Currently, I am trying to solve a problem from astrophysics which can be simplified as following :
I wanted to fit a linear model (say y = a + b*x) to observed data, and I wish to use PyMC to characterize posterior of a and b in discrete grid parameter space like in this figure:
I know PyMC has DiscreteMetropolis class to find posterior in discrete space, but that's in integer space, not in custom discrete space. So I am thinking to define a potential to force PyMC to search in the grid, but not working well...Can anyone help with this? or Anyone has solved a similar problem? Any thoughts will be greatly appreciated :)
Here is my draft code, commented out potential class is my idea to force PyMC to search in the grid:
import sys
import matplotlib.pyplot as plt
import numpy as np
from scipy import stats
import pymc
#------------------------------------------------------------
# Generate the data
size = 200
slope_true = 12.3
y_intercept_true = 22.4
x = np.linspace(0, 1, size)
# y = a + b*x
y_true = y_intercept_true + slope_true * x
# add noise
y = y_true + np.random.normal(scale=.03, size=size)
# Define searching parameter space
# Note: this is discrete but not in the form of integer
slope_search_space = np.linspace(1,30,51)
y_intercept_search_space = np.linspace(1,30,51)
#------------------------------------------------------------
#Start initializing PyMC
#pymc.stochastic(dtype=int)
def slope(value = 5, t_l=1, t_h=30):
"""The switchpoint for the rate of disaster occurrence."""
def logp(value, t_l, t_h):
if value > t_h or value < t_l:
return -np.inf
else:
return -np.log(t_h - t_l + 1)
##pymc.potential
#def slope_prior(val=slope,t_l=-30, t_h=30):
# if val not in slope_search_space:
# return -np.inf
# return -np.log(t_h - t_l + 1)
#---
#pymc.stochastic(dtype=int)
def y_intercept(value=4, t_l=1, t_h=30):
"""The switchpoint for the rate of disaster occurrence."""
def logp(value, t_l, t_h):
if value > t_h or value < t_l:
return -np.inf
else:
return -np.log(t_h - t_l + 1)
##pymc.potential
#def y_intercept_prior(val=y_intercept,t_l=-30, t_h=30):
# if val not in y_intercept_search_space:
# return -np.inf
# return -np.log(t_h - t_l + 1)
# Define observed data
#pymc.deterministic
def mu(x=x, slope=slope, y_intercept=y_intercept):
# Linear age-price model
return y_intercept + slope*x
# Sampling distribution of prices
p = pymc.Poisson('p', mu, value=y, observed=True)
model = dict(slope=slope, y_intercept=y_intercept, mu=mu, p=p)
#-----------------------------------------------------------
# perform the MCMC
M = pymc.MCMC(model)
trace = M.sample(iter=10000,burn=5000)
#Plot
pymc.Matplot.plot(M)
plt.figure()
pymc.Matplot.summary_plot([M.slope,M.y_intercept])
plt.show()
I managed to solve my problem a few days ago. And to my surprise, some of my astronomy friends in Facebook group are also interested in this question, so I think it might be useful to post my solution just in case other people are having the same issue. Please note, this solution may not be the best way to tackle this problem, in fact, I believed there's more elegant way. But for now, this is the best I can come up with. Hope this is helpful to some of you.
The way I solve the problem is very straightforward, and I summarized as follow
1> Define slope, y_intercept stochastic variable in continuous form (PyMC then will use Metropolis to do sampling)
2> Define a function find_nearest to map continuous random variable slope, y_intercept to Grid e.g. Grid_slope=np.array([1,2,3,4,…51]), slope=4.678, then find_nearest(Grid_slope, slope) will return 5, as slope value is closest to 5 in the Grid_slope. Similarly to y_intercept variable.
3> When compute the likelihood, this is where I do the trick, I applied the find_nearest function to model in likelihood function i.e. to change model(slope, y_intercept) to model(find_nearest(Grid_slope, slope), find_nearest(Grid_y_intercept, y_intercept)), which will compute likelihood only upon Grid parameter space.
