Calculating probability with sklearn GMM - python

I want to determine the probability that a data point belongs to a population of data. I read that sklearn GMM can do this. I tried the following....
import numpy as np
from sklearn.mixture import GMM
training_data = np.hstack((
np.random.normal(500, 100, 2000).reshape(-1, 1),
np.random.normal(500, 100, 2000).reshape(-1, 1),
))
# train the classifier and get max score
g = GMM(n_components=1)
g.fit(training_data)
scores = g.score(training_data)
max_score = np.amax(scores)
# create a candidate data point and calculate the probability
# it belongs to the training population
candidate_data = np.array([[490, 450]])
candidate_score = g.score(candidate_data)
From this point on I'm not sure what to do. I was reading that I have to normalize the log probability in order to get the probability of a candidate data point belonging to a population. Would that be something like this...
candidate_probability = (np.exp(candidate_score)/np.exp(max_score)) * 100
print candidate_probability
>>> [ 87.81751913]
The number does not seem unreasonable, but I'm really out of my comfort zone here so I thought I'd ask. Thanks!

The candidate_probability you are using would not be statistically correct.
I think that what you would have to do is calculate the probabilities of the sample point being a member of only one of the individual gaussians (from the weights and multivariate cumulative distribution functions (CDFs)) and sum up those probabilities. The largest problem is that I cannot find a good python package that would calculate the multivariate CDFs. Unless you are able to find one, this paper would be a good starting point https://upload.wikimedia.org/wikipedia/commons/a/a2/Cumulative_function_n_dimensional_Gaussians_12.2013.pdf

Related

How can I find the respective P-values for a multiple linear regression using the linear model from sklearn?

So, I'm trying to develop a ml model for multiple linear regression that predicts the Y given n number of X variables. So far, my model can read in a data set and give the predicted value with a coefficient of determination as well as the respective coefficients for a 1-unit increase in X. The only issues are:
I can't get the p-value for the life of me, it says most of the time the data isn't shaped right due to it being 5 columns and 1329 rows. When I do get an output, they're just incorrect, I know because I did the regression in analysis toolpak in excel.
Is there a way to make the model recursive so that it recognizes the highest pvalue above .05 and calls itself again without said value until it hits the base case. Which would be something like
While dependent_v[pvalue] > .05:
Also what would be the best visualization method to show my data?
Thank you for any and all that help, I'm just starting to delve into machine learning on my own and want to hone my skills before an upcoming data science internship in the summer.
import matplotlib.pyplot as plt
import pandas as pd
from sklearn import linear_model
def multipleReg():
dfreg = pd.read_csv("dfreg.csv")
#Setting dependent variables
dependent_v = ['Large_size', 'Mid_Level', 'Senior_Level', 'Exec_Level', 'Company_Location']
#Setting independent variable
independent_v = 'Salary_In_USD'
X = dfreg[dependent_v] #Drawing dependent variables from dataframe
y = dfreg[independent_v] #Drawing independent variable from dataframe
reg = linear_model.LinearRegression() #Initializing regression model
reg.fit(X.values,y) #Fitting appropriate values
predicted_sal = reg.predict([[1,0,1,0,0]]) #Prediction using 2 dimensions in array
percent_rscore = (reg.score(X.values,y)*100) #Model coefficient of determination
print('\n')
print("The predicted salary is:", predicted_sal)
print("The Coefficient of deterimination is:", "{:,.2f}%".format(percent_rscore))
#Printing coefficents of dependent variables(How much Y increases due to 1
#unit increase in X)
print("The corresponding coefficients for the dependent variables are:", reg.coef_)
As far as i know sklearn doesn't return p values, is better using the statsmodels library.
But if you need to use sklearn anyway, you can find various solutions here:
Find p-value (significance) in scikit-learn LinearRegression

Chi Squared Analysis on Data sets that don't have matching frequencies

I have 15 data sets each of which I have fitted with a curve. Now I am trying to determine the quality of fit by doing a chi-squared test; however, when I run my code:
chi, p_value = stats.chisquare(n, y)
where n is the actual data and y is the predicted data, I get the error
For each axis slice, the sum of the observed frequencies must agree with the sum of the expected frequencies to a relative tolerance of 1e-08, but the percent differences are:
0.1350785306607008
I can't seem to understand why they have to add up to the same total - are there any ways I can run a chi-squared test without muddling my data?
This chi-squared test for goodness of fit indeed requires the sums of both inputs to be (almost) the same. So, if you want to check whether your model fits the observations n well, you have to adjust the counts y of your model as described e.g. here. This could be done with a small wrapper:
from scipy.stats import chisquare
import numpy as np
def cs(n, y):
return chisquare(n, np.sum(n)/np.sum(y) * y)
Another possibility would be to go for R and use chisq.test.

Is there a way to get the probability of a prediction using XGBoostRegressor?

