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    <article-meta>
      <title-group>
        <article-title>Model Selection in Data Analysis Competitions</article-title>
      </title-group>
      <contrib-group>
        <contrib contrib-type="author">
          <string-name>David Kofoed Wind</string-name>
        </contrib>
        <contrib contrib-type="author">
          <string-name>Ole Winther</string-name>
        </contrib>
      </contrib-group>
      <abstract>
        <p>The use of data analysis competitions for selecting the most appropriate model for a problem is a recent innovation in the field of predictive machine learning. Two of the most well-known examples of this trend was the Netflix Competition and recently the competitions hosted on the online platform Kaggle. In this paper, we will state and try to verify a set of qualitative hypotheses about predictive modelling, both in general and in the scope of data analysis competitions. To verify our hypotheses we will look at previous competitions and their outcomes, use qualitative interviews with top performers from Kaggle and use previous personal experiences from competing in Kaggle competitions. The stated hypotheses about feature engineering, ensembling, overfitting, model complexity and evaluation metrics give indications and guidelines on how to select a proper model for performing well in a competition on Kaggle. In recent years, the amount of available data has increased exponentially and “Big Data Analysis” is expected to be at the core of most future innovations [2, 4, 5]. A new and very promising trend in the field of predictive machine learning is the use of data analysis competitions for model selection. Due to the rapid development in the field of competitive data analysis, there is still a lack of consensus and literature on how one should approach predictive modelling competitions.</p>
      </abstract>
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  </front>
  <body>
    <sec id="sec-1">
      <title>-</title>
      <p>
        In his well-known paper “Statistical Modeling : The Two
Cultures” [
        <xref ref-type="bibr" rid="ref1">1</xref>
        ], Leo Breiman divides statistical modelling into two
cultures, the data modelling culture and the algorithmic modelling
culture. The arguments put forward in [
        <xref ref-type="bibr" rid="ref1">1</xref>
        ] justifies an approach
to predictive modelling where the focus is purely on predictive
accuracy. That this is the right way of looking at statistical modelling
is the underlying assumption in statistical prediction competitions,
and consequently also in this paper.
      </p>
      <p>The concept of machine learning competitions was made popular
with the Netflix Prize, a massive open competition with the aim
of constructing the best algorithm for predicting user ratings of
movies. The competition featured a prize of 1,000,000 dollars for
the first team to improve Netflix’s own results by 10% and multiple
teams achieved this goal. After the success with the Netflix Prize,
the website Kaggle was born, providing a platform for predictive
modelling. Kaggle hosts numerous data prediction competitions and
has more than 170,000 users worldwide.
The basic structure of a predictive modelling competition – as
seen for example on Kaggle and in the Netflix competition – is the
following: A predictive problem is described, and the participants
are given a dataset with a number of samples and the true target
values (the values to predict) for each sample given, this is called the
training set. The participants are also given another dataset like the
training set, but where the target values are not known, this is called
the test set. The task of the participants is to predict the correct target
values for the test set, using the training set to build their models.
When participants have a set of proposed predictions for the test
set, they can submit these to a website, which will then evaluate
the submission on a part of the test set known as the quiz set, the
validation set or simply as the public part of the test set. The result
of this evaluation on the quiz set is shown in a leaderboard giving
the participants an idea of how they are progressing.</p>
      <p>Using a competitive approach to predictive modelling is being
praised by some as the modern way to do science:</p>
      <p>
        Kaggle recently hosted a bioinformatics contest, which
required participants to pick markers in a series of HIV genetic
sequences that correlate with a change in viral load (a measure
of the severity of infection). Within a week and a half, the
best submission had already outdone the best methods in the
scientific literature. [
        <xref ref-type="bibr" rid="ref3">3</xref>
        ]
      </p>
      <p>(Anthony Goldbloom, Founder and CEO at Kaggle)</p>
      <p>
        These prediction contests are changing the landscape for
researchers in my area an area that focuses on making good
predictions from finite (albeit sometimes large) amount of data.
