Python Curve_Fit Exponential / Power / Log Curve - Improve Results - python

I am trying to fit this data which is asymptotically approaching zero (but never reaching it).
I believe the best curve is an Inverse Logistic Function, but open to suggestions. The Key is the decaying "S-curve" shape which is expected.
Here is the code I have so far, and the plot image below, which is a pretty ugly fit.
import pandas as pd
import numpy as np
import matplotlib.pyplot as plt
from scipy.optimize import curve_fit
# DATA
x = pd.Series([1,1,264,882,913,1095,1156,1217,1234,1261,1278,1460,1490,1490,1521,1578,1612,1612,1668,1702,1704,1735,1793,2024,2039,2313,2313,2558,2558,2617,2617,2708,2739,2770,2770,2831,2861,2892,2892,2892,2892,2892,2923,2923,2951,2951,2982,2982,3012,3012,3012,3012,3012,3012,3012,3073,3073,3073,3104,3104,3104,3104,3135,3135,3135,3135,3165,3165,3165,3165,3165,3196,3196,3196,3226,3226,3257,3316,3347,3347,3347,3347,3377,3377,3438,3469,3469]).values
y = pd.Series([1000,600,558.659217877095,400,300,100,7.75,6,8.54,6.66666666666667,7.14,1.1001100110011,1.12,0.89,1,2,0.666666666666667,0.77,1.12612612612613,0.7,0.664010624169987,0.65,0.51,0.445037828215398,0.27,0.1,0.26,0.1,0.1,0.13,0.16,0.1,0.13,0.1,0.12,0.1,0.13,0.14,0.14,0.17,0.11,0.15,0.09,0.1,0.26,0.16,0.09,0.09,0.05,0.09,0.09,0.1,0.1,0.11,0.11,0.09,0.09,0.11,0.08,0.09,0.09,0.1,0.06,0.07,0.07,0.09,0.05,0.05,0.06,0.07,0.08,0.08,0.07,0.1,0.08,0.08,0.05,0.06,0.04,0.04,0.05,0.05,0.04,0.06,0.05,0.05,0.06]).values
# Inverse Logistic Function
# https://en.wikipedia.org/wiki/Logistic_function
def func(x, L ,x0, k, b):
y = 1/(L / (1 + np.exp(-k*(x-x0)))+b)
return y
# FIT DATA
p0 = [max(y), np.median(x),1,min(y)] # this is an mandatory initial guess
popt, pcov = curve_fit(func, x, y,p0, method='dogbox',maxfev=10000)
# PERFORMANCE
modelPredictions = func(x, *popt)
absError = modelPredictions - y
SE = np.square(absError) # squared errors
MSE = np.mean(SE) # mean squared errors
RMSE = np.sqrt(MSE) # Root Mean Squared Error, RMSE
Rsquared = 1.0 - (np.var(absError) / np.var(y))
print('Parameters:', popt)
print('RMSE:', RMSE)
print('R-squared:', Rsquared)
#PLOT
plt.figure()
plt.plot(x, y, 'ko', label="Original Noised Data")
plt.plot(x, func(x, *popt), 'r-', label="Fitted Curve")
plt.legend()
plt.yscale('log')
#plt.xscale('log')
plt.show()
Here is the result when this code is run... and what I would Like to achieve!
How can I better optimize the curve_fit, so that instead of the code generated RED line, I get something closer to the BLUE drawn line?
Thank you!!