I have built a XGBoostRegressor model using around 200 categorical features predicting a countinous time variable.
But I would want to get both the actual prediction and the probability of that prediction as output. Is there any way to get this from the XGBoostRegressor model?
So I both want and P(Y|X) as output. Any idea how to do this?
There is no probability in regression, In regression the only output you will get is a predicted value thats why it is called regression, so for any regressor probability of a prediction is not possible. Its only there in classification.
As mentioned before, there is no probability associated with regression.
However, you could probably add a confidence interval on that regression, to see whether or not your regression can be trusted.
One thing to note though, is that the variance might not be the same along the data.
Let's assume that you study a time based phenomenon. Specifically, you have the temperature (y) after (x) time (in sec for instance) inside an oven. At x = 0s it is at 20°C, and you start heating it, and want to know the evolution in order to predict the temperature after x seconds. The variance could be the same after 20 seconds and after 5 minutes, or be completely different. This is called heteroscedasticity.
If you want to use a confidence interval, you probably want to make sure that you took care of heteroscedasticity, so your interval is the same for all the data.
You can probably try to get the distribution of your known outputs and compare the prediction on that curve, and check the pvalue. But that would only give you a measure of how realistic it is to get that output, without taking the input into consideration. If you know your inputs/outputs are in a specific interval, this could work.
EDIT
This is how I would do it. Obviously the outputs are your real outputs.
import numpy as np
import matplotlib.pyplot as plt
from scipy import integrate
from scipy.interpolate import interp1d
N = 1000 # The number of sample
mean = 0
std = 1
outputs = np.random.normal(loc=mean, scale=std, size=N)
# We want to get a normed histogram (since this is PDF, if we integrate
# it must be equal to 1)
nbins = N / 10
n = int(N / nbins)
p, x = np.histogram(outputs, bins=n, normed=True)
plt.hist(outputs, bins=n, normed=True)
x = x[:-1] + (x[ 1] - x[0])/2 # converting bin edges to centers
# Now we want to interpolate :
# f = CubicSpline(x=x, y=p, bc_type='not-a-knot')
f = interp1d(x=x, y=p, kind='quadratic', fill_value='extrapolate')
x = np.linspace(-2.9*std, 2.9*std, 10000)
plt.plot(x, f(x))
plt.show()
# To check :
area = integrate.quad(f, x[0], x[-1])
print(area) # (should be close to 1)
Now, the interpolate method is not great for outliers. if a predicted data is extremely far (more than 3 times the std) from your distribution, it wont work. Other than that, you can now use the PDF to get meaningful results.
It is not perfect, but it is the best I came up with in that time. I'm sure there are some better ways to do it. If your data follow a normal law, it becomes trivial.
I suggest you to look into Ngboost (essentially a wrapper of Xgboost which provides eventually a probabilistic model.
Here you can find slides on the Ngboost functioning and the seminal Ngboost paper.
The basic idea is to assume a specific distribution for $P(Y|X=x)$ (by default is the Gaussian distribution) and fit an Xgboost model to estimate the best parameters of the distribution (for the Gaussian $\mu$ and $\sigma$. The model will split the variables' space into different regions with different distributions, i.e. same family (eg. Gaussian) but different parameters.
After training the model, you're provided with the method '''pred_dist''' which returns the estimated distribution $P(Y|X=x)$ for a given set of values $x$