In my personal opinion, they are creating a new paradigm
with distinctive advantages over how research is traditionally
conducted in our field. [
        <xref ref-type="bibr" rid="ref6">6</xref>
        ]
      </p>
      <p>
        (Mu Zhu, Associate Professor, University of Waterloo)
This competitive approach is interesting and seems fruitful –
one can even see it as an extension of the aggregation ideas put
forward in [
        <xref ref-type="bibr" rid="ref1">1</xref>
        ] in the sense that the winning model is simply the
model with the best accuracy, not taking computational efficiency
or interpretability into account. Still one could ask if the framework
provided by for example Kaggle gives a trustworthy resemblance of
real-world predictive modelling problems where problems do not
come with a quiz set and a leaderboard.
      </p>
      <p>In this paper we state five hypotheses about building and selecting
models for competitive data analysis. To verify these hypotheses we
will look at previous competitions and their outcomes, use qualitative
interviews with top performers from Kaggle and use previous
personal experiences from competing in Kaggle competitions.
In this section we will shortly describe the data we are using. We will
list the people whom we interviewed and name the previous Kaggle
competition we are using for empirical data.
2.1</p>
    </sec>
    <sec id="sec-2">
      <title>Interviews</title>
      <p>To help answer the questions we are stating, we have asked a series
of questions to some of the best Kaggle participants throughout time.
We have talked (by e-mail) with the following participants (name,
Kaggle username, current rank on Kaggle):
• Steve Donoho (BreakfastPirate #2)
• Lucas Eustaquio (Leustagos #6)
• Josef Feigl (Josef Feigl #7)
• Zhao Xing (xing zhao #10)
• Anil Thomas (Anil Thomas #11)
• Luca Massaron (Luca Massaron #13)
• Ga´bor Taka´cs (Ga´bor Taka´cs #20)
• Tim Salimans (Tim Salimans #48)
Answers and parts of answers to our questions are included in this
paper as quotes when relevant.
2.2</p>
    </sec>
    <sec id="sec-3">
      <title>Previous competitions</title>
      <p>Besides the qualitative interviews with Kaggle masters, we also
looked at 10 previous Kaggle competitions, namely the following:
• Facebook Recruiting III - Keyword Extraction
• Partly Sunny with a Chance of Hashtags
• See Click Predict Fix
• Multi-label Bird Species Classification - NIPS 2013
• Accelerometer Biometric Competition
• AMS 2013-2014 Solar Energy Prediction Contest
• StumbleUpon Evergreen Classification Challenge
• Belkin Energy Disaggregation Competition
• The Big Data Combine Engineered by BattleFin
• Cause-effect pairs
These competitions were selected as 10 consecutive competitions,
where we excluded a few competitions which did not fit the standard
framework of statistical data analysis (for example challenges in
optimization and operations research).</p>
      <p>Throughout this paper, these competitions are referenced with
the following abbreviated names: FACEBOOK, SUNNYHASHTAGS,
SEECLICKPREDICT, BIRD, ACCELEROMETER, SOLARENERGY,
STUMBLEUPON, BELKIN, BIGDATA and CAUSEEFFECT.
3</p>
    </sec>
    <sec id="sec-4">
      <title>Hypotheses</title>
      <p>In this section we state 5 hypotheses about predictive modelling
in a competitive framework. We will try to verify the validity of
each hypothesis using a combination of mathematical arguments,
empirical evidence from previous competitions and qualitative
interviews we did with some of the top participants at Kaggle. The
five hypotheses to be investigated are:
1. Feature engineering is the most important part of predictive
machine learning
2. Overfitting to the leaderboard is a real issue
3. Simple models can get you very far
4. Ensembling is a winning strategy
5. Predicting the right thing is important
3.1</p>
    </sec>
    <sec id="sec-5">
      <title>Feature engineering is the most important part</title>
      <p>With the extensive amount of free tools and libraries available
for data analysis, everybody has the possibility of trying advanced
statistical models in a competition. As a consequence of this, what
gives you most “bang for the buck” is rarely the statistical method
you apply, but rather the features you apply it to. By feature
engineering, we mean using domain specific knowledge or automatic
methods for generating, extracting, removing or altering features in
the data set.</p>
      <p>For most Kaggle competitions the most important part is
feature engineering, which is pretty easy to learn how to do.