From your plot of data and expected fit, I would guess that you do not really want to model your data y as a logistic-like step function but log(y) as a logistic-like step function.
So, I think you would probably want to use a logistic step function, perhaps adding a linear component to model the log of this data. I would do this with lmfit, as it comes with the models built-in, gives better reporting of resulting, and allows you to greatly simplify your fitting code as with (disclaimer: I am a lead author):
import pandas as pd
import numpy as np
import matplotlib.pyplot as plt
from scipy.optimize import curve_fit
from lmfit.models import StepModel, LinearModel
# DATA
x = pd.Series([1, 1, 264, 882, 913, 1095, 1156, 1217, 1234, 1261, 1278,
1460, 1490, 1490, 1521, 1578, 1612, 1612, 1668, 1702, 1704,
1735, 1793, 2024, 2039, 2313, 2313, 2558, 2558, 2617, 2617,
2708, 2739, 2770, 2770, 2831, 2861, 2892, 2892, 2892, 2892,
2892, 2923, 2923, 2951, 2951, 2982, 2982, 3012, 3012, 3012,
3012, 3012, 3012, 3012, 3073, 3073, 3073, 3104, 3104, 3104,
3104, 3135, 3135, 3135, 3135, 3165, 3165, 3165, 3165, 3165,
3196, 3196, 3196, 3226, 3226, 3257, 3316, 3347, 3347, 3347,
3347, 3377, 3377, 3438, 3469, 3469]).values
y = pd.Series([1000, 600, 558.659217877095, 400, 300, 100, 7.75, 6, 8.54,
6.66666666666667, 7.14, 1.1001100110011, 1.12, 0.89, 1, 2,
0.666666666666667, 0.77, 1.12612612612613, 0.7,
0.664010624169987, 0.65, 0.51, 0.445037828215398, 0.27, 0.1,
0.26, 0.1, 0.1, 0.13, 0.16, 0.1, 0.13, 0.1, 0.12, 0.1, 0.13,
0.14, 0.14, 0.17, 0.11, 0.15, 0.09, 0.1, 0.26, 0.16, 0.09,
0.09, 0.05, 0.09, 0.09, 0.1, 0.1, 0.11, 0.11, 0.09, 0.09,
0.11, 0.08, 0.09, 0.09, 0.1, 0.06, 0.07, 0.07, 0.09, 0.05,
0.05, 0.06, 0.07, 0.08, 0.08, 0.07, 0.1, 0.08, 0.08, 0.05,
0.06, 0.04, 0.04, 0.05, 0.05, 0.04, 0.06, 0.05, 0.05, 0.06]).values
model = StepModel(form='logistic') + LinearModel()
params = model.make_params(amplitude=-5, center=1000, sigma=100, intercept=0, slope=0)
result = model.fit(np.log(y), params, x=x)
print(result.fit_report())
plt.plot(x, y, 'ko', label="Original Noised Data")
plt.plot(x, np.exp(result.best_fit), 'r-', label="Fitted Curve")
plt.legend()
plt.yscale('log')
plt.show()
That will print out a report with fit statistics and best-fit values of:
[[Model]]
(Model(step, form='logistic') + Model(linear))
[[Fit Statistics]]
# fitting method = leastsq
# function evals = 73
# data points = 87
# variables = 5
chi-square = 9.38961801
reduced chi-square = 0.11450754
Akaike info crit = -183.688405
Bayesian info crit = -171.358865
[[Variables]]
amplitude: -4.89008796 +/- 0.29600969 (6.05%) (init = -5)
center: 1180.65823 +/- 15.2836422 (1.29%) (init = 1000)
sigma: 94.0317580 +/- 18.5328976 (19.71%) (init = 100)
slope: -0.00147861 +/- 8.1151e-05 (5.49%) (init = 0)
intercept: 6.95177838 +/- 0.17170849 (2.47%) (init = 0)
[[Correlations]] (unreported correlations are < 0.100)
C(amplitude, slope) = -0.798
C(amplitude, sigma) = -0.649
C(amplitude, intercept) = -0.605
C(center, intercept) = -0.574
C(sigma, slope) = 0.542
C(sigma, intercept) = 0.348
C(center, sigma) = -0.335
C(amplitude, center) = 0.282
and produce a plot like this
You could certainly reproduce all that with scipy.optimize.curve_fit if you desired, but I would leave that as an exercise.

In your case I'd fit a hyperbolic tangent1 to the base-10 logarithm of your data.
Let's use
                                       log10 (y) = y₀ - a tanh (λ(x-x₀))
as your function
Approximately your x runs from 0 to 3500, your log10(y) from 3 to -1, with the provision that tanh(2) = -tanh(2) ≈ 1 we have
            y₀+a = 3, y0-a= -1 ⇒ y₀ = 1, a = 2;
            λ = (2-(-2)) / (3500-0); x₀ = (3500-0)/2.
(this rough estimate is necessary to provede curve_fit with an initial guess, otherwise the procedure gets lost).
Omitting the boilerplate I have eventually
X = np.linspace(0, 3500, 701)
plt.scatter(x, np.log10(y), label='data')
plt.plot(X, 1-2*np.tanh(4/3500*(X-1750)), label='hand fit')
(y0, a, l, x0), *_ = curve_fit(
lambda x, y0, a, l,x 0: y0 - a*np.tanh(l*(x-x0)),
x, np.log10(y),
p0=[1, 2, 4/3500, 3500/2])
plt.plot(X, y0-a*np.tanh(l*(X-x0)), label='curve_fit fit')
plt.legend()
Note 1: the logistic function is the hyperbolic tangent in disguise