4> The trace returned for slope and y_intercept by PyMC may not be strictly Grid value, you can use find_nearest function to map trace to Grid value, and then making any statistical inference from it. For my case, I just use the trace straightaway to get statistics, and the result is nice :)
import sys
import matplotlib.pyplot as plt
import numpy as np
from scipy import stats
import pymc
#------------------------------------------------------------
# Generate the data
size = 200
slope_true = 12.3
y_intercept_true = 22.4
x = np.linspace(0, 1, size)
# y = a + b*x
y_true = y_intercept_true + slope_true * x
# add noise
y = y_true + np.random.normal(scale=.03, size=size)
# Define searching parameter space
# Note: this is discrete but not in the form of integer
slope_search_space = np.linspace(1,30,51)
y_intercept_search_space = np.linspace(1,30,51)
#------------------------------------------------------------
#Start initializing PyMC
from pymc import Normal, Gamma, deterministic, MCMC, Matplot, Uniform
# Constant priors for parameters
slope = Uniform('slope', 1, 30)
y_intercept = Uniform('y_intp', 1, 30)
# Precision of normal distribution of y value
tau = Uniform('tau',0,10000 )
#deterministic
def mu(x=x,slope=slope, y_intercept=y_intercept):
def find_nearest(array,value):
"""
This function maps 'value' to the nearest point in 'array'
"""
idx = (np.abs(array-value)).argmin()
return array[idx]
# Linear model
iso = find_nearest(y_intercept_search_space,y_intercept) + find_nearest(slope_search_space,slope)*x
return iso
# Sampling distribution of y
p = Normal('p', mu, tau, value=y, observed=True)
model = dict(slope=slope, y_intercept=y_intercept,tau=tau, mu=mu, p=p)
#-----------------------------------------------------------
# perform the MCMC
M = pymc.MCMC(model)
trace = M.sample(40000,20000)
#Plot
pymc.Matplot.plot(M)
M.slope.summary()
M.y_intercept.summary()
plt.figure()
pymc.Matplot.summary_plot([M.slope,M.y_intercept])
plt.show()
Related
I am triyng to use scipy curve_fit function to fit a gaussian function to my data to estimate a theoretical power spectrum density. While doing so, the curve_fit function always return the initial parameters (p0=[1,1,1]) , thus telling me that the fitting didn't work.
I don't know where the issue is. I am using python 3.9 (spyder 5.1.5) from the anaconda distribution on windows 11.
here a Wetransfer link to the data file
https://wetransfer.com/downloads/6097ebe81ee0c29ee95a497128c1c2e420220704110130/86bf2d
Here is my code below. Can someone tell me what the issue is, and how can i solve it?
on the picture of the plot, the blue plot is my experimental PSD and the orange one is the result of the fit.
import numpy as np
import math
import matplotlib.pyplot as plt
from scipy.optimize import curve_fit
import scipy.constants as cst
File = np.loadtxt('test5.dat')
X = File[:, 1]
Y = File[:, 2]
f_sample = 50000
time=[]
for i in range(1,len(X)+1):
t=i*(1/f_sample)
time= np.append(time,t)
N = X.shape[0] # number of observation
N1=int(N/2)
delta_t = time[2] - time[1]
T_mes = N * delta_t
freq = np.arange(1/T_mes, (N+1)/T_mes, 1/T_mes)
freq=freq[0:N1]
fNyq = f_sample/2 # Nyquist frequency
nb = 350
freq_block = []
# discrete fourier tansform
X_ft = delta_t*np.fft.fft(X, n=N)
X_ft=X_ft[0:N1]
plt.figure()
plt.plot(time, X)
plt.xlabel('t [s]')
plt.ylabel('x [micro m]')
# Experimental power spectrum on both raw and blocked data
PSD_X_exp = (np.abs(X_ft)**2/T_mes)