(Tim Salimans)</p>
      <p>The features you use influence more than everything
else the result. No algorithm alone, to my knowledge, can
supplement the information gain given by correct feature
engineering. (Luca Massaron)</p>
      <p>Feature engineering is certainly one of the most important
aspects in Kaggle competitions and it is the part where one
should spend the most time on. There are often some hidden
features in the data which can improve your performance by a
lot and if you want to get a good place on the leaderboard you
have to find them. If you screw up here you mostly can’t win
anymore; there is always one guy who finds all the secrets.</p>
      <p>However, there are also other important parts, like how you
formulate the problem. Will you use a regression model or
classification model or even combine both or is some kind of
ranking needed. This, and feature engineering, are crucial to
achieve a good result in those competitions.</p>
      <p>There are also some competitions were (manual) feature
engineering is not needed anymore; like in image processing
competitions. Current state of the art deep learning algorithms
can do that for you. (Josef Feigl)
There are some specific types of data which have previously
required a larger amount of feature engineering, namely text data
and image data. In many of the previous competitions with text
and image data, feature engineering was a huge part of the winning
solutions (examples of this are for example SUNNYHASHTAGS,
FACEBOOK, SEECLICKPREDICT and BIRD). At the same time
(perhaps due to the amount of work needed to do good feature
engineering here) deep learning approaches to automatic feature
extraction have gained popularity.</p>
      <p>In the competition SUNNYHASHTAGS which featured text data
taken from Twitter, feature engineering was a major part of the
winning solution. The winning solution used a simple regularized
regression model, but generated a lot of features from the text:</p>
      <p>My set of features included the basic tfidf of 1,2,3-grams
and 3,5,6,7 ngrams. I used a CMU Ark Twitter dedicated
tokenizer which is especially robust for processing tweets + it
tags the words with part-of-speech tags which can be useful
to derive additional features. Additionally, my base feature set
included features derived from sentiment dictionaries that map
each word to a positive/neutral/negative sentiment. I found this
helped to predict S categories by quite a bit. Finally, with Ridge
model I found that doing any feature selection was only hurting
the performance, so I ended up keeping all of the features ⇠ 1.9
mil. The training time for a single model was still reasonable.</p>
      <p>(aseveryn - 1st place winner)</p>
      <p>In the competitions which did not have text or image data, feature
engineering sometimes still played an important role in the winning
entries. An example of this is the CAUSEEFFECT competition,
where the winning entry created thousands of features, and then
used genetic algorithms to remove non-useful features again. On
the contrary, sometimes the winning solutions are those which go a
non-intuitive way and simply use a black-box approach. An example
of this is the SOLARENERGY competition where the Top-3 entries
almost did not use any feature engineering (even though this seemed
like the most intuitive approach for many) – and simply combined
the entire dataset into one big table and used a complex black-box
model.</p>
      <p>Having too many features (making the feature set overcomplete),
is not advisable either, since redundant or useless features tend to
reduce the model accuracy.
3.1.1</p>
      <p>Mathematical justification for feature engineering
When using simple models, it is often necessary to engineer new
features to capture the right trends in the data. The most common
example of this, is attempting to use a linear method to model
non-linear behaviour.</p>
      <p>To give a simple example of this, assume we want to predict the
price of a house H given the dimensions (length lH and width wH
of the floor plan) of the house. Assume also that the price p(H) can
be described as a linear function p(H) = ↵ aH + , where aH =
lH ·wH is the area. By fitting a linear regression model to the original
parameters lH , wH , we will not capture the quadratic trend in the
data. If we instead construct a new feature aH = lH · wH (the area),
for each data sample (house), and fit a linear regression model using
this new feature, then we will be able to capture the trend we are
looking for.
