Machine Learning Engineer Nanodegree

Model Evaluation & Validation

Project: Predicting Boston Housing Prices

Welcome to the first project of the Machine Learning Engineer Nanodegree! In this notebook, some template code has already been provided for you, and you will need to implement additional functionality to successfully complete this project. You will not need to modify the included code beyond what is requested. Sections that begin with 'Implementation' in the header indicate that the following block of code will require additional functionality which you must provide. Instructions will be provided for each section and the specifics of the implementation are marked in the code block with a 'TODO' statement. Please be sure to read the instructions carefully!

In addition to implementing code, there will be questions that you must answer which relate to the project and your implementation. Each section where you will answer a question is preceded by a 'Question X' header. Carefully read each question and provide thorough answers in the following text boxes that begin with 'Answer:'. Your project submission will be evaluated based on your answers to each of the questions and the implementation you provide.

Note: Code and Markdown cells can be executed using the Shift + Enter keyboard shortcut. In addition, Markdown cells can be edited by typically double-clicking the cell to enter edit mode.

Getting Started

In this project, you will evaluate the performance and predictive power of a model that has been trained and tested on data collected from homes in suburbs of Boston, Massachusetts. A model trained on this data that is seen as a good fit could then be used to make certain predictions about a home — in particular, its monetary value. This model would prove to be invaluable for someone like a real estate agent who could make use of such information on a daily basis.

The dataset for this project originates from the UCI Machine Learning Repository. The Boston housing data was collected in 1978 and each of the 506 entries represent aggregated data about 14 features for homes from various suburbs in Boston, Massachusetts. For the purposes of this project, the following preprocessing steps have been made to the dataset:

  • 16 data points have an 'MEDV' value of 50.0. These data points likely contain missing or censored values and have been removed.
  • 1 data point has an 'RM' value of 8.78. This data point can be considered an outlier and has been removed.
  • The features 'RM', 'LSTAT', 'PTRATIO', and 'MEDV' are essential. The remaining non-relevant features have been excluded.
  • The feature 'MEDV' has been multiplicatively scaled to account for 35 years of market inflation.

Run the code cell below to load the Boston housing dataset, along with a few of the necessary Python libraries required for this project. You will know the dataset loaded successfully if the size of the dataset is reported.


In [1]:
# Import libraries necessary for this project
import numpy as np
import pandas as pd
from sklearn.cross_validation import ShuffleSplit

# Import supplementary visualizations code visuals.py
import visuals as vs

# Pretty display for notebooks
%matplotlib inline

# Load the Boston housing dataset
data = pd.read_csv('housing.csv')
prices = data['MEDV']
features = data.drop('MEDV', axis = 1)
    
# Success
print "Boston housing dataset has {} data points with {} variables each.".format(*data.shape)


/Library/Python/2.7/site-packages/sklearn/cross_validation.py:44: DeprecationWarning: This module was deprecated in version 0.18 in favor of the model_selection module into which all the refactored classes and functions are moved. Also note that the interface of the new CV iterators are different from that of this module. This module will be removed in 0.20.
  "This module will be removed in 0.20.", DeprecationWarning)
/Library/Python/2.7/site-packages/sklearn/learning_curve.py:23: DeprecationWarning: This module was deprecated in version 0.18 in favor of the model_selection module into which all the functions are moved. This module will be removed in 0.20
  DeprecationWarning)
Boston housing dataset has 489 data points with 4 variables each.

Data Exploration

In this first section of this project, you will make a cursory investigation about the Boston housing data and provide your observations. Familiarizing yourself with the data through an explorative process is a fundamental practice to help you better understand and justify your results.

Since the main goal of this project is to construct a working model which has the capability of predicting the value of houses, we will need to separate the dataset into features and the target variable. The features, 'RM', 'LSTAT', and 'PTRATIO', give us quantitative information about each data point. The target variable, 'MEDV', will be the variable we seek to predict. These are stored in features and prices, respectively.

Implementation: Calculate Statistics

For your very first coding implementation, you will calculate descriptive statistics about the Boston housing prices. Since numpy has already been imported for you, use this library to perform the necessary calculations. These statistics will be extremely important later on to analyze various prediction results from the constructed model.

