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Computational
decision making
Dr. Boris Adryan
@BorisAdryan
What I aim to
provide
✓basic vocabulary for
✓fundamental concepts of
computational decision making
✓phenomenological introduction
to machine learning methods
✓a rough idea when and how to
use these methods
What this
presentation isn’t
x hands-on tutorial
x thorough summary
x comprehensive guide
x technical deep dive
x statistics course
Is this artificial
intelligence?
word = input(‘Enter a word:’)
for key in British_dictionary.iteritems():
if key.startswith(word):
print(‘This is a British word.’)
Is this machine
learning?
temperature = float(input('What is the temperature?'))
if temperature >= 1.0:
print('Wear shorts.')
else:
print('Wear long underwear.’)
Definition
Rule-based decision making on
the basis of numeric thresholds
or string patterns etc is not
machine learning.
And most definitely it is
not artificial intelligence.
But what if…
…the threshold is inferred at
run time?
“Write a software that says how
close to Euston you can move if
you can afford to spend £650k.”
450
550
650
750
850
950
1050
0 3 6 9 12
Average property price
Northern Line, number of stops from Euston
table = input_table(‘cost at station’)
print(where_x_yields_a_low_enough_y)
Linear regression
is probably the most simple
“machine learning” method.
Average property price
Northern Line, number of stops from Euston
It is an example of supervised
learning, because we teach the
computer the relation between
an input variable (“feature”) and
an output variable (“label”).
450
550
650
750
850
950
1050
0 3 6 9 12
y = m . x + b
Linear regression
can become arbitrarily
complicated.
The difference between curve fitting
in statistics and machine learning is
mostly semantics.
f(number of stops to Euston,
square footage, bedrooms,
bathrooms, …) price
many features
Euston
High
Barnet
small
large
price
Classification tasks I. setosa
I. virginica
I. versicolor
All images from https://en.wikipedia.org/wiki/Iris_flower_data_set
Rather than projecting the feature
vector onto a continuous variable,
many supervised learning
methods identify “class labels”.
Classification tasks
Supervised learning requires
complete input matrices. Missing
or nonsensical values have to be
replaced or removed.
Non-numerical features (think, e.g.
“name of colour”, “smell”) have to
be encoded.
class
label
feature 1 feature 2 feature 3 feature 4
1 5.1 3.5 1.4 0.2
1 4.9 3.0 1.4 0.2
2 7.0 3.2 4.7 1.4
3 6.3 3.3 6.0 2.5
Classification tasks
sepal length
sepalwidth
I. setosa
I. virginica
In a first approximation,
classification (by regression) aims
to find a function that best
separates the different class labels.
f(sepal width, sepal length) (1,2)
“1”
“2”
sepal length
sepalwidth
I. setosa
I. virginica
I. versicolor
Decision trees
sepal width
petalwidth
A decision tree can be understood
as a series of linear separations of
the data.
ratio of sepal width : sepal length
I. virginica
ratio of petal width : sepal width
I. setosa I. versicolor
Random forests
A collection of decision trees, each
trained on a random subset of the
data, can minimise the risk of
over-fitting.
A single big decision tree trained
on all data can effectively describe
a single data point.
sepal width
petalwidth
Over-/Underfitting
Sloppy separation is called
underfitting, and greedy
separation overfitting.
Counteracting an overfit is called
regularisation, and works by
penalising too many features (L1)
or too strong feature weights (L2).
underfit (high bias)
okay
overfit (high variance)
Dimensionality
reduction
Dimensionality reduction aims to
reduce the complexity of a dataset
(in respect to number of features).
The first principal components are
dimensions that explain most of a
dataset’s variance.
Support vector
machine
The SVM aims to provide an ideal
separation plane by supporting it
with a training data vector.
A classification margin protects the
SVM against overfitting.
?
margin support vectors
decision boundary
wTx = 0
negative hyperplane
wTx = -1
positive hyperplane
wTx = 1
Kernel trick
Input data can be projected into a
higher-dimensional space that
allows linear separation of
otherwise inseparable data.
There are different kernels, such
as the radial basis function
(Gaussian) or polynomial kernel.
“2D” input space
Φ
“3D” feature space
http://scikit-learn.org/0.18/auto_examples/svm/plot_iris.html
features
weather forecast
airport location
# of gates
# of runways
# of
snowploughs
airline
aircraft
BLACK
BOX
training
flights
cancelled in
the past classifier
ranked list of
relevant features
weight of
features
thresholds for
features
performance
metric
prediction
new data
General
approach
An intuitive example from real life.
training
classifier
performance
assessment
good enough?
success!
moredatafortraining
data
no
yes
sensitivity
“truepositives”
1-specificity
“false positives”
0 0.2 0.4 0.6 0.8 1.0
1.0
0.8
0.6
0.4
0.2
worse than
random
guess
Classifier
performance
Not all machine learning behaves
ideal, and performance metrics
are important for quality checks
and parameter tuning.
https://en.wikipedia.org/wiki/Precision_and_recall
There is a wide range of performance
metrics, comprising combinations of
true & false positives as well as
true & false negatives.