3.2</p>
    </sec>
    <sec id="sec-6">
      <title>Simple models can get you very far</title>
      <p>When looking through descriptions of people’s solutions after a
competition has ended, there is often a surprising number of very
simple solutions obtaining good results. What is also (initially)
surprising, is that the simplest approaches are often described by
some of the most prominent competitors.</p>
      <p>I think beginners sometimes just start to “throw” algorithms
at a problem without first getting to know the data. I also think
that beginners sometimes also go too-complex-too-soon. There
is a view among some people that you are smarter if you create
something really complex. I prefer to try out simpler. I “try” to
follow Albert Einsteins advice when he said, “Any intelligent
fool can make things bigger and more complex. It takes a touch
of genius – and a lot of courage – to move in the opposite
direction”. (Steve Donoho)</p>
      <p>My first few submissions are usually just “baseline”
submissions of extremely simple models – like “guess the
average” or “guess the average segmented by variable X”.
These are simply to establish what is possible with very simple
models. You’d be surprised that you can sometimes come very
close to the score of someone doing something very complex
by just using a simple model. (Steve Donoho)</p>
      <p>I think a simple model can make you top 10 in a Kaggle
competition. In order to get a money prize, you have to go to
ensembles most of time. (Zhao Xing)</p>
      <p>You can go very far [with simple models], if you use them
well, but likely you cannot win a competition by a simple model
alone. Simple models are easy to train and to understand and
they can provide you with more insight than more complex
black boxes. They are also easy to be modified and adapted
to different situations. They also force you to work more on
the data itself (feature engineering, data cleaning, missing data
estimation). On the other hand, being simple, they suffer from
high bias, so they likely cannot catch a complex mapping of
your unknown function. (Luca Massaron)
Simplicity can come in multiple forms, both regarding the
complexity of the model, but also regarding the pre-processing of the
data. In some competitions, regularized linear regression can be the
winning model in spite of its simplicity. In other cases, the winning
solutions are those who do almost no pre-processing of the data (as
seen in for example the SOLARENERGY competition).
3.3</p>
    </sec>
    <sec id="sec-7">
      <title>Ensembling is a winning strategy</title>
      <p>
        As described in [
        <xref ref-type="bibr" rid="ref1">1</xref>
        ], complex models and in particular models which
are combinations of many models should perform better when
measured on predictive accuracy. This hypothesis can be backed up
by looking at the winning solutions for the latest competitions on
Kaggle.
      </p>
      <p>If one considers the 10 Kaggle competitions mentioned in
Section 2.2 and look at which models the top participants used,
one finds that in 8 of the 10 competitions, model combination
and ensemble-models was a key part of the final submission. The
only two competitions where no ensembling was used by the top
participants were FACEBOOK and BELKIN, where a possible usage
of model combination was non-trivial and where the data sets were
of a size that favored simple models.</p>
      <p>No matter how faithful and well tuned your individual
models are, you are likely to improve the accuracy with
ensembling. Ensembling works best when the individual
models are less correlated. Throwing a multitude of mediocre
models into a blender can be counterproductive. Combining a
few well constructed models is likely to work better. Having
said that, it is also possible to overtune an individual model to
the detriment of the overall result. The tricky part is finding the
right balance. (Anil Thomas)
[The fact that most winning entries use ensembling] is
natural from a competitors perspective, but potentially very
hurtful for Kaggle/its clients: a solution consisting of an
ensemble of 1000 black box models does not give any insight
and will be extremely difficult to reproduce. This will not
translate to real business value for the comp organizers.
(Tim Salimans)</p>
      <p>I am a big believer in ensembles. They do improve
accuracy. BUT I usually do that as a very last step. I usually
try to squeeze all that I can out of creating derived variables
and using individual algorithms. After I feel like I have done
all that I can on that front, I try out ensembles.
(Steve Donoho)</p>
      <p>Ensembling is a no-brainer. You should do it in every
competition since it usually improves your score. However, for
me it is usually the last thing I do in a competition and I don’t
spend too much time on it. (Josef Feigl)
Besides the intuitive appeal of averaging models, one can justify
ensembling mathematically.