In the code cell below, you will need to implement the following:

  • Calculate the minimum, maximum, mean, median, and standard deviation of 'MEDV', which is stored in prices.
    • Store each calculation in their respective variable.

In [2]:
# TODO: Minimum price of the data
minimum_price = np.min(prices)

# TODO: Maximum price of the data
maximum_price = np.max(prices)

# TODO: Mean price of the data
mean_price = np.mean(prices)

# TODO: Median price of the data
median_price = np.median(prices)

# TODO: Standard deviation of prices of the data
std_price = np.std(prices)

# Show the calculated statistics
print "Statistics for Boston housing dataset:\n"
print "Minimum price: ${:,.2f}".format(minimum_price)
print "Maximum price: ${:,.2f}".format(maximum_price)
print "Mean price: ${:,.2f}".format(mean_price)
print "Median price ${:,.2f}".format(median_price)
print "Standard deviation of prices: ${:,.2f}".format(std_price)


Statistics for Boston housing dataset:

Minimum price: $105,000.00
Maximum price: $1,024,800.00
Mean price: $454,342.94
Median price $438,900.00
Standard deviation of prices: $165,171.13

Question 1 - Feature Observation

As a reminder, we are using three features from the Boston housing dataset: 'RM', 'LSTAT', and 'PTRATIO'. For each data point (neighborhood):

  • 'RM' is the average number of rooms among homes in the neighborhood.
  • 'LSTAT' is the percentage of homeowners in the neighborhood considered "lower class" (working poor).
  • 'PTRATIO' is the ratio of students to teachers in primary and secondary schools in the neighborhood.

Using your intuition, for each of the three features above, do you think that an increase in the value of that feature would lead to an increase in the value of 'MEDV' or a decrease in the value of 'MEDV'? Justify your answer for each.
Hint: Would you expect a home that has an 'RM' value of 6 be worth more or less than a home that has an 'RM' value of 7?

Answer:

  • RM: An increase in the number of rooms should cause an increase in the value of MEDV (Typically larger house -> more expensive)
  • LSTAT: An increase in the percentage of lower class neighbors should cause a decrease in the value of MEDV (Slums?)
  • PTRATIO: An increase in the ratio of students to to teachers should cause a decrease in the value of MEDV (Higher ratio = more students per teacher => less time a teacher can give each student individually => poor education => less desirable)

Developing a Model

In this second section of the project, you will develop the tools and techniques necessary for a model to make a prediction. Being able to make accurate evaluations of each model's performance through the use of these tools and techniques helps to greatly reinforce the confidence in your predictions.

Implementation: Define a Performance Metric

It is difficult to measure the quality of a given model without quantifying its performance over training and testing. This is typically done using some type of performance metric, whether it is through calculating some type of error, the goodness of fit, or some other useful measurement. For this project, you will be calculating the coefficient of determination, R2, to quantify your model's performance. The coefficient of determination for a model is a useful statistic in regression analysis, as it often describes how "good" that model is at making predictions.

The values for R2 range from 0 to 1, which captures the percentage of squared correlation between the predicted and actual values of the target variable. A model with an R2 of 0 is no better than a model that always predicts the mean of the target variable, whereas a model with an R2 of 1 perfectly predicts the target variable. Any value between 0 and 1 indicates what percentage of the target variable, using this model, can be explained by the features. A model can be given a negative R2 as well, which indicates that the model is arbitrarily worse than one that always predicts the mean of the target variable.

For the performance_metric function in the code cell below, you will need to implement the following:

  • Use r2_score from sklearn.metrics to perform a performance calculation between y_true and y_predict.
  • Assign the performance score to the score variable.

In [3]:
# TODO: Import 'r2_score'
from sklearn.metrics import r2_score

def performance_metric(y_true, y_predict):
    """ Calculates and returns the performance score between 
        true and predicted values based on the metric chosen. """
    
    # TODO: Calculate the performance score between 'y_true' and 'y_predict'
    score = r2_score(y_true, y_predict)
    
    # Return the score
    return score

Question 2 - Goodness of Fit

Assume that a dataset contains five data points and a model made the following predictions for the target variable:

True Value Prediction
3.0 2.5
-0.5 0.0
2.0 2.1
7.0 7.8
4.2 5.3

Would you consider this model to have successfully captured the variation of the target variable? Why or why not?