I see that your plot uses log scaling, and I found that several different sigmoidal equations gave what appear to be good fits to the natural log of the Y data. Here is a graphical Python fitter using the natural log of the Y data with a four-parameter Logistic equation:
import numpy, scipy, matplotlib
import matplotlib.pyplot as plt
from scipy.optimize import curve_fit
import warnings
xData = numpy.array([1,1,264,882,913,1095,1156,1217,1234,1261,1278,1460,1490,1490,1521,1578,1612,1612,1668,1702,1704,1735,1793,2024,2039,2313,2313,2558,2558,2617,2617,2708,2739,2770,2770,2831,2861,2892,2892,2892,2892,2892,2923,2923,2951,2951,2982,2982,3012,3012,3012,3012,3012,3012,3012,3073,3073,3073,3104,3104,3104,3104,3135,3135,3135,3135,3165,3165,3165,3165,3165,3196,3196,3196,3226,3226,3257,3316,3347,3347,3347,3347,3377,3377,3438,3469,3469], dtype=float)
yData = numpy.array([1000,600,558.659217877095,400,300,100,7.75,6,8.54,6.66666666666667,7.14,1.1001100110011,1.12,0.89,1,2,0.666666666666667,0.77,1.12612612612613,0.7,0.664010624169987,0.65,0.51,0.445037828215398,0.27,0.1,0.26,0.1,0.1,0.13,0.16,0.1,0.13,0.1,0.12,0.1,0.13,0.14,0.14,0.17,0.11,0.15,0.09,0.1,0.26,0.16,0.09,0.09,0.05,0.09,0.09,0.1,0.1,0.11,0.11,0.09,0.09,0.11,0.08,0.09,0.09,0.1,0.06,0.07,0.07,0.09,0.05,0.05,0.06,0.07,0.08,0.08,0.07,0.1,0.08,0.08,0.05,0.06,0.04,0.04,0.05,0.05,0.04,0.06,0.05,0.05,0.06], dtype=float)
# fit the natural lpg of the data
yData = numpy.log(yData)
warnings.filterwarnings("ignore") # do not print "invalid value" warnings during fit
def func(x, a, b, c, d): # Four-Parameter Logistic from zunzun.com
return d + (a - d) / (1.0 + numpy.power(x / c, b))
# these are the same as the scipy defaults
initialParameters = numpy.array([1.0, 1.0, 1.0, 1.0])
# curve fit the test data
fittedParameters, pcov = curve_fit(func, xData, yData, initialParameters)
modelPredictions = func(xData, *fittedParameters)
print('Parameters:', fittedParameters)
print()
##########################################################
# graphics output section
def ModelAndScatterPlot(graphWidth, graphHeight):
f = plt.figure(figsize=(graphWidth/100.0, graphHeight/100.0), dpi=100)
axes = f.add_subplot(111)
# first the raw data as a scatter plot
axes.plot(xData, yData, 'D')
# create data for the fitted equation plot
xModel = numpy.linspace(min(xData), max(xData))
yModel = func(xModel, *fittedParameters)
# now the model as a line plot
axes.plot(xModel, yModel)
axes.set_xlabel('X Data') # X axis data label
axes.set_ylabel('Natural Log of Y Data') # Y axis data label
plt.show()
plt.close('all') # clean up after using pyplot
graphWidth = 800
graphHeight = 600
ModelAndScatterPlot(graphWidth, graphHeight)

p0 = [max(y), np.median(x),1,min(y)] # this is an mandatory initial guess
Just to clarify, since this might be your issue, you shouldn't use "1.0" as your initial guess k. You should use 1.0 / (max(x) - min(x))
If your X's are data that ranges over say, [1200, 8000]. Then, using 1.0 will really struggle converge. You want to use 1/6800 as k, so you start off with a normalized [-1, 1] as your initial x-range.
Main reason being, p.exp(4000) will generally fail to evaluate, which will cause python to struggle to fit the function.