3.3.1</p>
      <p>
        Mathematical justification for ensembling
To justify ensembling mathematically, we refer to the approach of
[
        <xref ref-type="bibr" rid="ref7">7</xref>
        ]. They look at a one-of-K classification problem and model the
probability of input x belonging to class i as
      </p>
      <p>fi(x) = p(ci|x) + i + ⌘ i(x),
where p(ci|x) is an a posteriori probability distribution of the i-th
class given input x, where i is a bias for the i-th class (which is
independent of x) and where ⌘ i(x) is the error of the output for class
i.</p>
      <p>They then derive the following expression for how the added error
(the part of the error due to our model fit being wrong) changes when
averaging over the different models in the ensemble:</p>
      <p>Eaadvde = Eadd
✓ 1 + (N</p>
      <p>N
1) ◆
,
where is the average correlation between the models (weighted by
the prior probabilities of the different classes) and N is the number
of models trained.</p>
      <p>The important take-away from this result is that ensembling works
best if the models we combine have a low correlation. A key thing
to note though, is that low correlation between models in itself is not
enough to guarantee a lowering of the overall error. Ensembling as
described above is effective in lowering the variance of a model but
not in lowering the bias.
3.4</p>
    </sec>
    <sec id="sec-8">
      <title>Overfitting to the leaderboard is an issue</title>
      <p>During a competition on Kaggle, the participants have the possibility
of submitting their solutions (predictions on the public and private
test set) to a public leaderboard. By submitting a solution to the
leaderboard you get back an evaluation of your model on the
public-part of the test set. It is clear that obtaining evaluations from
the leaderboard gives you additional information/data, but it also
introduces the possibility of overfitting to the leaderboard-scores:</p>
      <p>The leaderboard definitely contains information. Especially
when the leaderboard has data from a different time period
than the training data (such as with the heritage health prize).
You can use this information to do model selection and
hyperparameter tuning. (Tim Salimans)</p>
      <p>The public leaderboard is some help, [...] but one needs to
be careful to not overfit to it especially on small datasets. Some
masters I have talked to pick their final submission based on a
weighted average of their leaderboard score and their CV score
(weighted by data size). Kaggle makes the dangers of overfit
painfully real. There is nothing quite like moving from a good
rank on the public leaderboard to a bad rank on the private
leaderboard to teach a person to be extra, extra careful to not
overfit. (Steve Donoho)</p>
      <p>Having a good cross validation system by and large makes it
unnecessary to use feedback from the leaderboard. It also helps
to avoid the trap of overfitting to the public leaderboard.
(Anil Thomas)</p>
      <p>Overfitting to the leaderboard is always a major problem.
The best way to avoid it is to completely ignore the leaderboard
score and trust only your cross-validation score. The main
problem here is that your cross-validation has to be correct and
that there is a clear correlation between your cv-score and the
leaderboard score (e.g. improvement in your cv-score lead to
improvement on the leaderboard). If that’s the case for a given
competition, then it’s easy to avoid overfitting. This works
usually well if the test set is large enough.</p>
      <p>If the testset is only small in size and if there is no clear
correlation, then it’s very difficult to only trust your cv-score.
This can be the case if the test set is taken from another
distribution than the train set. (Josef Feigl)
In the 10 last competitions on Kaggle, two of them showed
extreme cases of overfitting and four showed mild cases
of overfitting. The two extreme cases were BIGDATA and
STUMBLEUPON. In Table 1 the Top-10 submissions on the public
test set from BIGDATA is shown, together with the results of the same
participants on the private test set.</p>
      <p>Name
Konstantin Sofiyuk
Ambakhof
SY
Giovanni
asdf
dynamic24
Zoey
GKHI
Jason Sumpter
Vikas
# Public
1
2
3
4
5
6
7
8
9
10</p>
    </sec>
    <sec id="sec-9">
      <title>Additional advice</title>
      <p>One task that is sometimes trivial, and other times not, is that of
“predicting the right thing”. It seems quite trivial to state that it is
important to predict the right thing, but it is not always a simple
matter in practice.</p>
      <p>A next step is to ask, “What should I actually be
predicting?”. This is an important step that is often missed by
many – they just throw the raw dependent variable into their
favorite algorithm and hope for the best. But sometimes you
want to create a derived dependent variable. I’ll use the GE
Flightquest as an example you dont want to predict the actual
time the airplane will land; you want to predict the length of the
flight; and maybe the best way to do that is to use that ratio of
how long the flight actually was to how long it was originally
estimate to be and then multiply that times the original estimate.
