One of the most common tasks performed by data scientists and data analysts are prediction and machine learning. This course will cover the basic components of building and applying prediction functions with an emphasis on practical applications. The course will provide basic grounding in concepts such as training and tests sets, overfitting, and error rates. The course will also introduce a range of model based and algorithmic machine learning methods including regression, classification trees, Naive Bayes, and random forests. The course will cover the complete process of building prediction functions including data collection, feature creation, algorithms, and evaluation.
Prediction study design
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來自 Johns Hopkins University 的課程
Practical Machine Learning
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Week 1: Prediction, Errors, and Cross Validation
This week will cover prediction, relative importance of steps, errors, and cross validation.
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Jeff Leek, PhDAssociate Professor, Biostatistics
Bloomberg School of Public Health
Roger D. Peng, PhDAssociate Professor, Biostatistics
Bloomberg School of Public Health
Brian Caffo, PhDProfessor, Biostatistics
Bloomberg School of Public Health
In the last lecture we learned about in sample
and out of sample errors as well as over fitting.
In this lecture we'll talk about prediction study design or how to minimize
the problems that can be caused by in sample verses out of sample errors.
So in prediction study design the first thing that
we need to do is to find our error rate.
So in this lecture we're just going to use a generic error rate, but in the
next lecture we'll talk about what are
the different possible error rates you can choose.
Then you need to split your data, the data that you're going to be using
to build and validate your model into three
components, well, two components and one optional component.
So there's a training set that must be created
in order to build your model, a testing set to
evaluate your model, and optionally a validation set as well,
which is also going to be used to validate your model.
So what you do is on the training
set, you pick features using cross-validation, for example.
We'll talk about what cross-validation is later in
the course, but the idea is basically to
use that training set to pick which of
the features that are most important in your model.
Then use that same technique to actually pick the prediction function
and estimate all the parameters that you might be interested in.
We build a model using the training set.
If there's no validation set, then we apply the best
model that we have to our test set exactly one time.
And so the, why do we only apply it one time?
If we applied multiple models to our testing set, then, and pick the best
one, then we're using the test set, in some sense, to train the model.
In other words, we're still getting an optimistic view of
what the data error would be on a completely new dataset.
So you should apply the prediction model to the test set exactly one time.
If there's a validation set and a test set then you might apply your
best prediction models all to your test set and refine them a little bit.
So what you might find is that some features don't work so well when you're
doing out of sample prediction and you might
refine and adjust your model a little bit.
But now, again, like I said, your test set error is going to be
a little bit optimistic error for what your actual out of sample error will be.
And so what we do is we again, apply our model to exactly
one time to the validation set, only the best one to get our prediction.
So in other words, the idea is that there is one dataset that's
held out from the very start, that you only apply exactly one model
to, and you never do any training or tuning or testing to, and
that will give you a good estimate of your out of sample error rates.
So an important point to keep in mind when
you doing this is to know what the benchmarks are.
So this is an example of a leaderboard from a [UNKNOWN] competition.
And so they often give you benchmarks, marking grey here on this plot
that shows what happens if you say make all the values equal to 0.
And it's a good idea to know
what the prediction benchmark are because sometimes if
you prediction algorithm is performing way better than it should be or way worse than
it should be, the benchmarks will give you some idea of what you should be
doing wrong, and they'll tell you if
your prediction algorithm is kind of going astray.
So this is the studied design that was used in the Netflix prize, so they had
a 100 million ident-user-ident pairs, in other words,
movies that people had given their preference on.
They split that into a training data set, which they were going
to give to, users that we're going to build models for prediction.
Then, they held out, a bunch of ratings that we're not going
to be shown at all to the people that are building the models.
And so, what they provided for people who were building motels,
was a training set, and what they called a probe data set.
So, you would train your model on the training data
set and then you would apply it to the probe
data set to get some idea of what the out
of sample error would be, before submitting it to Netflix.
Then what Netflix would do is they would take your
predictions and they would apply it only to a quiz set.
So this quiz set you didn't get at get to actually see, and you couldn't build your
model on, but if we give you some better
idea of how well your model would perform at
a sample, but in general people could submit multiple
submissions to this quiz set and so they might
actually tune their models a little bit and get
a little bit better performance on the quiz set.