Related

Predicting Sine waves in python

I'm trying to write an algorithm in Python that predicts the output of a sine wave. For example, if the input is 90 (in degrees), the output is 1.
When I try Linear Regression, the output is pretty bad.
[in]
import pandas as pd
from sklearn.linear_model import LinearRegression
dic = [0, 30, 60, 90, 120, 150, 180, 210, 240, 270, 300, 330, 360]
dc = [0, 0.5, 0.866, 1, .866, 0.5, 0, -0.5, -0.866, -1, -0.866, -0.5, 0]
test = [1, 10, 100]
df = pd.DataFrame(dic)
dfy = pd.DataFrame(dc)
test = pd.DataFrame(test)
clf = LinearRegression()
clf.fit(df, dfy)
[out]
[[0.7340967 ]
[0.69718681]
[0.32808791]]
And Logistic doesn't fit at all because it is for classification. What approaches would be better suited to this problem?
Here is a graphical non-linear fitter using your data and a sine function. The numpy sine function uses radians, so the sine function used here rescales the input. I guessed the initial parameter estimates by looking at a scatterplot of the data, and from the RMSE of nearly 0.0 and the R-squared of almost 1.0 the data would seem to have no noise component.
import numpy, scipy, matplotlib
import matplotlib.pyplot as plt
from scipy.optimize import curve_fit
dic = [0.0, 30.0, 60.0, 90.0, 120.0, 150.0, 180.0, 210.0, 240.0, 270.0, 300.0, 330.0, 360.0]
dc = [0.0, 0.5, 0.866, 1.0, 0.866, 0.5, 0.0, -0.5, -0.866, -1.0, -0.866, -0.5, 0.0]
# rename data to match previous example code
xData = dic
yData = dc
def func(x, amplitude, center, width):
return amplitude * numpy.sin(numpy.pi * (x - center) / width)
# these are estimated from a scatterplot of the data
initialParameters = numpy.array([-1.0, 180.0, 180.0])
# curve fit the test data
fittedParameters, pcov = curve_fit(func, xData, yData, initialParameters)
modelPredictions = func(xData, *fittedParameters)
absError = modelPredictions - yData
SE = numpy.square(absError) # squared errors
MSE = numpy.mean(SE) # mean squared errors
RMSE = numpy.sqrt(MSE) # Root Mean Squared Error, RMSE
Rsquared = 1.0 - (numpy.var(absError) / numpy.var(yData))
print('Parameters:', fittedParameters)
print('RMSE:', RMSE)
print('R-squared:', Rsquared)
print()
##########################################################
# graphics output section
def ModelAndScatterPlot(graphWidth, graphHeight):
f = plt.figure(figsize=(graphWidth/100.0, graphHeight/100.0), dpi=100)
axes = f.add_subplot(111)
# first the raw data as a scatter plot
axes.plot(xData, yData, 'D')
# create data for the fitted equation plot
xModel = numpy.linspace(min(xData), max(xData))
yModel = func(xModel, *fittedParameters)
# now the model as a line plot
axes.plot(xModel, yModel)
axes.set_xlabel('X Data') # X axis data label
axes.set_ylabel('Y Data') # Y axis data label
plt.show()
plt.close('all') # clean up after using pyplot
graphWidth = 800
graphHeight = 600
ModelAndScatterPlot(graphWidth, graphHeight)

Least squares function with 5 unknown parameters

I am having a trouble with estimation of 5 unknown parameters a, b, c, d, e that are definitely lay in the intervals. It's simply looks this way:
import numpy as np
from scipy.optimize import curve_fit
diap_a = np.arange(0.01, 1, 0.2)
diap_b = np.arange(0.01, 30, 5)
diap_c = np.arange(0.01, 2, 0.5)
diap_d = np.arange(0.01, 2, 0.5)
diap_e = np.arange(0.01, 0.3, 0.03)
X = np.arange(0.01, 1, 0.01)
def func(a, b, c, d, e):
return a + b + c + d + e #for example
Y = func(a, b, c, d, e)
I have data (expected values) such that
Y1 = [60, 59, 58, 57, 56, 55, 50, 30, 10]
X1 = [0.048, 0.049, 0.05, 0.05, 0.06, 0.089, 0.1, 0.12, 0.134]
I was trying to implement it this way:
popt, pcov = curve_fit(func, a, b, c, d, e, Y1, X1)
to find optimal a, b, c, d, e that will help to fit the curve
plt.plot(Y, X)
plt.show()
But it doesn't work.
The result is:
OptimizeWarning: Covariance of the parameters could not be estimated
Sorry for my bad formulation of the problem.
Your curve_fit() should take func, X1, and Y1 as the first three parameters according to the curve_fit() documentation. As currently coded, func() will always return a single value that has nothing to do with X1 and cannot fit the data. Here is an example graphing fitter using your data that has three parameters and uses scipy's default initial parameter estimates of all 1.0 - these are not always optimal. If you get a bad fit of the data to any given function it might be the initial parameter estimates, and so scipy has a genetic algorithm module to help find those estimates if needed.
import numpy, scipy, matplotlib
import matplotlib.pyplot as plt
from scipy.optimize import curve_fit
xData = numpy.array([0.048, 0.049, 0.05, 0.05, 0.06, 0.089, 0.1, 0.12, 0.134])
yData = numpy.array([60, 59, 58, 57, 56, 55, 50, 30, 10])
def func(x, a, b, c): # simple quadratic example
return (a * numpy.square(x)) + b * x + c
# these are the same as the scipy defaults
initialParameters = numpy.array([1.0, 1.0, 1.0])
# curve fit the test data
fittedParameters, pcov = curve_fit(func, xData, yData, initialParameters)
modelPredictions = func(xData, *fittedParameters)
absError = modelPredictions - yData
SE = numpy.square(absError) # squared errors
MSE = numpy.mean(SE) # mean squared errors
RMSE = numpy.sqrt(MSE) # Root Mean Squared Error, RMSE
Rsquared = 1.0 - (numpy.var(absError) / numpy.var(yData))
print('Parameters:', fittedParameters)
print('RMSE:', RMSE)
print('R-squared:', Rsquared)
print()
##########################################################
# graphics output section
def ModelAndScatterPlot(graphWidth, graphHeight):
f = plt.figure(figsize=(graphWidth/100.0, graphHeight/100.0), dpi=100)
axes = f.add_subplot(111)
# first the raw data as a scatter plot
axes.plot(xData, yData, 'D')
# create data for the fitted equation plot
xModel = numpy.linspace(min(xData), max(xData))
yModel = func(xModel, *fittedParameters)
# now the model as a line plot
axes.plot(xModel, yModel)
axes.set_xlabel('X Data') # X axis data label
axes.set_ylabel('Y Data') # Y axis data label
plt.show()
plt.close('all') # clean up after using pyplot
graphWidth = 800
graphHeight = 600
ModelAndScatterPlot(graphWidth, graphHeight)