(Steve Donoho)</p>
      <p>There are two ways to address the problem of predicting the right
thing: The first way is the one addressed in the quote from Steve
Donoho, about predicting the correct derived variable. The other is
to train the statistical models using the appropriate loss function.</p>
      <p>Just moving from RMSE to MAE can drastically change
the coefficients of a simple model such as a linear regression.
Optimizing for the correct metric can really allow you to
rank higher in the LB, especially if there is variable selection
involved. (Luca Massaron)</p>
      <p>Usually it makes sense to optimize the correct metric
(especially in your cv-score). [...] However, you don’t have
to do that. For example one year ago, I’ve won the Event
Recommendation Engine Challenge which metric was MAP.
I never used this metric and evaluated all my models using
LogLoss. It worked well there. (Josef Feigl)
As an example of why using the wrong loss function might give
rise to issues, look at the following simple example: Say you want to
fit the simplest possible regression model, namely just an intercept a
to the data:</p>
      <p>If we let aMSE denote the a minimizing the mean squared error,
and let aMAE denote the a minimizing the mean absolute error, we
get the following
aMSE ⇡ 9.2818,
aMAE ⇡ 0.2000</p>
      <p>If we now compute the MSE and MAE using both estimates of a,
we get the following results:</p>
      <p>In addition to the quotes related to the five hypotheses, the top
Kaggle-participants also revealed helpful comments for performing
well in a machine learning competition. Some of their statements are
given in this section.</p>
      <p>The best tip for a newcomer is the read the forums. You can
find a lot of good advices there and nowaday also some code
to get you started. Also, one shouldn’t spend too much time
on optimizing the parameters of the model at the beginning of
the competition. There is enough time for that at the end of a
competition. (Josef Feigl)</p>
      <p>In each competiton I learn a bit more from the winners.
A competiton is not won by one insight, usually it is won
by several careful steps towards a good modelling approach.
Everything play its role, so there is no secret formula here, just
several lessons learned applied together. I think new kagglers
would benefit more of carefully reading the forums and the
past competitions winning posts. Kaggle masters aren’t cheap
on advice! (Lucas Eustaquio)</p>
      <p>My most surprising experience was to see the consistently
good results of Friedman’s gradient boosting machine. It does
not turn out from the literature that this method shines in
practice. (Gabor Takacs)</p>
      <p>The more tools you have in your toolbox, the better
prepared you are to solve a problem. If I only have a hammer
in my toolbox, and you have a toolbox full of tools, you are
probably going to build a better house than I am. Having said
that, some people have a lot of tools in their toolbox, but they
don’t know *when* to use *which* tool. I think knowing when
to use which tool is very important. Some people get a bunch of
tools in their toolbox, but then they just start randomly throwing
a bunch of tools at their problem without asking, “Which tool
is best suited for this problem?” (Steve Donoho)
5</p>
    </sec>
    <sec id="sec-10">
      <title>Conclusion</title>
      <p>This paper looks at the recent trend of using data analysis
competitions for selecting the most appropriate model for a specific
problem. When participating in data analysis competitions, models
get evaluated solely based on their predictive accuracy. Because
the submitted models are not evaluated on their computational
efficiency, novelty or interpretability, the model construction differs
slightly from the way models are normally constructed for academic
purposes and in industry.</p>
      <p>We stated a set of five different hypotheses about the way to
select and construct models for competitive purposes. We then
used a combination of mathematical theory, experience from past
competitions and qualitative interviews with top participants from
Kaggle to try and verify these hypotheses.</p>
      <p>Although there is no secret formula for winning a data analysis
competition, the stated hypotheses together with additional good
advice from top performing Kaggle competitors, give indications and
guidelines on how to select a proper model for performing well in a
competition on Kaggle.</p>
    </sec>
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