lambda theta: quad(lambda t: np.sqrt(Dx(t)**2 + Dy(t)**2), 0, np.arctan((a / b) * np.tan(np.deg2rad(theta))))[0]
>>> invert = lambda arcval: float(broyden1(lambda x: arc(x) - arcval, np.rad2deg(arcval / np.sqrt((a**2 + b**2) / 2.0))))
Then:
>>> arc(50)
2.531419526553662
>>> invert(arc(50))
50.000031008458365

If you prefer a pure numerical approach, you could use the following barebones solution. This worked well for me given that I had two input numpy.ndarrays, x and y with no functional form available.
import numpy as np
def arclength(x, y, a, b):
"""
Computes the arclength of the given curve
defined by (x0, y0), (x1, y1) ... (xn, yn)
over the provided bounds, `a` and `b`.
Parameters
----------
x: numpy.ndarray
The array of x values
y: numpy.ndarray
The array of y values corresponding to each value of x
a: int
The lower limit to integrate from
b: int
The upper limit to integrate to
Returns
-------
numpy.float64
The arclength of the curve
"""
bounds = (x >= a) & (y <= b)
return np.trapz(
np.sqrt(
1 + np.gradient(y[bounds], x[bounds])
) ** 2),
x[bounds]
)
Note: I spaced the return variables out that way just to make it more readable and clear to understand the operations taking place.
As an aside, recall that the arc-length of a curve is given by:

Solving a system of odes (with changing constant!) using scipy.integrate.odeint?

I currently have a system of odes with a time-dependent constant. E.g.
def fun(u, t, a, b, c):
x = u[0]
y = u[1]
z = u[2]
dx_dt = a * x + y * z
dy_dt = b * (y-z)
dz_dt = -x*y+c*y-z
return [dx_dt, dy_dt, dz_dt]
The constants are "a", "b" and "c". I currently have a list of "a"s for every time-step which I would like to insert at every time-step, when using the scipy ode solver...is this possible?
Thanks!

Yes, this is possible. In the case where a is constant, I guess you called scipy.integrate.odeint(fun, u0, t, args) where fun is defined as in your question, u0 = [x0, y0, z0] is the initial condition, t is a sequence of time points for which to solve for the ODE and args = (a, b, c) are the extra arguments to pass to fun.
In the case where a depends on time, you simply have to reconsider a as a function, for example (given a constant a0):
def a(t):
return a0 * t
Then you will have to modify fun which computes the derivative at each time step to take the previous change into account:
def fun(u, t, a, b, c):
x = u[0]
y = u[1]
z = u[2]
dx_dt = a(t) * x + y * z # A change on this line: a -> a(t)
dy_dt = b * (y - z)
dz_dt = - x * y + c * y - z
return [dx_dt, dy_dt, dz_dt]
Eventually, note that u0, t and args remain unchanged and you can again call scipy.integrate.odeint(fun, u0, t, args).
A word about the correctness of this approach. The performance of the approximation of the numerical integration is affected, I don't know precisely how (no theoretical guarantees) but here is a simple example which works:
import matplotlib.pyplot as plt
import numpy as np
import scipy as sp
import scipy.integrate
tmax = 10.0
def a(t):
if t < tmax / 2.0:
return ((tmax / 2.0) - t) / (tmax / 2.0)
else:
return 1.0
def func(x, t, a):
return - (x - a(t))
x0 = 0.8
t = np.linspace(0.0, tmax, 1000)
args = (a,)
y = sp.integrate.odeint(func, x0, t, args)
fig = plt.figure()
ax = fig.add_subplot(111)
h1, = ax.plot(t, y)
h2, = ax.plot(t, [a(s) for s in t])
ax.legend([h1, h2], ["y", "a"])
ax.set_xlabel("t")
ax.grid()
plt.show()
I Hope this will help you.

No, that is not possible in the literal sense of
"I currently have a list of "a"s for every time-step which I would like to insert at every time-step"
as the solver has adaptive step size control, that is, it will use internal time steps that you have no control over, and each time step uses several evaluations of the function. Thus there is no connection between the solver time steps and the data time steps.
In the extended sense that the given data defines a piecewise constant step function however, there are several approaches to get to a solution.
You can integrate from jump point to jump point, using the ODE function with the constant parameter for this time segment. After that use numpy array operations like concatenate to assemble the full solution.
You can use interpolation functions like numpy.interp or scipy.interpolate.interp1d. The first gives a piecewise linear interpolation, which may not be desired here. The second returns a function object that can be configured to be a "zero-order hold", which is a piecewise constant step function.
You could implement your own logic to go from the time t to the correct values of those parameters. This mostly applies if there is some structure to the data, for instance, if they have the form f(int(t/h)).
Note that the approximation order of the numerical integration is not only bounded by the order of the RK (solve_ivp) or multi-step (odeint) method, but also by the differentiability order of the (parts of) the differential equation. If the ODE is much less smooth than the order of the method, the implicit assumptions for the step size control mechanism are violated, which may result in a very small step size requiring a huge number of integration steps.

I also encountered similar problem. In my case, parameters a, b, and c are not in direct function with time, but determined by x, y, and z at that time. So I have to get x, y, z at time t, and calculate a, b, c for the integration calculation for x, y, z at t+dt. It turns out that if I change dt value, the whole integration result will change dramatically, even to something unreasonable.