Scipy Curve Fit Optimize not working for log scale values

So I am trying to fit a set of data points to this equation:
abs(I) = Io(exp((qV)/(nKT)) - 1) --- Shockley diode equation
to a bunch of data points I was given. Knowing the V and the I values, I need to optimize the Io and the n values to get me data closely matching the data set I was given.
However, scipy optimize curve fit is not giving me the values I want, which is where n = ~1.15 and Io = ~1.8E-13, and is instead giving me n = 2.12 and I = 2.11E-11. I suspect this is due to the data set values being very small numbers, messing with the optimization, but even when i set the initial guess to be n = 1.15 and Io = 1.8E-13, the optimization values do not change.
Does anyone have any tips on how to fix this?
import numpy as np
import math
import matplotlib.pyplot as plt
from scipy.optimize import curve_fit
Voltage = np.array([-0.5 , -0.49, -0.48, -0.47, -0.46, -0.45, -0.44, -0.43, -0.42,
-0.41, -0.4 , -0.39, -0.38, -0.37, -0.36, -0.35, -0.34, -0.33,
-0.32, -0.31, -0.3 , -0.29, -0.28, -0.27, -0.26, -0.25, -0.24,
-0.23, -0.22, -0.21, -0.2 , -0.19, -0.18, -0.17, -0.16, -0.15,
-0.14, -0.13, -0.12, -0.11, -0.1 , -0.09, -0.08, -0.07, -0.06,
-0.05, -0.04, -0.03, -0.02, -0.01, 0. , 0.01, 0.02, 0.03,
0.04, 0.05, 0.06, 0.07, 0.08, 0.09, 0.1 , 0.11, 0.12,
0.13, 0.14, 0.15, 0.16, 0.17, 0.18, 0.19, 0.2 , 0.21,
0.22, 0.23, 0.24, 0.25, 0.26, 0.27, 0.28, 0.29, 0.3 ,
0.31, 0.32, 0.33, 0.34, 0.35, 0.36, 0.37, 0.38, 0.39, 0.4 ])
Current = np.array([ 6.99000000e-13, 6.83000000e-13, 6.57000000e-13,
6.46000000e-13, 6.19000000e-13, 6.07000000e-13,
5.86000000e-13, 5.73000000e-13, 5.55000000e-13,
5.37000000e-13, 5.27000000e-13, 5.08000000e-13,
4.92000000e-13, 4.75000000e-13, 4.61000000e-13,
4.43000000e-13, 4.32000000e-13, 4.18000000e-13,
3.99000000e-13, 3.91000000e-13, 3.79000000e-13,
3.66000000e-13, 3.54000000e-13, 3.43000000e-13,
3.34000000e-13, 3.18000000e-13, 3.06000000e-13,
2.96000000e-13, 2.86000000e-13, 2.77000000e-13,
2.66000000e-13, 2.59000000e-13, 2.54000000e-13,
2.43000000e-13, 2.33000000e-13, 2.22000000e-13,
2.16000000e-13, 2.07000000e-13, 2.00000000e-13,
1.94000000e-13, 1.85000000e-13, 1.77000000e-13,
1.68000000e-13, 1.58000000e-13, 1.48000000e-13,
1.35000000e-13, 1.21000000e-13, 1.03000000e-13,
7.53000000e-14, 4.32000000e-14, 2.33000000e-15,
6.46000000e-14, 1.57000000e-13, 2.82000000e-13,
4.58000000e-13, 7.07000000e-13, 1.06000000e-12,
1.57000000e-12, 2.28000000e-12, 3.29000000e-12,
4.75000000e-12, 6.80000000e-12, 9.76000000e-12,
1.39000000e-11, 1.82000000e-11, 2.57000000e-11,
3.67000000e-11, 5.21000000e-11, 7.39000000e-11,
1.04000000e-10, 1.62000000e-10, 2.27000000e-10,
3.21000000e-10, 4.48000000e-10, 6.21000000e-10,
8.70000000e-10, 1.20000000e-09, 1.66000000e-09,
2.27000000e-09, 3.08000000e-09, 4.13000000e-09,
5.46000000e-09, 7.05000000e-09, 8.85000000e-09,
1.11000000e-08, 1.39000000e-08, 1.74000000e-08,
2.05000000e-08, 2.28000000e-08, 2.52000000e-08,
2.91000000e-08])
def diode_function(V, n, Io):
kt = 300 * 1.38 * math.pow(10, -23)
q = 1.60 * math.pow(10, -19)
I_final = Io * (np.exp( (q * V) / (n * kt) ) - 1)
return abs(I_final)
p0 = [1.15, 1.8e-13]
popt, pcov = curve_fit(diode_function, Voltage, Current, p0 = p0)
print(popt)
fig = plt.figure()
ax = fig.add_subplot(121)
ax.set_title('I_d vs V_d')
ax.set_xlabel('V_d')
ax.set_ylabel('I_d')
ax.set_yscale('log')
plt.plot(Voltage, Current, 'ko', label="Original Data")
plt.plot(Voltage, diode_function(Voltage, *popt), 'r-', label="Fitted Curve")
plt.legend(loc='best')
ax = fig.add_subplot(122)
ax.set_title('I_d vs V_d')
ax.set_xlabel('V_d')
ax.set_ylabel('I_d')
ax.set_yscale('log')
popt = [1.15,1.8e-13]
plt.plot(Voltage, Current, 'ko', label="Original Data")
plt.plot(Voltage, diode_function(Voltage, *popt), 'r-', label="Fitted Curve")
plt.legend(loc='best')
plt.show()
Picture of the graph:
The left graph is with scipy optimization and the right graph is the one I want
I guess you are on the right track, using the logarithm to scale the data such that the differences are much lower. In order to prevent problems with logarithms, one usual option is to add a constant. Instead of log(x), one would use log(x+constant). This constant needs to be 1 or higher.
Using different constants still gives different results though, again because larger values are weighted higher in the least-squares method.
# imports and data as in question
def diode_function(V, n, Io):
kt = 300 * 1.38e-23
q = 1.60e-19
I_final = Io * (np.exp( (q * V) / (n * kt) ) - 1)
return np.abs(I_final)
p0 = [1.15, 1.8e-13]
popt, pcov = curve_fit(diode_function, Voltage, Current, p0 = p0)
fig, ax = plt.subplots()
ax.set_title('I_d vs V_d')
ax.set_xlabel('V_d')
ax.set_ylabel('I_d')
ax.set_yscale('log')
ax.plot(Voltage, Current, 'ko', label="Original Data")
offsets = [1,15]
colors = ["limegreen", "crimson"]
for offset, color in zip(offsets,colors):
logdf = lambda V,n,Io: np.log10(diode_function(V, n, Io)+offset)
poptn, pcovn = curve_fit(logdf, Voltage, np.log10(Current+offset), p0 = p0)
ax.plot(Voltage, 10**(logdf(Voltage, *poptn))-offset,
color=color, label="fit (offset: {})".format(offset))
ax.legend(loc='best')
plt.show()