PSD_X_exp_b = []
STD_PSD_X_exp_b = []
for i in range(0, N1+2, nb):
freq_b = np.array(freq[i:i+nb]) # i-nb:i
psd_b = np.array(PSD_X_exp[i:i+nb])
freq_block = np.append(freq_block, (1/nb)*np.sum(freq_b))
PSD_X_exp_b = np.append(PSD_X_exp_b, (1/nb)*np.sum(psd_b))
STD_PSD_X_exp_b = np.append(STD_PSD_X_exp_b, PSD_X_exp_b/np.sqrt(nb))
plt.figure()
plt.loglog(freq, PSD_X_exp)
plt.legend(['Raw Experimental PSD'])
plt.xlabel('f [Hz]')
plt.ylabel('PSD')
plt.figure()
plt.loglog(freq_block, PSD_X_exp_b)
plt.legend(['Experimental PSD after blocking'])
plt.xlabel('f [Hz]')
plt.ylabel('PSD')
kB = cst.k # Boltzmann constant [m^2kg/s^2K]
T = 273.15 + 25 # Temperature [K]
r = (2.8 / 2) * 1e-6 # Particle radius [m]
v = 0.00002414 * 10 ** (247.8 / (-140 + T)) # Water viscosity [Pa*s]
gamma = np.pi * 6 * r * v # [m*Pa*s]
Do = kB*T/gamma # expected value for D
f3db_o = 50000 # expected value for f3db
fc_o = 300 # expected value pour fc
n = np.arange(-10,11)
def theo_spectrum_lorentzian_filter(x, D_, fc_, f3db_):
PSD_theo=[]
for i in range(0,len(x)):
# print(i)
psd_theo=np.sum((((D_*Do)/2*math.pi**2)/((fc_*fc_o)**2+(x[i]+n*f_sample)
** 2))*(1/(1+((x[i]+n*f_sample)/(f3db_*f3db_o))**2)))
PSD_theo= np.append(PSD_theo,psd_theo)
return PSD_theo
popt, pcov = curve_fit(theo_spectrum_lorentzian_filter, freq_block, PSD_X_exp_b, p0=[1, 1, 1], sigma=STD_PSD_X_exp_b, absolute_sigma=True, check_finite=True,bounds=(0.1, 10), method='trf', jac=None)
D_, fc_, f3db_ = popt
D1 = D_*Do
fc1 = fc_*fc_o
f3db1 = f3db_*f3db_o
print('Diffusion constant D = ', D1, ' Corner frequency fc= ',fc1, 'f3db(diode,eff)= ', f3db1)
I believe I've successfully fitted your data. Here's the approach I took.
First, I plotted your model (with popt=[1, 1, 1]) and the data you had. I noticed your data was significantly lower than the model. Then I started fiddling with the parameters. I wanted to push the model upwards. I did that by multiplying popt[0] by increasingly large values. I ended up with 1E13 as a ballpark value. Note that I have no idea if this is physically possible for your model. Then I jury-rigged your fitting function to multiply D_ by 1E13 and ran your code. I got this fit:
So I believe it's a problem of 1) inappropriate starting values and 2) inappropriate bounds. In your position, I would revise this model, check if there's any problems with units and so on.
Here's what I used to try to fit your model:
plt.figure()
plt.loglog(freq_block[:170], PSD_X_exp_b[:170], label='Exp')
plt.loglog(freq_block[:170],
theo_spectrum_lorentzian_filter(
freq_block[:170],
1E13*popt[0], popt[1], popt[2]),
label='model'
)
plt.xlabel('f [Hz]')
plt.ylabel('PSD')
plt.legend()
I limited the data to point 170 because there were some weird backwards values that made me uncomfortable. I would recheck them if I were you.
Here's the model code I used. I didn't change the curve_fit call (except to limit x to :170.
def theo_spectrum_lorentzian_filter(x, D_, fc_, f3db_):
PSD_theo=[]
D_ = 1E13*D_ # I only changed here
for i in range(0,len(x)):
psd_theo=np.sum((((D_*Do)/2*math.pi**2)/((fc_*fc_o)**2+(x[i]+n*f_sample)
** 2))*(1/(1+((x[i]+n*f_sample)/(f3db_*f3db_o))**2)))
PSD_theo= np.append(PSD_theo,psd_theo)
return PSD_theo
I'm trying to implement emcee MCMC sampling in Python with a predefined likelihood function to find the best boundary between two populations of data.
