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assignments:assignment3 [CS545 fall 2016]

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assignments:assignment3 [2015/10/02 09:42]
asa
assignments:assignment3 [2016/09/15 14:49]
asa [Submission]
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-========= Assignment 3: Support Vector Machines ============+~~NOTOC~~
  
-Due:  October 20th at 6pm+====== Assignment 3 ======
  
-===== Part 1 SVM with no bias term =====+**Due:** 10/2 at 11pm.
  
-Formulate a soft-margin SVM without the bias term, i.e. one where the discriminant function is equal to $\mathbf{w}^{T} \mathbf{x}$. +===== Preliminaries =====
-Derive the saddle point conditions, KKT conditions and the dual. +
-Compare it to the standard SVM formulation. +
-As we discussed in class, SMO-type algorithms for the dual optimize the smallest number of variables at a time, which is two variables. +
-Is this still the case for the formulation you have derived? +
-Hint:  consider the difference in the constraints.+
  
-===== Part 2 Soft-margin SVM for separable ​data =====+In this assignment you will explore ridge regression applied to the task of predicting wine quality. 
 +You will use the [[http://​archive.ics.uci.edu/​ml/​datasets/​Wine+Quality | wine quality]] dataset from the UCI machine learning repository, and compare accuracy obtained using ridge regression to the results from a [[http://​www.sciencedirect.com/​science/​article/​pii/​S0167923609001377#​ | recent publication]] (if you have trouble accessing that version of the paper, here's a link to a [[http://​www3.dsi.uminho.pt/​pcortez/​wine5.pdf| preprint]]. 
 +The wine data is composed of two datasets ​one for white wines, and one for reds.  In this assignment perform all your analyses on just the red wine data.
  
-Consider training a soft-margin SVM  +The features for the wine dataset are not standardized,​ so make sure you do this, especially since we are going to consider ​the magnitude ​of the weight vector ​(recall that standardization entails subtracting ​the mean and then dividing by the standard deviation for each feature; you can use the [[http://​docs.scipy.org/​doc/​numpy/​reference/​routines.statistics.html | Numpy statistics module]] ​to perform the required calculations).   
-with the soft margin constant $C$ set to some positive constant. Suppose the training data is linearly separable. +==== Part 1 ====
-Since increasing the $\xi_i$ can only increase ​the objective ​of the primal problem ​(which +
-we are trying to minimize), at the optimal solution to the primal problem, all the +
-training examples will have $\xi_i$ equal +
-to zeroTrue or false? ​ Explain! +
-Given a linearly separable dataset, is it necessarily better to use a +
-a hard margin SVM over a soft-margin SVM?  Explain!+
  
-===== Part 3 Using SVMs =====+Implement ridge regression keeping the same API you used in implementing the classifiers in assignment 2, and functions for computing the following measures of error:
  
-The data for this question comes from a database called SCOP (structural +  * The Root Mean Square Error (RMSE). 
-classification of proteins), which classifies proteins into classes +  ​The Maximum Absolute Deviation ​(MAD).
-according to their structure (download it from {{assignments:​scop_motif.data|here}}). ​  +
-The data is a two-class classification +
-problem +
-of distinguishing a particular class of proteins from a selection of +
-examples sampled from the rest of the SCOP database +
-using features derived from their sequence ​(note that a protein is an arbitrary length sequence over the alphabet of the 20 amino acids). +
-I chose to represent the proteins in +
-terms of their motif composition. ​ A sequence motif is a +
-pattern of amino acids that is conserved in evolution. +
-Motifs are usually associated with regions of the protein that are +
-important for its function, and are therefore useful in differentiating between classes of proteins. +
-A given protein will typically contain only a handful of motifs, and +
-so the data is very sparse. ​ It is also very high dimensional,​ since +
-the number of conserved patterns in the space of all proteins is +
-large. +
-The data was constructed as part of the following analysis of detecting distant relationships between proteins:+
  
-  * A. Ben-Hur and D. Brutlag. [[http://​bioinformatics.oxfordjournals.org/​content/​19/​suppl_1/​i26.abstract | Remote homology detection: a motif based approach]]. In: Proceedings,​ eleventh international conference on intelligent systems for molecular biology. Bioinformatics 19(Suppl. 1): i26-i33, 2003. 
  