Understanding Partial Dependence for Gradient Boosted Regression trees

I am looking at the tutorial for partial dependence plots in Python. No equation is given in the tutorial or in the documentation. The documentation of the R function gives the formula I expected:
This does not seem to make sense with the results given in the Python tutorial. If it is an average of the prediction of house prices, then how is it negative and small? I would expect values in the millions. Am I missing something?
Update:
For regression it seems the average is subtracted off of the above formula. How would this be added back? For my trained model I can get the partial dependence by
from sklearn.ensemble.partial_dependence import partial_dependence
partial_dependence, independent_value = partial_dependence(model, features.index(independent_feature),X=df2[features])
I want to add (?) back on the average. Would I get this by just using model.predict() on the df2 values with the independent_feature values changed?
how the R formula works
The r formula presented in the question applies to a randomForest. Each tree in a random forest tries to predict the target variable directly. Thus, prediction of each tree lies in the expected interval (in your case, all house prices are positive), and prediction of the ensemble is just the average of all the individual predictions.
ensemble_prediction = mean(tree_predictions)
This is what the formula tells you: just take predictions of all the trees x and average them.
why the Python PDP values are small
In sklearn, however, partial dependence is calculated for a GradientBoostingRegressor. In gradient boosting, each tree predicts the derivative of the loss function at current prediction, which is only indirectly related to the target variable. For GB regression, prediction is given as
ensemble_prediction = initial_prediction + sum(tree_predictions * learning_rate)
and for GB classification predicted probability is
ensemble_prediction = softmax(initial_prediction + sum(tree_predictions * learning_rate))
For both cases, partial dependency is reported as just
sum(tree_predictions * learning_rate)
Thus, initial_prediction (for GradientBoostingRegressor(loss='ls') it equals just the mean of the training y) is not included into the PDP, which makes the predictions negative.
As for the small range of its values, the y_train in your example is small: mean hous value is roughly 2, so house prices are probably expressed in millions.
how the sklearn formula actually works
I have already said that in sklearn the value of partial dependence function is an average of all trees. There is one more tweak: all irrelevant features are averaged away. To describe the actual way of averaging, I will just quote the documentation of sklearn:
For each value of the ‘target’ features in the grid the partial
dependence function need to marginalize the predictions of a tree over
all possible values of the ‘complement’ features. In decision trees
this function can be evaluated efficiently without reference to the
training data. For each grid point a weighted tree traversal is
performed: if a split node involves a ‘target’ feature, the
corresponding left or right branch is followed, otherwise both
branches are followed, each branch is weighted by the fraction of
training samples that entered that branch. Finally, the partial
dependence is given by a weighted average of all visited leaves. For
tree ensembles the results of each individual tree are again averaged.
And if you are still not satisfied, see the source code.
an example
To see that the prediction is already on the scale of the dependent variable (but is just centered), you can look at a very toy example:
import numpy as np
import matplotlib.pyplot as plt
from sklearn.ensemble import GradientBoostingRegressor
from sklearn.ensemble.partial_dependence import plot_partial_dependence
np.random.seed(1)
X = np.random.normal(size=[1000, 2])
# yes, I will try to fit a linear function!
y = X[:, 0] * 10 + 50 + np.random.normal(size=1000, scale=5)
# mean target is 50, range is from 20 to 80, that is +/- 30 standard deviations
model = GradientBoostingRegressor().fit(X, y)
fig, subplots = plot_partial_dependence(model, X, [0, 1], percentiles=(0.0, 1.0), n_cols=2)
subplots[0].scatter(X[:, 0], y - y.mean(), s=0.3)
subplots[1].scatter(X[:, 1], y - y.mean(), s=0.3)
plt.suptitle('Partial dependence plots and scatters of centered target')
plt.show()
You can see that partial dependence plots reflect the true distribution of the centered target variable pretty well.
If you want not only the units, but the mean to coincide with your y, you have to add the "lost" mean to the result of the partial_dependence function and then plot the results manually:
from sklearn.ensemble.partial_dependence import partial_dependence
pdp_y, [pdp_x] = partial_dependence(model, X=X, target_variables=[0], percentiles=(0.0, 1.0))
plt.scatter(X[:, 0], y, s=0.3)
plt.plot(pdp_x, pdp_y.ravel() + model.init_.mean)
plt.show()
plt.title('Partial dependence plot in the original coordinates');
You are looking at a Partial Dependence Plot. A PDP is a graph that represents
a set of variables/predictors and their effect on the target field (in this case price). Those graphs do not estimate actual prices.
It is important to realize that a PDP is not a representation of the dataset values or price. It is a representation of the variables effect on the target field. The negative numbers are logits of probabilities, not raw probabilities.

How to use FLANN for labeling and clustering?

I read a paper that their retrieval system is based on SIFT descriptor and fast approximate k-means clustering. I installed pyflann. If I am not mistaken the following commands only find the indices of the close datapoints to a specific sample (for example, here, the indices of 5 nearest points from dataset to testset)
from pyflann import *
from numpy import *
from numpy.random import *
dataset = rand(10000, 128)
testset = rand(1000, 128)
flann = FLANN()
result,dists = flann.nn(dataset,testset,5,algorithm="kmeans",
branching=32, iterations=7, checks=16)
I went through user manual, however, could find how can I do k-means clusterin with FLANN. and How can I fit the test based on the cluster centers. As we can use the kmeans++ clustering` in scikitlearn, and then we are fitting the dataset based on the model:
kmeans=KMeans(n_clusters=100,init='k-means++',random_state = 0, verbose=0)
kmeans.fit(dataset)
and later we can assign labels to the test set by using KDTree for example.
kdt=KDTree(kmeans.cluster_centers_)
Q=testset #query
kdt_dist,kdt_idx=kdt.query(Q,k=1) #knn
test_labels=kdt_idx #knn=1 labels
Could someone please help me how can I use the same procedure with FLANN? (I mean clustering the dataset (finding the cluster centers and quantizing features) and then quantizing testset based on cluster centers found from the previous step).
You won't be able to do the best variations with FLANN, because these use two indexes at the same time, and are ugly to implement.
But you can build a new index on the centers for every iteration. But unless you have k > 1000 it probably will not help much.

Categories

Resources