Plotting one sigma error bars on a curve fit line in scipy

I plotted a linear least square fit curve using scipy.optimize.curve_fit(). My data has some error associated to it and I added those while plotting the fit curve.
Next, I want to plot two dashed lines representing one sigma error bar on the curve fit and shade region between those two lines. This is what I have tried so far:
import sys
import os
import numpy
import matplotlib.pyplot as plt
from pylab import *
import scipy.optimize as optimization
from scipy.optimize import curve_fit
xdata = numpy.array([-5.6, -5.6, -6.1, -5.0, -3.2, -6.4, -5.2, -4.5, -2.22, -3.30, -6.15])
ydata = numpy.array([-18.40, -17.63, -17.67, -16.80, -14.19, -18.21, -17.10, -17.90, -15.30, -18.90, -18.62])
# Initial guess.
x0 = numpy.array([1.0, 1.0])
#data error
sigma = numpy.array([0.16, 0.16, 0.16, 0.16, 0.16, 0.16, 0.16, 0.16, 0.22, 0.45, 0.35])
sigma1 = numpy.array([0.000001, 0.000001, 0.000001, 0.0000001, 0.0000001, 0.13, 0.22, 0.30, 0.00000001, 1.0, 0.05])
#def func(x, a, b, c):
# return a + b*x + c*x*x
def line(x, a, b):
return a * x + b
#print optimization.curve_fit(line, xdata, ydata, x0, sigma)
popt, pcov = curve_fit(line, xdata, ydata, sigma =sigma)
print popt
print "a =", popt[0], "+/-", pcov[0,0]**0.5
print "b =", popt[1], "+/-", pcov[1,1]**0.5
#1 sigma error ######################################################################################
sigma2 = numpy.array([1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0]) #make change
popt1, pcov1 = curve_fit(line, xdata, ydata, sigma = sigma2) #make change
print popt1
print "a1 =", popt1[0], "+/-", pcov1[0,0]**0.5
print "b1 =", popt1[1], "+/-", pcov1[1,1]**0.5
#####################################################################################################
plt.errorbar(xdata, ydata, yerr=sigma, xerr= sigma1, fmt="none")
plt.ylim(-11.5, -19.5)
plt.xlim(-2, -7)
xfine = np.linspace(-2.0, -7.0, 100) # define values to plot the function for
plt.plot(xfine, line(xfine, popt[0], popt[1]), 'r-')
plt.plot(xfine, line(xfine, popt1[0], popt1[1]), '--') #make change
plt.show()
However, I think the dashed line I plotted takes one sigma error from my provided xdata and ydata numpy array, not from the curve fit. Do I have to know the coordinates that satisfy my fit curve and then make a second array to make the one sigma error fit curve?
It seems you are plotting two completely different lines.
Instead, you need to plot three lines: the first one is your fit without any corrections, the other two lines should be built with the same parameters a and b, but with added or subtracted sigmas. You obtain the respective sigmas from the covariance matrix you obtain in pcov. So you'll have something like:
y = line(xfine, popt[0], popt[1])
y1 = line(xfine, popt[0] + pcov[0,0]**0.5, popt[1] - pcov[1,1]**0.5)
y2 = line(xfine, popt[0] - pcov[0,0]**0.5, popt[1] + pcov[1,1]**0.5)
plt.plot(xfine, y, 'r-')
plt.plot(xfine, y1, 'g--')
plt.plot(xfine, y2, 'g--')
plt.fill_between(xfine, y1, y2, facecolor="gray", alpha=0.15)
fill_between shades the area between the error bar lines.
This is the result:
You can apply the same technique for your other line if you want.