Run the code cell below to use the performance_metric function and calculate this model's coefficient of determination.


In [4]:
# Calculate the performance of this model
score = performance_metric([3, -0.5, 2, 7, 4.2], [2.5, 0.0, 2.1, 7.8, 5.3])
print "Model has a coefficient of determination, R^2, of {:.3f}.".format(score)


Model has a coefficient of determination, R^2, of 0.923.

Answer: Yes, I would consider this to model to have successfully captured the variation of the target variable because it has an R^2 score of 0.923, which is very high. According to Stattrek, this suggests that 92.3% of the variance in the target variable is successfully captured by the independent variables.

Implementation: Shuffle and Split Data

Your next implementation requires that you take the Boston housing dataset and split the data into training and testing subsets. Typically, the data is also shuffled into a random order when creating the training and testing subsets to remove any bias in the ordering of the dataset.

For the code cell below, you will need to implement the following:

  • Use train_test_split from sklearn.cross_validation to shuffle and split the features and prices data into training and testing sets.
    • Split the data into 80% training and 20% testing.
    • Set the random_state for train_test_split to a value of your choice. This ensures results are consistent.
  • Assign the train and testing splits to X_train, X_test, y_train, and y_test.

In [5]:
# TODO: Import 'train_test_split'
from sklearn.cross_validation import train_test_split

# TODO: Shuffle and split the data into training and testing subsets
X_train, X_test, y_train, y_test = train_test_split(features, prices, test_size=0.2, random_state=153)

# Success
print "Training and testing split was successful."


Training and testing split was successful.

Question 3 - Training and Testing

What is the benefit to splitting a dataset into some ratio of training and testing subsets for a learning algorithm?
Hint: What could go wrong with not having a way to test your model?

Answer: Splitting the dataset allows us to have some data (in the testing subset) for validating the model we obtained via training on the training subset. If we don't do this, we could possibly overfit our model to the entire data which would fail miserably once in production.


Analyzing Model Performance

In this third section of the project, you'll take a look at several models' learning and testing performances on various subsets of training data. Additionally, you'll investigate one particular algorithm with an increasing 'max_depth' parameter on the full training set to observe how model complexity affects performance. Graphing your model's performance based on varying criteria can be beneficial in the analysis process, such as visualizing behavior that may not have been apparent from the results alone.

Learning Curves

The following code cell produces four graphs for a decision tree model with different maximum depths. Each graph visualizes the learning curves of the model for both training and testing as the size of the training set is increased. Note that the shaded region of a learning curve denotes the uncertainty of that curve (measured as the standard deviation). The model is scored on both the training and testing sets using R2, the coefficient of determination.

Run the code cell below and use these graphs to answer the following question.


In [6]:
# Produce learning curves for varying training set sizes and maximum depths
vs.ModelLearning(features, prices)


Question 4 - Learning the Data

Choose one of the graphs above and state the maximum depth for the model. What happens to the score of the training curve as more training points are added? What about the testing curve? Would having more training points benefit the model?
Hint: Are the learning curves converging to particular scores?

Answer: I choose the graph with a max depth of 3.

  • The score for the training curve decreases before flattening out as more points are added.
  • The score for the testing curve increases before flattening out as more points are added
  • The two curves converge around 0.75-0.8. Adding more training points almost always benefits the model, however, the gain (past 150-200 training points) is relatively small as the curves seem to converge relatively quickly (with a high score as well) compared to the other depths.

Complexity Curves

The following code cell produces a graph for a decision tree model that has been trained and validated on the training data using different maximum depths. The graph produces two complexity curves — one for training and one for validation. Similar to the learning curves, the shaded regions of both the complexity curves denote the uncertainty in those curves, and the model is scored on both the training and validation sets using the performance_metric function.

Run the code cell below and use this graph to answer the following two questions.


In [7]:
vs.ModelComplexity(X_train, y_train)


Question 5 - Bias-Variance Tradeoff

When the model is trained with a maximum depth of 1, does the model suffer from high bias or from high variance? How about when the model is trained with a maximum depth of 10? What visual cues in the graph justify your conclusions?
Hint: How do you know when a model is suffering from high bias or high variance?