Metrics zoo
positive class (P) negative class (N)
predicted positive true positive (TP) false positive (FP)
predicted negative false negative (FN) true negative (TN)
data acquisition model building test use in production
data recording
(production system)
evaluation
raw data clean-up feature engineering model learning model selection
labour intense compute intensebrain intense
development
production
ML pipeline
Choosing a method
from: Olson et al., 2017, https://arxiv.org/abs/1708.05070
There is no ‘one-size-fits-all’
machine learning method. Most
methods need to be carefully
tuned to perform ideal.
Often, there a ‘non-functional’
constraints on choosing a method.
Runtime, interpretability, etc.
What about
neural networks?
feature 1 feature 2 feature 3
weight 1 weight 2 weight 3
input function
activation function
class output
error for weight updates
a simple perceptron
Neural networks attempt to mimic
the integrative properties of neurons.
The perceptron is a single-layer
network.
inputs
outputs
Deep neural networks
http://www.asimovinstitute.org/neural-network-zoo
While many artificial neural networks
show great performance, the basis on
which features exactly the classification
works remains largely unknown.
In RL, the methods iteratively
learn to optimise an output from
an abstract representation of a
system
Reinforcement
learning
move (l/r)
or shoot
unknown
systemmap (210 x 160 pixels, 8-bit RGB)
actual score
choose action on basis
of map to optimise score
Mnih et al., Nature (2015)
Machine learning can help to
structure and explore an
unknown dataset.
These methods aid the
identification of classes where
their existence isn’t known yet.
Unsupervised
learning
• Hierarchical clustering
• K-means clustering
• Expectation maximisation
• Density-based clustering
plus
clever visualisation
Hierarchical clustering
Derives hierarchical dependencies of
individual rows and columns in the
dataset on the basis of similarity
(correlation) between their properties.
Combined with a heatmap, gives a good
first impression of a dataset.
k-means clustering
Defines k different centroids to which
data points are assigned by proximity. If
the distance doesn’t get much smaller, k
is the number of clusters in the set.
Density-based clustering and expectation
maximisation are conceptually related,
the latter giving a probability for
membership in any group.
k = 2
k vs centroid distance
Conclusions
https://badryan.github.io/2015/10/20/is-it-all-machine-learning.html
•People on the Internet steal
infographics.
•ML methods have been around in
the stats world for ages, but big
data sets and compute power
make them more widely known.
•Understanding key principles
behind ML should be part of the
school curriculum.

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Computational decision making

  • 2. What I aim to provide ✓basic vocabulary for ✓fundamental concepts of computational decision making ✓phenomenological introduction to machine learning methods ✓a rough idea when and how to use these methods
  • 3. What this presentation isn’t x hands-on tutorial x thorough summary x comprehensive guide x technical deep dive x statistics course
  • 4. Is this artificial intelligence? word = input(‘Enter a word:’) for key in British_dictionary.iteritems(): if key.startswith(word): print(‘This is a British word.’)
  • 5. Is this machine learning? temperature = float(input('What is the temperature?')) if temperature >= 1.0: print('Wear shorts.') else: print('Wear long underwear.’)
  • 6. Definition Rule-based decision making on the basis of numeric thresholds or string patterns etc is not machine learning. And most definitely it is not artificial intelligence.
  • 7. But what if… …the threshold is inferred at run time? “Write a software that says how close to Euston you can move if you can afford to spend £650k.” 450 550 650 750 850 950 1050 0 3 6 9 12 Average property price Northern Line, number of stops from Euston table = input_table(‘cost at station’) print(where_x_yields_a_low_enough_y)
  • 8. Linear regression is probably the most simple “machine learning” method. Average property price Northern Line, number of stops from Euston It is an example of supervised learning, because we teach the computer the relation between an input variable (“feature”) and an output variable (“label”). 450 550 650 750 850 950 1050 0 3 6 9 12 y = m . x + b
  • 9. Linear regression can become arbitrarily complicated. The difference between curve fitting in statistics and machine learning is mostly semantics. f(number of stops to Euston, square footage, bedrooms, bathrooms, …) price many features Euston High Barnet small large price
  • 10. Classification tasks I. setosa I. virginica I. versicolor All images from https://en.wikipedia.org/wiki/Iris_flower_data_set Rather than projecting the feature vector onto a continuous variable, many supervised learning methods identify “class labels”.