For emcee see: http://dfm.io/emcee/current/user/line/
The likelihood function calculates the true positive and true negative classifications, given some linear boundary line, and is used to minimise the difference between the two values whilst maximising their sum.
This way you can imagine a TP and TN rate of 1 respectively will give a likelihood value of 1 while TP and TN rates of 0 will return a likelihood value of 0.
But when I attempt to sample the parameter space for m and b, the gradient and offset (or bias), for the boundary line, I get some wildly big and/or small values for the walks.
I have put an example code below which generates some nicely divided populations and then MCMCs around the initial guesses of the parameter values. I'm unsure as to why the MCMC chains don't converge nicely to an appropriate value here so any help would be greatly appreciated.
The following code should run out-of-the-box.
import emcee
import numpy as np
from sklearn.metrics import confusion_matrix
import matplotlib.pyplot as plt
#generate some test x and y data
folded_xy_train = np.random.uniform(0,1,10000) #test x data
folded_z_train = np.random.uniform(0,1,10000) #test y data
#define the true gradient and offset for the boundary line
m_true, b_true = 5,-2.5
#generate labels for the test data
rounded_labels_train = np.ones(len(folded_z_train))
model = (m_true*folded_xy_train) + b_true
difference = model - folded_z_train
rounded_labels_train[difference<0] = 0
#show the test data
plt.figure()
plt.scatter(folded_xy_train,folded_z_train,c=rounded_labels_train,s=1.0)
#define a likelihood function for the boundary line
def lnlike(theta, x, y, labels):
m, b = theta
model = (m*x) + b
difference = model - y
classifications = np.ones(len(y))
classifications[difference<0]=0
cfm = confusion_matrix(labels,classifications)
cm = cfm.astype('float') / cfm.sum(axis=1)[:, np.newaxis]
tn, fp, fn, tp = cm.ravel()
likelihood_val = (0.5*(tp+tn))/(1+np.abs(tp-tn))
ln_like = -np.log(likelihood_val)
return ln_like
#define a wide flat prior
def lnprior(theta):
m, b, = theta
if 0 < m < 10 and -20 < b < 5:
return 0.0
return -np.inf
#define the posterior
def lnprob(p, x, y, labels):
lp = lnprior(p)
if not np.isfinite(lp):
return 0
return lp + lnlike(p, x, y, labels)
#setup the MCMC sampling
nwalkers = 4
ndim = 2
p0 = np.array([4.2,-2]) + [np.random.rand(ndim) for i in range(nwalkers)]
sampler = emcee.EnsembleSampler(nwalkers, ndim, lnprob, args=(folded_xy_train, folded_z_train, rounded_labels_train))
sampler.run_mcmc(p0, 500)
#extract the MCMC paramater value chains
samples = sampler.chain[:, 50:, :].reshape((-1, ndim))
#view the parameter chains
plt.figure()
plt.subplot(211)
plt.plot(samples[:,0])
plt.subplot(212)
plt.plot(samples[:,1])
The initial test data, showing an obvious boundary line for given x y data (coloured by binary class label):
The sample walks, showing strange sampling for the gradient parameter (top) and offset parameter (bottom). The x-axis denotes the MCMC walk step number and the y-axis denotes the MCMC parameter values at a given step:
I am trying to find a python package that would give an option to fit natural smoothing splines with user selectable smoothing factor. Is there an implementation for that? If not, how would you use what is available to implement it yourself?
By natural spline I mean that there should be a condition that the second derivative of the fitted function at the endpoints is zero (linear).
By smoothing spline I mean that the spline should not be 'interpolating' (passing through all the datapoints). I would like to decide the correct smoothing factor lambda (see the Wikipedia page for smoothing splines) myself.
What I have found
scipy.interpolate.CubicSpline [link]: Does natural (cubic) spline fitting. Does interpolation, and there is no way to smooth the data.
scipy.interpolate.UnivariateSpline [link]: Does spline fitting with user selectable smoothing factor. However, there is no option to make the splines natural.