And so what they did ultimately was for the
final evaluation of all the different teams, they applied the
model just one time to this test set that
was held out to the very end of the competition.
And so at the very end of the competition
they got an unbiased estimate of how well this model
would work on a completely new set of data that
the participants in the competition never had a look at.
So this idea was actually very important in their study design and it
actually turned out that some teams that did better on the quiz set, actually
didn't do quite as well on the test set and that was because they
were tuning in their models or over fitting their models to the quiz set.
So this is an important take home message for
you, in the sense that if you're building prediction
models, you always have to hold one data set,
and leave it completely aside while you're building your models.
This is now used by group professionals so
Kaggle is a company that actually runs lots
of co, competitions for prediction competitions for a
whole bunch of different data sets provided by companies.
And they always do a similar model in the sense that they always have a leader board
that consists of the predictions that people have
submitted for a validation data set that they have.
But it's not necessarily the data set that they'll
use to validate their methods at the very end.
That data set is held out until the very end, and each
person gets to apply their algorithm to that data set only one time.
Something to keep in mind is that when you're splitting your
data sets up into training, testing and validation sets, they can
get a little bit small, but you need to avoid small
sample sizes, particularly if you're dealing with the test set size.
And the reason why is, suppose you were predicting a binary outcome, so in my
case, a very common thing to try to do is to predict diseased versus healthy.
And in general, it might be something like, whether people will
click on an ad, or whether they won't click on an ad.
Then one classifier is just flipping a coin.
You could always just flip a coin, and say, they'll be diseased if
the coin is heads, and not diseased if the coin comes out tails.
And so the probability of a perfect classification, using this
really silly algorithm is one half raised to the sample size.
In other words, half the time you'll be
right, just by chance by flipping the coin.
And each time, supposing each prediction is independent,
then each time that you flip a coin, then
you'll get one half times that, a number will
be the decrease in accuracy that you would get.
So if you were pr-, test set has only one sample in
it, then you have about a 50/50 chance of getting that sample right.
So, even if you got prediction accuracy of 100% on the test set,
you would have a 50% chance of that, even with a coin flip.
With n equals 2, you only have a, you
still only have a 25% chance of 100% accuracy.
And with n equals 10 in your test set, now
you have, only about a .1% chance of getting 100% accuracy.
So if you see that 100% accuracy you'll feel a little bit
more confident that it's actually true and it's not something that's just random.
So this suggests that we should make sure
that especially our test sizes are of relatively
large size so we can be sure that
we're not just getting good prediction accuracy by chance.
So some rules of thumb, these are by
no means set in stone, but they are reasonable
rules of thumb that I've used and I think a lot of people have used similar ones.
So you set, when you get a new data set,
if it's large enough, you'll set 60% of your data set
to be training, 20% of your data set to be
test, and 20% of your valid, data set to be validation.
This is again assuming that your test and validation
data sets won't be too small if you do that.
If you have a medium sample size what you might do is you might take 60%
of your data set to be training and 40% of your data set to be testing.
This means you don't get to refine your models in
a test set and then apply them to a validation set.
But it might insure that your testing site is of sufficient size.
Finally, if you have a very small sample size.
First of all, you might reconsider whether you have enough samples
to be able to build a prediction algorithm in the first place.
But suppose your dead set on building a prediction or machine learning
algorithm, then the idea might be to do cross validation and report the
caveat of the small sample size and the fact that you never got
to predict this in an out of sample or a testing data set.
So
some principles to remember are the test set or the validation set
should be set aside and never looked at when building your model.
In other words, you would need to have one
data set which you apply only one model to, only
one time, and that data set should be completely
independent of anything you use to build the prediction model.
In general you want to randomly sample the training and test set and
random might depend on the type of sampling that you want to do.
So for example, if you have, time fit time force
data, in other words you have, data collected over time, you
might want to build your, training set in chunks of time, but
again, random chunks of time and build them on random predictions.
Your data set much reflect the structure of the problem.
In other words, if you want to sample any data set that might have sources
of dependence over time or across space, you need to sample your data in chunks.
This is called backtesting in finance.
And it's basically the idea that you want to be able
to use chunks of data that consist of observations over time.
All subsets should re, reflect as much diversity as possible.
If you do random assignment, it does this.
You might also try balancing by features.
This can be a little bit tricky, but it often is a useful idea.