Answer:

  1. When the model is trained with a maximum depth of 1, it suffers from high bias. This is intuitive since high bias suggests a simple model (a decision tree w/ depth of 1 is very simple) and underfitting. Graphically, we can see that for a depth of 1, the R^2 score is at its lowest, which suggests high bias.
  2. When the model is trained with a maximum depth of 10, it suffers from high variance. This is intuitive since high variance suggests a very complex model and overfitting. Graphically, we can see that for a depth of 10, the difference between the training and validation score is very high. Furthermore, the training score is very high (close to 1), which suggests that the model is overfitting on the training data, and consequently suffering when run against the test set.

Question 6 - Best-Guess Optimal Model

Which maximum depth do you think results in a model that best generalizes to unseen data? What intuition lead you to this answer?

Answer: I think a model with a max depth of 3-4 best generalizes to unseen data. Both 3 and 4 have good R^2 scores (around 0.8) and the difference between the training and validation scores is not that large. Increasing the depth any further will cause the model to have too much variance, and decreasing the depth will cause the model to have too much bias. If I had to choose just one though, I would choose 4 since the R^2 scores are better for both the training and testing set.


Evaluating Model Performance

In this final section of the project, you will construct a model and make a prediction on the client's feature set using an optimized model from fit_model.

What is the grid search technique and how it can be applied to optimize a learning algorithm?

Answer: The grid search technique is an exhaustive searching algorithm that can be used to tune the hyperparameters of a learning algorithm. The grid search algorithm takes a set of hyperparameters (and their values) that should be tuned and iteratively trains a model using all possible combinations of the hyperparameters, tests each one against a test set and then evaluates it against some metric. Finally, it outputs the hyperparameters with the highest score

Question 8 - Cross-Validation

What is the k-fold cross-validation training technique? What benefit does this technique provide for grid search when optimizing a model?
Hint: Much like the reasoning behind having a testing set, what could go wrong with using grid search without a cross-validated set?

Answer: The k-fold cross-validation training technique is an algorithm for cross validation where the initial dataset is divided into k equal subsets. The model is then trained against k-1 subsets and tested against the remaining subset. This process is repeated k times with the testing set changing in each set. The final results can then be obtained by averaging the k results. The main benefit of this technique is that every datapoint is used for both training and testing at some point in the process and can help prevent scenarios where a set of hyperparameters is 'unlucky' in how the test and training set was split, resulting in a lower than usual score. Grid search may then return a suboptimal set of hyperparameters.

Implementation: Fitting a Model

Your final implementation requires that you bring everything together and train a model using the decision tree algorithm. To ensure that you are producing an optimized model, you will train the model using the grid search technique to optimize the 'max_depth' parameter for the decision tree. The 'max_depth' parameter can be thought of as how many questions the decision tree algorithm is allowed to ask about the data before making a prediction. Decision trees are part of a class of algorithms called supervised learning algorithms.

In addition, you will find your implementation is using ShuffleSplit() for an alternative form of cross-validation (see the 'cv_sets' variable). While it is not the K-Fold cross-validation technique you describe in Question 8, this type of cross-validation technique is just as useful!. The ShuffleSplit() implementation below will create 10 ('n_splits') shuffled sets, and for each shuffle, 20% ('test_size') of the data will be used as the validation set. While you're working on your implementation, think about the contrasts and similarities it has to the K-fold cross-validation technique.

Please note that ShuffleSplit has different parameters in scikit-learn versions 0.17 and 0.18. For the fit_model function in the code cell below, you will need to implement the following:

  • Use DecisionTreeRegressor from sklearn.tree to create a decision tree regressor object.
    • Assign this object to the 'regressor' variable.
  • Create a dictionary for 'max_depth' with the values from 1 to 10, and assign this to the 'params' variable.
  • Use make_scorer from sklearn.metrics to create a scoring function object.
    • Pass the performance_metric function as a parameter to the object.
    • Assign this scoring function to the 'scoring_fnc' variable.
  • Use GridSearchCV from sklearn.grid_search to create a grid search object.
    • Pass the variables 'regressor', 'params', 'scoring_fnc', and 'cv_sets' as parameters to the object.
    • Assign the GridSearchCV object to the 'grid' variable.