After hours of investigation, I did not find any pip installable packages which could fit a natural cubic spline with user-controllable smoothness. However, after deciding to write one myself, while reading about the topic I stumbled upon a blog post by github user madrury. He has written python code capable of producing natural cubic spline models.
The model code is available here (NaturalCubicSpline) with a BSD-licence. He has also written some examples in an IPython notebook.
But since this is the Internet and links tend to die, I will copy the relevant parts of the source code here + a helper function (get_natural_cubic_spline_model) written by me, and show an example of how to use it. The smoothness of the fit can be controlled by using different number of knots. The position of the knots can be also specified by the user.
Example
from matplotlib import pyplot as plt
import numpy as np
def func(x):
return 1/(1+25*x**2)
# make example data
x = np.linspace(-1,1,300)
y = func(x) + np.random.normal(0, 0.2, len(x))
# The number of knots can be used to control the amount of smoothness
model_6 = get_natural_cubic_spline_model(x, y, minval=min(x), maxval=max(x), n_knots=6)
model_15 = get_natural_cubic_spline_model(x, y, minval=min(x), maxval=max(x), n_knots=15)
y_est_6 = model_6.predict(x)
y_est_15 = model_15.predict(x)
plt.plot(x, y, ls='', marker='.', label='originals')
plt.plot(x, y_est_6, marker='.', label='n_knots = 6')
plt.plot(x, y_est_15, marker='.', label='n_knots = 15')
plt.legend(); plt.show()
The source code for get_natural_cubic_spline_model
import numpy as np
import pandas as pd
from sklearn.base import BaseEstimator, TransformerMixin
from sklearn.linear_model import LinearRegression
from sklearn.pipeline import Pipeline
def get_natural_cubic_spline_model(x, y, minval=None, maxval=None, n_knots=None, knots=None):
"""
Get a natural cubic spline model for the data.
For the knots, give (a) `knots` (as an array) or (b) minval, maxval and n_knots.
If the knots are not directly specified, the resulting knots are equally
space within the *interior* of (max, min). That is, the endpoints are
*not* included as knots.
Parameters
----------
x: np.array of float
The input data
y: np.array of float
The outpur data
minval: float
Minimum of interval containing the knots.
maxval: float
Maximum of the interval containing the knots.
n_knots: positive integer
The number of knots to create.
knots: array or list of floats
The knots.
Returns
--------
model: a model object
The returned model will have following method:
- predict(x):
x is a numpy array. This will return the predicted y-values.
"""
if knots:
spline = NaturalCubicSpline(knots=knots)
else:
spline = NaturalCubicSpline(max=maxval, min=minval, n_knots=n_knots)
p = Pipeline([
('nat_cubic', spline),
('regression', LinearRegression(fit_intercept=True))
])
p.fit(x, y)
return p
class AbstractSpline(BaseEstimator, TransformerMixin):
"""Base class for all spline basis expansions."""
def __init__(self, max=None, min=None, n_knots=None, n_params=None, knots=None):
if knots is None:
if not n_knots:
n_knots = self._compute_n_knots(n_params)
knots = np.linspace(min, max, num=(n_knots + 2))[1:-1]
max, min = np.max(knots), np.min(knots)
self.knots = np.asarray(knots)
#property
def n_knots(self):
return len(self.knots)
def fit(self, *args, **kwargs):
return self
class NaturalCubicSpline(AbstractSpline):
"""Apply a natural cubic basis expansion to an array.
The features created with this basis expansion can be used to fit a
piecewise cubic function under the constraint that the fitted curve is
linear *outside* the range of the knots.. The fitted curve is continuously
differentiable to the second order at all of the knots.
This transformer can be created in two ways:
- By specifying the maximum, minimum, and number of knots.
- By specifying the cutpoints directly.
If the knots are not directly specified, the resulting knots are equally
space within the *interior* of (max, min). That is, the endpoints are
*not* included as knots.
Parameters
----------
min: float
Minimum of interval containing the knots.
max: float
Maximum of the interval containing the knots.
n_knots: positive integer
The number of knots to create.
knots: array or list of floats
The knots.