  • 11. Classification tasks Supervised learning requires complete input matrices. Missing or nonsensical values have to be replaced or removed. Non-numerical features (think, e.g. “name of colour”, “smell”) have to be encoded. class label feature 1 feature 2 feature 3 feature 4 1 5.1 3.5 1.4 0.2 1 4.9 3.0 1.4 0.2 2 7.0 3.2 4.7 1.4 3 6.3 3.3 6.0 2.5
  • 12. Classification tasks sepal length sepalwidth I. setosa I. virginica In a first approximation, classification (by regression) aims to find a function that best separates the different class labels. f(sepal width, sepal length) (1,2) “1” “2”
  • 13. sepal length sepalwidth I. setosa I. virginica I. versicolor Decision trees sepal width petalwidth A decision tree can be understood as a series of linear separations of the data. ratio of sepal width : sepal length I. virginica ratio of petal width : sepal width I. setosa I. versicolor
  • 14. Random forests A collection of decision trees, each trained on a random subset of the data, can minimise the risk of over-fitting. A single big decision tree trained on all data can effectively describe a single data point. sepal width petalwidth
  • 15. Over-/Underfitting Sloppy separation is called underfitting, and greedy separation overfitting. Counteracting an overfit is called regularisation, and works by penalising too many features (L1) or too strong feature weights (L2). underfit (high bias) okay overfit (high variance)
  • 16. Dimensionality reduction Dimensionality reduction aims to reduce the complexity of a dataset (in respect to number of features). The first principal components are dimensions that explain most of a dataset’s variance.
  • 17. Support vector machine The SVM aims to provide an ideal separation plane by supporting it with a training data vector. A classification margin protects the SVM against overfitting. ? margin support vectors decision boundary wTx = 0 negative hyperplane wTx = -1 positive hyperplane wTx = 1
  • 18. Kernel trick Input data can be projected into a higher-dimensional space that allows linear separation of otherwise inseparable data. There are different kernels, such as the radial basis function (Gaussian) or polynomial kernel. “2D” input space Φ “3D” feature space http://scikit-learn.org/0.18/auto_examples/svm/plot_iris.html
  • 19. features weather forecast airport location # of gates # of runways # of snowploughs airline aircraft BLACK BOX training flights cancelled in the past classifier ranked list of relevant features weight of features thresholds for features performance metric prediction new data General approach An intuitive example from real life.
  • 20. training classifier performance assessment good enough? success! moredatafortraining data no yes sensitivity “truepositives” 1-specificity “false positives” 0 0.2 0.4 0.6 0.8 1.0 1.0 0.8 0.6 0.4 0.2 worse than random guess Classifier performance Not all machine learning behaves ideal, and performance metrics are important for quality checks and parameter tuning.
  • 21. https://en.wikipedia.org/wiki/Precision_and_recall There is a wide range of performance metrics, comprising combinations of true & false positives as well as true & false negatives. Metrics zoo positive class (P) negative class (N) predicted positive true positive (TP) false positive (FP) predicted negative false negative (FN) true negative (TN)
  • 22. data acquisition model building test use in production data recording (production system) evaluation raw data clean-up feature engineering model learning model selection labour intense compute intensebrain intense development production ML pipeline
  • 23. Choosing a method from: Olson et al., 2017, https://arxiv.org/abs/1708.05070 There is no ‘one-size-fits-all’ machine learning method. Most methods need to be carefully tuned to perform ideal. Often, there a ‘non-functional’ constraints on choosing a method. Runtime, interpretability, etc.
  • 24. What about neural networks? feature 1 feature 2 feature 3 weight 1 weight 2 weight 3 input function activation function class output error for weight updates a simple perceptron Neural networks attempt to mimic the integrative properties of neurons. The perceptron is a single-layer network. inputs outputs
  • 25. Deep neural networks http://www.asimovinstitute.org/neural-network-zoo While many artificial neural networks show great performance, the basis on which features exactly the classification works remains largely unknown.
  • 26. In RL, the methods iteratively learn to optimise an output from an abstract representation of a system Reinforcement learning move (l/r) or shoot unknown systemmap (210 x 160 pixels, 8-bit RGB) actual score choose action on basis of map to optimise score Mnih et al., Nature (2015)
  • 27. Machine learning can help to structure and explore an unknown dataset. These methods aid the identification of classes where their existence isn’t known yet. Unsupervised learning • Hierarchical clustering • K-means clustering • Expectation maximisation • Density-based clustering plus clever visualisation
  • 28. Hierarchical clustering Derives hierarchical dependencies of individual rows and columns in the dataset on the basis of similarity (correlation) between their properties. Combined with a heatmap, gives a good first impression of a dataset.
  • 29. k-means clustering Defines k different centroids to which data points are assigned by proximity. If the distance doesn’t get much smaller, k is the number of clusters in the set. Density-based clustering and expectation maximisation are conceptually related, the latter giving a probability for membership in any group. k = 2 k vs centroid distance
  • 30. Conclusions https://badryan.github.io/2015/10/20/is-it-all-machine-learning.html •People on the Internet steal infographics. •ML methods have been around in the stats world for ages, but big data sets and compute power make them more widely known. •Understanding key principles behind ML should be part of the school curriculum.