-In this part of the assignment we will explore the dependence of classifier accuracy on  +For a hypothesis $h$they are defined as follows:
-the kernelkernel parameters, kernel normalization,​ and the SVM soft-margin parameter. +
-In your implementation you can use the scikit-learn [[http://​scikit-learn.org/​stable/​modules/​generated/​sklearn.svm.SVC.html | svm]] class.+
  
-In this question we will consider both the Gaussian and polynomial kernels: +$$RMSE(h) = \sqrt{\frac{1}{N}\sum_{i=1}^N (y_i - h(\mathbf{x}_i))^2}$$
-$$ +
-K_{gauss}(\mathbf{x}, \mathbf{x'​}) = \exp(-\gamma || \mathbf{x} - \mathbf{x}' ||^2) +
-$$ +
-$$ +
-K_{poly}(\mathbf{x}, \mathbf{x'​}) ​(\mathbf{x}^\mathbf{x}' + 1) ^{p} +
-$$+
  
-Plot the accuracy of the SVM, measured using the area under the ROC curve +and
-as a function of both the soft-margin parameter of the SVM, and the free parameter +
-of the kernel function. +
-Accuracy should be measured in five-fold cross-validation. +
-Show a couple of representative cross sections of this plot for a given value +
-of the soft margin parameter, and for a given value of the kernel parameter. +
-Comment on the results. ​ When exploring the values of a continuous +
-classifier/​kernel parameter it is +
-useful to use values that are distributed on an exponential grid, +
-i.e. something like 0.01, 0.1, 1, 10, 100 (note that the degree of the +
-polynomial kernel is not such a parameter).+
  
-Next, we will compare the accuracy of an SVM with a Gaussian kernel on the raw data with accuracy obtained when the data is normalized to be unit vectors ​(the values of the features of each example are divided by its norm)+$$MAD(h= \frac{1}{N}\sum_{i=1}^N |y_i h(\mathbf{x}_i)|.$$
-This is different than standardization which operates at the level of individual features. ​ Normalizing to unit vectors is more appropriate for this dataset as it is sparse, ​i.e. most of the features are zero. +
-Perform your comparison by comparing the accuracy measured by the area under the ROC curve in five-fold cross validation. +
-The optimal values of kernel parameters should be measured by cross-validation,​ where the optimal SVM/kernel parameters are chosen using grid search on the training set of each fold. +
-Use the scikit-learn [[http://​scikit-learn.org/​stable/​tutorial/​statistical_inference/​model_selection.html +
- grid-search]] class for model selection.+
  
 +With the code you just implemented,​ your next task is to explore the dependence of error on the value of the regularization parameter, $\lambda$.
 +In what follows set aside 30% of the data as a test-set, and compute the in-sample error, and the test-set error as a function of the parameter $\lambda$ on the red wine data.  Choose the values of $\lambda$ on a logarithmic scale with values 0.01, 0.1, 1, 10, 100, 1000 and plot the RMSE only.
 +Repeat the same experiment where instead of using all the training data, choose 20 random training examples.
  
-Finally, ​visualize ​the kernel matrix associated ​with the dataset+Now answer the following:​ 
-Explain ​the structure ​that you are seeing ​in the plot (it is more + 
-interesting when the data is normalized).+  * What is the optimal value of $\lambda$?​ 
 +  * What observations can you make on the basis of these plots? ​ (The concepts of overfitting/​underfitting should be addressed in your answer). 
 +  * Finally, ​compare ​the results that you are getting ​with the published results in the paper linked above In particular, is the performance you have obtained is comparable to that observed in the paper? 
 + 
 +==== Part 2 ==== 
 + 
 +Regression Error Characteristic (REC) curves are an interesting way of visualizing regression error as described 
 +in the following [[http://​machinelearning.wustl.edu/​mlpapers/​paper_files/​icml2003_BiB03.pdf|paper]]. 
 +Write a function ​that plots the REC curve of a regression method, and plot the REC curve of the best regressor ​you found in Part 1 of the assignment. 
 +What can you learn from this curve that you cannot learn from an error measure such as RMSE or MAD? 
 + 
 + 
 +==== Part 3 ==== 
 + 
 +As we discussed in class, the magnitude of the weight vector can be interpreted as a measure of feature importance. 
 +Train a ridge regression classifier on a subset of the dataset that you reserved for training. 
 +We will explore the relationship between the magnitude of weight vector components and their relevance to the classification task in several ways. 
 +Each feature is associated with a component of the weight vector. ​ It can also be associated with the correlation of that feature with the vector of labels. 
 +Create a scatter ​plot of the weight vector component against the [[https://​en.wikipedia.org/​wiki/​Pearson_product-moment_correlation_coefficient | Pearson correlation coefficient]] of a feature against the labels ​(again, you can use the [[http://​docs.scipy.org/​doc/​numpy/​reference/​routines.statistics.html | Numpy statistics module]] to compute ​it). 
 +What can you conclude from this plot? 
 +The paper ranks features according to their importance using a different approach. ​ Compare your results with what they obtain. 
 + 
 +Next, perform ​the following experiment:​ 
 +Incrementally remove the feature with the lowest absolute value of the weight vector and retrain the ridge regression classifier. 
 +Plot RMSE as a function of the number of features that remain on the test set which you have set aside.
  