"""
def _compute_n_knots(self, n_params):
return n_params
#property
def n_params(self):
return self.n_knots - 1
def transform(self, X, **transform_params):
X_spl = self._transform_array(X)
if isinstance(X, pd.Series):
col_names = self._make_names(X)
X_spl = pd.DataFrame(X_spl, columns=col_names, index=X.index)
return X_spl
def _make_names(self, X):
first_name = "{}_spline_linear".format(X.name)
rest_names = ["{}_spline_{}".format(X.name, idx)
for idx in range(self.n_knots - 2)]
return [first_name] + rest_names
def _transform_array(self, X, **transform_params):
X = X.squeeze()
try:
X_spl = np.zeros((X.shape[0], self.n_knots - 1))
except IndexError: # For arrays with only one element
X_spl = np.zeros((1, self.n_knots - 1))
X_spl[:, 0] = X.squeeze()
def d(knot_idx, x):
def ppart(t): return np.maximum(0, t)
def cube(t): return t*t*t
numerator = (cube(ppart(x - self.knots[knot_idx]))
- cube(ppart(x - self.knots[self.n_knots - 1])))
denominator = self.knots[self.n_knots - 1] - self.knots[knot_idx]
return numerator / denominator
for i in range(0, self.n_knots - 2):
X_spl[:, i+1] = (d(i, X) - d(self.n_knots - 2, X)).squeeze()
return X_spl
You could use this numpy/scipy implementation of natural cubic smoothing spline for univariate/multivariate data smoothing. Smoothing parameter should be in range [0.0, 1.0]. If we use smoothing parameter equal to 1.0 we get natural cubic spline interpolant without data smoothing. Also the implementation supports vectorization for univariate data.
Univariate example:
import numpy as np
import matplotlib.pyplot as plt
import csaps
np.random.seed(1234)
x = np.linspace(-5., 5., 25)
y = np.exp(-(x/2.5)**2) + (np.random.rand(25) - 0.2) * 0.3
sp = csaps.UnivariateCubicSmoothingSpline(x, y, smooth=0.85)
xs = np.linspace(x[0], x[-1], 150)
ys = sp(xs)
plt.plot(x, y, 'o', xs, ys, '-')
plt.show()
Bivariate example:
import numpy as np
import matplotlib.pyplot as plt
from mpl_toolkits.mplot3d import Axes3D
import csaps
xdata = [np.linspace(-3, 3, 61), np.linspace(-3.5, 3.5, 51)]
i, j = np.meshgrid(*xdata, indexing='ij')
ydata = (3 * (1 - j)**2. * np.exp(-(j**2) - (i + 1)**2)
- 10 * (j / 5 - j**3 - i**5) * np.exp(-j**2 - i**2)
- 1 / 3 * np.exp(-(j + 1)**2 - i**2))
np.random.seed(12345)
noisy = ydata + (np.random.randn(*ydata.shape) * 0.75)
sp = csaps.MultivariateCubicSmoothingSpline(xdata, noisy, smooth=0.988)
ysmth = sp(xdata)
fig = plt.figure()
ax = fig.add_subplot(111, projection='3d')
ax.plot_wireframe(j, i, noisy, linewidths=0.5, color='r')
ax.scatter(j, i, noisy, s=5, c='r')
ax.plot_surface(j, i, ysmth, linewidth=0, alpha=1.0)
plt.show()
The python package patsy has functions for generating spline bases, including a natural cubic spline basis. Described in the documentation.
Any library can then be used for fitting a model, e.g. scikit-learn or statsmodels.
The df parameter for cr() can be used to control the "smoothness"
Note that too low df can result to underfit (see below).