Why does scipy.optimize.curve_fit not fit to the data?

I've been trying to fit an exponential to some data for a while using scipy.optimize.curve_fit but i'm having real difficulty. I really can't see any reason why this wouldn't work but it just produces a strait line, no idea why!
Any help would be much appreciated
from __future__ import division
import numpy
from scipy.optimize import curve_fit
import matplotlib.pyplot as pyplot
def func(x,a,b,c):
return a*numpy.exp(-b*x)-c
yData = numpy.load('yData.npy')
xData = numpy.load('xData.npy')
trialX = numpy.linspace(xData[0],xData[-1],1000)
# Fit a polynomial
fitted = numpy.polyfit(xData, yData, 10)[::-1]
y = numpy.zeros(len(trailX))
for i in range(len(fitted)):
y += fitted[i]*trialX**i
# Fit an exponential
popt, pcov = curve_fit(func, xData, yData)
yEXP = func(trialX, *popt)
pyplot.figure()
pyplot.plot(xData, yData, label='Data', marker='o')
pyplot.plot(trialX, yEXP, 'r-',ls='--', label="Exp Fit")
pyplot.plot(trialX, y, label = '10 Deg Poly')
pyplot.legend()
pyplot.show()
xData = [1e-06, 2e-06, 3e-06, 4e-06,
5e-06, 6e-06, 7e-06, 8e-06,
9e-06, 1e-05, 2e-05, 3e-05,
4e-05, 5e-05, 6e-05, 7e-05,
8e-05, 9e-05, 0.0001, 0.0002,
0.0003, 0.0004, 0.0005, 0.0006,
0.0007, 0.0008, 0.0009, 0.001,
0.002, 0.003, 0.004, 0.005,
0.006, 0.007, 0.008, 0.009, 0.01]
yData =
[6.37420666067e-09, 1.13082012115e-08,
1.52835756975e-08, 2.19214493931e-08, 2.71258852882e-08, 3.38556130078e-08, 3.55765277358e-08,
4.13818145846e-08, 4.72543475372e-08, 4.85834751151e-08, 9.53876562077e-08, 1.45110636413e-07,
1.83066627931e-07, 2.10138415308e-07, 2.43503982686e-07, 2.72107045549e-07, 3.02911771395e-07,
3.26499455951e-07, 3.48319349445e-07, 5.13187669283e-07, 5.98480176303e-07, 6.57028222701e-07,
6.98347073045e-07, 7.28699930335e-07, 7.50686502279e-07, 7.7015576866e-07, 7.87147246927e-07,
7.99607141001e-07, 8.61398763228e-07, 8.84272900407e-07, 8.96463883243e-07, 9.04105135329e-07,
9.08443443149e-07, 9.12391264185e-07, 9.150842683e-07, 9.16878548643e-07, 9.18389990067e-07]
Numerical algorithms tend to work better when not fed extremely small (or large) numbers.
In this case, the graph shows your data has extremely small x and y values. If you scale them, the fit is remarkable better:
xData = np.load('xData.npy')*10**5
yData = np.load('yData.npy')*10**5
from __future__ import division
import os
os.chdir(os.path.expanduser('~/tmp'))
import numpy as np
import scipy.optimize as optimize
import matplotlib.pyplot as plt
def func(x,a,b,c):
return a*np.exp(-b*x)-c
xData = np.load('xData.npy')*10**5
yData = np.load('yData.npy')*10**5
print(xData.min(), xData.max())
print(yData.min(), yData.max())
trialX = np.linspace(xData[0], xData[-1], 1000)
# Fit a polynomial
fitted = np.polyfit(xData, yData, 10)[::-1]
y = np.zeros(len(trialX))
for i in range(len(fitted)):
y += fitted[i]*trialX**i
# Fit an exponential
popt, pcov = optimize.curve_fit(func, xData, yData)
print(popt)
yEXP = func(trialX, *popt)
plt.figure()
plt.plot(xData, yData, label='Data', marker='o')
plt.plot(trialX, yEXP, 'r-',ls='--', label="Exp Fit")
plt.plot(trialX, y, label = '10 Deg Poly')
plt.legend()
plt.show()