 ===== Submission ===== ===== Submission =====
  
-Submit your report via C.  Python code can be displayed in your report if it is succinct (not more than a page or two at the most) or submitted separately The latex sample document shows how to display Python code in a latex document. +Submit your report via Canvas.  Python code can be displayed in your report if it is short, and helps understand what you have done. The sample ​LaTex document ​provided in assignment 1 shows how to display Python code.  ​Submit the Python code that was used to generate the results ​as a file called ''​assignment3.py''​ (you can split the code into several .py files; Canvas allows you to submit multiple files).  ​Typing  
-Also, please check-in a text file named README that describes what you found most difficult in completing this assignment (or provide ​that as a comment on ramct).+ 
 +<​code>​ 
 +$ python assignment3.py 
 +</​code>​ 
 +should generate all the tables/​plots used in your report. ​  
 + 
  
 ===== Grading ===== ===== Grading =====
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 Here is what the grade sheet will look like for this assignment. ​ A few general guidelines for this and future assignments in the course: Here is what the grade sheet will look like for this assignment. ​ A few general guidelines for this and future assignments in the course:
  
-  * Always provide a description of the method you used to produce a given result in sufficient detail such that the reader can reproduce your results on the basis of the description.  ​You can use a few lines of python code or pseudo-code.  If your code is more than a few lines, you can include it as an appendix to your report.  For examplefor the first part of the assignment, provide the protocol you use to evaluate classifier accuracy+  * Always provide a description of the method you used to produce a given result in sufficient detail such that the reader can reproduce your results on the basis of the description ​(UNLESS the method has been provided in class or is there in the book).  ​Your code needs to be provided in sufficient detail so we can make sure that your implementation is correct. ​ The saying that "the devil is in the details"​ holds true for machine learning, and is sometimes the makes the difference between correct and incorrect results.  If your code is more than a few lines, you can include it as an appendix to your report, ​or submit it as a separate file Make sure your code is readable! 
-  * You can provide results in the form of tables, figures or text - whatever form is most appropriate for a given problem.  There are no rules about how much space each answer should take.  BUT we will take off points if we have to wade through a lot of redundant data.+  * You can provide results in the form of tables, figures or text - whatever form is most appropriate for a given problem.
   * In any machine learning paper there is a discussion of the results. ​ There is a similar expectation from your assignments that you reason about your results. ​ For example, for the learning curve problem, what can you say on the basis of the observed learning curve?   * In any machine learning paper there is a discussion of the results. ​ There is a similar expectation from your assignments that you reason about your results. ​ For example, for the learning curve problem, what can you say on the basis of the observed learning curve?
 +  * Write succinct answers. ​ We will take off points for rambling answers that are not to the point, and and similarly, if we have to wade through a lot of data/​results that are not to the point.
  
 <​code>​ <​code>​
 Grading sheet for assignment 2 Grading sheet for assignment 2
  
-Part 1:  ​30 points. +Part 1:  ​50 points. 
-(10 points):  ​Lagrangian found correctly +(20 points):  ​Plots of MAD and RMSE as a function of lambda are generated ​correctly. 
-points):  ​Derivation of saddle point equations +(20 points):  ​REC curves are generated correctly 
-(10 points):  ​Derivation ​of the dual +points):  ​discussion ​of REC curves 
-( 5 points): ​ Discussion of the implication ​of the form of the dual for SMO-like algorithms+( 5 points): ​ Discussion of the MAD and RMSE plots and comparison ​of results to the published ones.
  
-Part 2:  ​15 points.+Part 2:  ​40 points. 
 +(30 points): ​ Weight vector analysis 
 +(10 points): ​ Comparison to the published results
  
-Part 3:  15 points. +Report structure, grammar and spelling:  ​10 points 
- +(10 points): ​ Heading and subheading structure easy to follow and clearly divides report into logical sections. ​  
-Part 1:  40 points. +              Code, math, figure captions, and all other aspects of the report are well-written and formatted. 
-(25 points): ​ Accuracy as a function of parameters and discussion of the results +              Grammar, spelling, and punctuation.
-(10 points): ​ Comparison of normalized and non-normalized results +
-( 5 points): ​ Visualization of the kernel matrix and observations made about it +
- +
-Report structure, grammar and spelling:  ​15 points +
-points): ​ Heading and subheading structure easy to follow and +
-              ​clearly divides report into logical sections. +
-( 5 points):  ​Code, math, figure captions, and all other aspects of   +
-              ​report are well-written and formatted. +
-( 5 points):  ​Grammar, spelling, and punctuation.+
 </​code>​ </​code>​
 +
assignments/assignment3.txt · Last modified: 2016/09/20 09:34 by asa