A simple example using scikit-learn.
import numpy as np
from sklearn.linear_model import LinearRegression
from patsy import cr
import matplotlib.pyplot as plt
n_obs = 600
np.random.seed(0)
x = np.linspace(-3, 3, n_obs)
y = 1 / (x ** 2 + 1) * np.cos(np.pi * x) + np.random.normal(0, 0.2, size=n_obs)
def plot_smoothed(df=5):
# Generate spline basis with different degrees of freedom
x_basis = cr(x, df=df, constraints="center")
# Fit model to the data
model = LinearRegression().fit(x_basis, y)
# Get estimates
y_hat = model.predict(x_basis)
plt.plot(x, y_hat, label=f"df={df}")
plt.scatter(x, y, s=4, color="tab:blue")
for df in (5, 7, 10, 25):
plot_smoothed(df)
plt.legend()
plt.title(f"Natural cubic spline with varying degrees of freedom")
plt.show()
For a project of mine, I needed to create intervals for time-series modeling, and to make the procedure more efficient I created tsmoothie: A python library for time-series smoothing and outlier detection in a vectorized way.
It provides different smoothing algorithms together with the possibility to computes intervals.
In the case of SplineSmoother of natural cubic type:
import numpy as np
import matplotlib.pyplot as plt
from tsmoothie.smoother import *
def func(x):
return 1/(1+25*x**2)
# make example data
x = np.linspace(-1,1,300)
y = func(x) + np.random.normal(0, 0.2, len(x))
# operate smoothing
smoother = SplineSmoother(n_knots=10, spline_type='natural_cubic_spline')
smoother.smooth(y)
# generate intervals
low, up = smoother.get_intervals('prediction_interval', confidence=0.05)
# plot the first smoothed timeseries with intervals
plt.figure(figsize=(11,6))
plt.plot(smoother.smooth_data[0], linewidth=3, color='blue')
plt.plot(smoother.data[0], '.k')
plt.fill_between(range(len(smoother.data[0])), low[0], up[0], alpha=0.3)
I point out also that tsmoothie can carry out the smoothing of multiple time-series in a vectorized way
The programming language R offers a very good implementation of natural cubic smoothing splines. You can use R functions in Python with rpy2:
import rpy2.robjects as robjects
r_y = robjects.FloatVector(y_train)
r_x = robjects.FloatVector(x_train)
r_smooth_spline = robjects.r['smooth.spline'] #extract R function# run smoothing function
spline1 = r_smooth_spline(x=r_x, y=r_y, spar=0.7)
ySpline=np.array(robjects.r['predict'](spline1,robjects.FloatVector(x_smooth)).rx2('y'))
plt.plot(x_smooth,ySpline)
If you want to directly set lambda: spline1 = r_smooth_spline(x=r_x, y=r_y, lambda=42) doesn't work, because lambda has already another meaning in Python, but there is a solution: How to use the lambda argument of smooth.spline in RPy WITHOUT Python interprating it as lambda.
To get the code running you first need to define the data x_train and y_train and you can define x_smooth=np.array(np.linspace(-3,5,1920)). if you want to plot it between -3 and 5 in Full-HD-resolution.
Note that this code is not fully compatible with Jupyter-notebooks for the latest versions of rpy2. You can fix this by using !pip install -Iv rpy2==3.4.2 as described in NotImplementedError: Conversion 'rpy2py' not defined for objects of type '<class 'rpy2.rinterface.SexpClosure'>' only after I run the code twice
I am trying to find the peak of my data set by fitting it to a Lorentzian (more specifically I have to find at what value of the B-field the peak occurs). However, what follows the peak is not symmetric and definitely not linear so I am having trouble getting a good fit. This is what I have tried:
import numpy
import pylab
from scipy.optimize import leastsq # Levenberg-Marquadt Algorithm #
def lorentzian(x,p):
numerator = (p[0]**2 )
denominator = ( x - (p[1]) )**2 + p[0]**2
y = p[2]*(numerator/denominator)+p[3]*(x-p[0])+p[4]
return y
def residuals(p,y,x):
err = y - lorentzian(x,p)
return err
a = numpy.loadtxt('QHE.dat')
x = a[int(len(a)*8.2/10):,0]
y = a[int(len(a)*8.2/10):,1]
# initial values #
p = [0.4,1.2,1.5,1,1] # [hwhm, peak center, intensity] #
pbest = leastsq(residuals,p,args=(y,x),full_output=1)
best_parameters = pbest[0]
# fit to data #
fit = lorentzian(x,best_parameters)
peaks.append(best_parameters)
pylab.figure()
pylab.plot(x,y,'wo')
pylab.plot(x,fit,'r-',lw=2)
pylab.xlabel('B field', fontsize=18)
pylab.ylabel('Resistance', fontsize=18)
pylab.show()`
Does anyone have a suggestion how to handle this?