Note that after rescaling xData and yData, the parameters returned by curve_fit must also be rescaled. In this case, a, b and c each must be divided by 10**5 to obtain fitted parameters for the original data.
One objection you might have to the above is that the scaling has to be chosen rather "carefully". (Read: Not every reasonable choice of scale works!)
You can improve the robustness of curve_fit by providing a reasonable initial guess for the parameters. Usually you have some a priori knowledge about the data which can motivate ballpark / back-of-the envelope type guesses for reasonable parameter values.
For example, calling curve_fit with
guess = (-1, 0.1, 0)
popt, pcov = optimize.curve_fit(func, xData, yData, guess)
helps improve the range of scales on which curve_fit succeeds in this case.
A (slight) improvement to this solution, not accounting for a priori knowledge of the data might be the following: Take the inverse-mean of the data set and use that as the "scale factor" to be passed to the underlying leastsq() called by curve_fit(). This allows the fitter to work and returns the parameters on the original scale of the data.
The relevant line is:
popt, pcov = curve_fit(func, xData, yData)
which becomes:
popt, pcov = curve_fit(func, xData, yData,
diag=(1./xData.mean(),1./yData.mean()) )
Here is the full example which produces this image:
from __future__ import division
import numpy
from scipy.optimize import curve_fit
import matplotlib.pyplot as pyplot
def func(x,a,b,c):
return a*numpy.exp(-b*x)-c
xData = numpy.array([1e-06, 2e-06, 3e-06, 4e-06, 5e-06, 6e-06,
7e-06, 8e-06, 9e-06, 1e-05, 2e-05, 3e-05, 4e-05, 5e-05, 6e-05,
7e-05, 8e-05, 9e-05, 0.0001, 0.0002, 0.0003, 0.0004, 0.0005,
0.0006, 0.0007, 0.0008, 0.0009, 0.001, 0.002, 0.003, 0.004, 0.005
, 0.006, 0.007, 0.008, 0.009, 0.01])
yData = numpy.array([6.37420666067e-09, 1.13082012115e-08,
1.52835756975e-08, 2.19214493931e-08, 2.71258852882e-08,
3.38556130078e-08, 3.55765277358e-08, 4.13818145846e-08,
4.72543475372e-08, 4.85834751151e-08, 9.53876562077e-08,
1.45110636413e-07, 1.83066627931e-07, 2.10138415308e-07,
2.43503982686e-07, 2.72107045549e-07, 3.02911771395e-07,
3.26499455951e-07, 3.48319349445e-07, 5.13187669283e-07,
5.98480176303e-07, 6.57028222701e-07, 6.98347073045e-07,
7.28699930335e-07, 7.50686502279e-07, 7.7015576866e-07,
7.87147246927e-07, 7.99607141001e-07, 8.61398763228e-07,
8.84272900407e-07, 8.96463883243e-07, 9.04105135329e-07,
9.08443443149e-07, 9.12391264185e-07, 9.150842683e-07,
9.16878548643e-07, 9.18389990067e-07])
trialX = numpy.linspace(xData[0],xData[-1],1000)
# Fit a polynomial
fitted = numpy.polyfit(xData, yData, 10)[::-1]
y = numpy.zeros(len(trialX))
for i in range(len(fitted)):
y += fitted[i]*trialX**i
# Fit an exponential
popt, pcov = curve_fit(func, xData, yData,
diag=(1./xData.mean(),1./yData.mean()) )
yEXP = func(trialX, *popt)
pyplot.figure()
pyplot.plot(xData, yData, label='Data', marker='o')
pyplot.plot(trialX, yEXP, 'r-',ls='--', label="Exp Fit")
pyplot.plot(trialX, y, label = '10 Deg Poly')
pyplot.legend()
pyplot.show()
the model a*exp(-b*x)+c fit well the data, but I suggest a little modification:
use this instead
a*x*exp(-b*x)+c
good luck

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