In [23]:
# TODO: Import 'make_scorer', 'DecisionTreeRegressor', and 'GridSearchCV'
from sklearn.tree import DecisionTreeRegressor
from sklearn.metrics import make_scorer
from sklearn.grid_search import GridSearchCV

def fit_model(X, y):
    """ Performs grid search over the 'max_depth' parameter for a 
        decision tree regressor trained on the input data [X, y]. """
    
    # Create cross-validation sets from the training data
    # sklearn version 0.18: ShuffleSplit(n_splits=10, test_size=0.1, train_size=None, random_state=None)
    # sklearn versiin 0.17: ShuffleSplit(n, n_iter=10, test_size=0.1, train_size=None, random_state=None)
#     cv_sets = ShuffleSplit(X.shape[0], n_splits = 10, test_size = 0.20, random_state = 0)
    cv_sets = ShuffleSplit(X.shape[0], n_iter = 10, test_size = 0.2, random_state = 0)

    # TODO: Create a decision tree regressor object
    regressor = DecisionTreeRegressor()

    # TODO: Create a dictionary for the parameter 'max_depth' with a range from 1 to 10
    params = {'max_depth': [i for i in range(1,11)]}

    # TODO: Transform 'performance_metric' into a scoring function using 'make_scorer' 
    scoring_fnc = make_scorer(performance_metric)

    # TODO: Create the grid search object
    # Note: Original submission used the default cv (3-fold) and so some of the answers below have been adjusted.
    # I have retained the original answer for comparison
    grid = GridSearchCV(regressor, params, scoring=scoring_fnc, cv=cv_sets)

    # Fit the grid search object to the data to compute the optimal model
    grid = grid.fit(X, y)

    # Return the optimal model after fitting the data
    return grid.best_estimator_

Making Predictions

Once a model has been trained on a given set of data, it can now be used to make predictions on new sets of input data. In the case of a decision tree regressor, the model has learned what the best questions to ask about the input data are, and can respond with a prediction for the target variable. You can use these predictions to gain information about data where the value of the target variable is unknown — such as data the model was not trained on.

Question 9 - Optimal Model

What maximum depth does the optimal model have? How does this result compare to your guess in Question 6?

Run the code block below to fit the decision tree regressor to the training data and produce an optimal model.


In [24]:
# Fit the training data to the model using grid search
reg = fit_model(X_train, y_train)

# Produce the value for 'max_depth'
print "Parameter 'max_depth' is {} for the optimal model.".format(reg.get_params()['max_depth'])


Parameter 'max_depth' is 5 for the optimal model.

Answer:

Original submission The optimal model has a maximum depth of 4. This is in line with my guess from Question 6.

Correction from first submission: Adding cv=cv_sets changed the optimal maximum depth from 4 to 5. This seems to be because the default implementation uses 3-fold cv, while cv_sets is generated using ShuffleSplit. This discrepency can be attributed to the way the cross validation sets are generated, as well as their size (3-fold will have 3 iterations of 66% training data and 33% validation data, whereas our implementation of ShuffleSplit will have 10 iterations of 80% training data and 20% validation data) This result suggests a slightly more complex model than my guess from Question 6, but it is not too far off.

Question 10 - Predicting Selling Prices

Imagine that you were a real estate agent in the Boston area looking to use this model to help price homes owned by your clients that they wish to sell. You have collected the following information from three of your clients:

Feature Client 1 Client 2 Client 3
Total number of rooms in home 5 rooms 4 rooms 8 rooms
Neighborhood poverty level (as %) 17% 32% 3%
Student-teacher ratio of nearby schools 15-to-1 22-to-1 12-to-1

What price would you recommend each client sell his/her home at? Do these prices seem reasonable given the values for the respective features?
Hint: Use the statistics you calculated in the Data Exploration section to help justify your response.

Run the code block below to have your optimized model make predictions for each client's home.