Edit:
Here is the data file I am trying to fit. The goal is to find the minimum.
The code below is giving me a flat line for the line of best fit rather than a nice curve along the model of e^(-x) that would fit the data. Can anyone show me how to fix the code below so that it fits my data?
import numpy as np
import matplotlib.pyplot as plt
import scipy.optimize
def _eNegX_(p,x):
x0,y0,c,k=p
y = (c * np.exp(-k*(x-x0))) + y0
return y
def _eNegX_residuals(p,x,y):
return y - _eNegX_(p,x)
def Get_eNegX_Coefficients(x,y):
print 'x is: ',x
print 'y is: ',y
# Calculate p_guess for the vectors x,y. Note that p_guess is the
# starting estimate for the minimization.
p_guess=(np.median(x),np.min(y),np.max(y),.01)
# Calls the leastsq() function, which calls the residuals function with an initial
# guess for the parameters and with the x and y vectors. Note that the residuals
# function also calls the _eNegX_ function. This will return the parameters p that
# minimize the least squares error of the _eNegX_ function with respect to the original
# x and y coordinate vectors that are sent to it.
p, cov, infodict, mesg, ier = scipy.optimize.leastsq(
_eNegX_residuals,p_guess,args=(x,y),full_output=1,warning=True)
# Define the optimal values for each element of p that were returned by the leastsq() function.
x0,y0,c,k=p
print('''Reference data:\
x0 = {x0}
y0 = {y0}
c = {c}
k = {k}
'''.format(x0=x0,y0=y0,c=c,k=k))
print 'x.min() is: ',x.min()
print 'x.max() is: ',x.max()
# Create a numpy array of x-values
numPoints = np.floor((x.max()-x.min())*100)
xp = np.linspace(x.min(), x.max(), numPoints)
print 'numPoints is: ',numPoints
print 'xp is: ',xp
print 'p is: ',p
pxp=_eNegX_(p,xp)
print 'pxp is: ',pxp
# Plot the results
plt.plot(x, y, '>', xp, pxp, 'g-')
plt.xlabel('BPM%Rest')
plt.ylabel('LVET/BPM',rotation='vertical')
plt.xlim(0,3)
plt.ylim(0,4)
plt.grid(True)
plt.show()
return p
# Declare raw data for use in creating regression equation
x = np.array([1,1.425,1.736,2.178,2.518],dtype='float')
y = np.array([3.489,2.256,1.640,1.043,0.853],dtype='float')
p=Get_eNegX_Coefficients(x,y)
It looks like it's a problem with your initial guesses; something like (1, 1, 1, 1) works fine:
You have
p_guess=(np.median(x),np.min(y),np.max(y),.01)
for the function
def _eNegX_(p,x):
x0,y0,c,k=p
y = (c * np.exp(-k*(x-x0))) + y0
return y
So that's test_data_maxe^( -.01(x - test_data_median)) + test_data_min
I don't know much about the art of choosing good starting parameters, but I can say a few things. leastsq is finding a local minimum here - the key in choosing these values is to find the right mountain to climb, not to try to cut down on the work that the minimization algorithm has to do. Your initial guess looks like this (green):
(1.736, 0.85299999999999998, 3.4889999999999999, 0.01)
which results in your flat line (blue):
(-59.20295956, 1.8562 , 1.03477144, 0.69483784)
Greater gains were made in adjusting the height of the line than in increasing the k value. If you know you're fitting to this kind of data, use a larger k. If you don't know, I guess you could try to find a decent k value by sampling your data, or working back from the slope between an average of the first half and the second half, but I wouldn't know how to go about that.
Edit: You could also start with several guesses, run the minimization several times, and take the line with the lowest residuals.