In [25]:
# Produce a matrix for client data
client_data = [[5, 17, 15], # Client 1
               [4, 32, 22], # Client 2
               [8, 3, 12]]  # Client 3

# Show predictions
for i, price in enumerate(reg.predict(client_data)):
    print "Predicted selling price for Client {}'s home: ${:,.2f}".format(i+1, price)


Predicted selling price for Client 1's home: $417,690.00
Predicted selling price for Client 2's home: $196,500.00
Predicted selling price for Client 3's home: $866,775.00

Answer: The recommended sales prices are:

Client # Original Submission values (k-fold) ShuffleSplit submission values
Client 1 \$409,13.64 \$417,690.00
Client 2 \$219,450.00 \$196,500.00
Client 3 \$936,790.91 \$866,775.00

These prices seem reasonable. Based on the data exploration, more rooms, a lower neighborhood poverty level and a lower student teacher ratio raises the price of the home. Coincidentally, all 3 features of client 2 is worse than client 1 who is worse than client 3, so it should be expected that the price of client 2's home should be the lowest, client 1 in the middle, and client 3's the highest.

Additionally, by checking the mean values for each of the 3 features in our dataset, we can see that the mean values are as follows:

  • RM = ~6
  • LSTAT = ~13%
  • PTRATIO = 18-19:1

Therefore:

  • Client 2 is well below all of these values.
  • Client 1 is a bit better in terms of LSTAT, but is a bit lacking in terms of RM and PTRATIO which explains why the price is a bit below the mean.
  • Client 3 is well above all of these values (although $936k is approaching the maximum value in the dataset)

Second submission: It looks like the values are still around the same range so my previous analysis stands.

Sensitivity

An optimal model is not necessarily a robust model. Sometimes, a model is either too complex or too simple to sufficiently generalize to new data. Sometimes, a model could use a learning algorithm that is not appropriate for the structure of the data given. Other times, the data itself could be too noisy or contain too few samples to allow a model to adequately capture the target variable — i.e., the model is underfitted. Run the code cell below to run the fit_model function ten times with different training and testing sets to see how the prediction for a specific client changes with the data it's trained on.


In [26]:
vs.PredictTrials(features, prices, fit_model, client_data)


Trial 1: $391,183.33
Trial 2: $424,935.00
Trial 3: $415,800.00
Trial 4: $420,622.22
Trial 5: $418,377.27
Trial 6: $411,931.58
Trial 7: $399,663.16
Trial 8: $407,232.00
Trial 9: $351,577.61
Trial 10: $413,700.00

Range in prices: $73,357.39

Question 11 - Applicability

In a few sentences, discuss whether the constructed model should or should not be used in a real-world setting.
Hint: Some questions to answering:

  • How relevant today is data that was collected from 1978?
  • Are the features present in the data sufficient to describe a home?
  • Is the model robust enough to make consistent predictions?
  • Would data collected in an urban city like Boston be applicable in a rural city?

Answer: How relevant today is data that was collected from 1978? The data is likely out of date because Boston has likely grown larger since then. Neighborhood poverty levels may no longer be the same, some of those houses may no longer even exist (replaced by malls/parks etc.), or may not be around a school. The PTRATIO is also likely completely wrong (assuming the school exists) the population size likely went up, there may be more or less teachers in certain neighborhoods, there may be multiple schools, etc.

Are the features present in the data sufficient to describe a home? No. There are many features that buyers are interested in that would be very useful in describing a home. Some examples:

  • Size (sq ft.)
  • Num Bathrooms
  • Local transit options
  • Local leisure activities (malls, theaters, restaurants, gas stations even)
  • Distance to work
  • Inspection was done

Is the model robust enough to make consistent predictions? Based on the sensitivity test, I would argue the model is not robust enough. In the 10 runs, there was a range of \$28,652.84. This is a large chunk of change (you could buy a car with this much money) and I think the model could be improved to create more consistent predictions. ***Second submission edit: *** The sensitivity has drastically changed (with the range of values increasing to \$73,357.39). This model generated using hyperparameters from ShuffleSplit is even less robust than the one generated using 3-fold CV (depth of 5 vs depth of 4)

Would data collected in an urban city like Boston be applicable in a rural city? I would argue no. The size of houses in rural cities are much larger for the same price point. The PTRATIO may also differ significantly since rural cities may have much larger communities (and a smaller number of them)

Note: Once you have completed all of the code implementations and successfully answered each question above, you may finalize your work by exporting the iPython Notebook as an HTML document. You can do this by using the menu above and navigating to
File -> Download as -> HTML (.html). Include the finished document along with this notebook as your submission.