Automated machine learning (AutoML) systems can find the optimal machine learning algorithm and hyperparameters for a given dataset without human intervention. AutoML addresses the skills gap in data science by allowing data scientists to build more models in less time. On average, tuning hyperparameters results in a 5-10% improvement in accuracy over default parameters. However, the best parameters vary across problems. AutoML tools like Auto-sklearn use techniques like Bayesian optimization and meta-learning to efficiently search the hyperparameter space. Auto-sklearn has won several AutoML challenges due to its ability to effectively optimize over 100 hyperparameters.

1. Automated
Machine
Learning
(AutoML)
By Hayim Makabee
November 2019

2. Automated
Machine
Learning
Automated Machine Learning (AutoML)
systems find the right algorithm and
hyperparameters in a data-driven way
without any human intervention.

3. Auto ML
Benefits
AutoML allows the data scientist
to extend his productivity
without adding more members
to the data science team.
AutoML addresses the skills gap
between the demand for data
science talent and the
availability of this talent.

8. Olson
Experiment
on Parameter
Tuning
Used 165 classification data sets from a variety of sources
and 13 different classification algorithms from scikit-learn.
Compared classification accuracy using default parameters
for each algorithm to a tuned version of those algorithms.
On average, got 5–10% improvement in classification
accuracy from tuning algorithms from default parameters.
However, there is no parameter combination that works best
for all problems.
Tuning is mandatory to see improvement and this feature is
built into all AutoML solutions.

10. Example: Learning Rate

13. Bayesian
Optimization

14. Bayesian
Optimization for
Hyperparameter
Selection
Build a probabilistic model to capture the relationship
between hyperparameter settings and their
performance.
Use the model to select useful hyperparameter
settings to try next by trading off exploration
(searching in parts of the space where the model is
uncertain) and exploitation (focusing on parts of the
space predicted to perform well).
Run the machine learning algorithm with those
hyperparameter settings, measure the performance
and update the probabilistic model.

15. Bayesian Optimization Algorithm

18. Auto-sklearn
Auto-sklearn is open source, implemented
in python and built around the scikit-
learn library.
It contains a machine learning pipeline
which takes care of missing values,
categorical features, sparse and dense data,
and rescaling the data.
Next, the pipeline applies a preprocessing
algorithm and an ML algorithm.

19. Generalizing the Bayesian Algorithm
Bayesian Optimization can be generalized to jointly select algorithms,
preprocessing methods, and their hyperparameters as follows:
• The choices of classifier / regressor and preprocessing methods are top-
level, categorical hyperparameters, and based on their settings the
hyperparameters of the selected methods become active.
• The combined space can then be searched with Bayesian optimization
methods that handle such high-dimensional, conditional spaces.

20. Hyperparameters
Auto-sklearn includes 15 ML algorithms, 14
preprocessing methods, and all their respective
hyperparameters, yielding a total of 110
hyperparameters.

21. Meta-learning
Optimizing performance in Auto-sklearn’s space
of 110 hyperparameters can of course be slow.
To jumpstart this process it uses meta-learning
to start from good hyperparameter settings for
previous similar datasets.
Specifically, Auto-sklearn comes with a
database of previous optimization runs on 140
diverse datasets from OpenML.
For a new dataset, it first identifies the most
similar datasets and starts from the saved best
settings for those.

22. Ensemble
Selection
• Auto-sklearn automatically construct
ensembles.
• Instead of returning a single
hyperparameter, it automatically
constructs ensembles from the models
trained during the Bayesian
optimization.
• Specifically, Auto-sklearn
uses Ensemble Selection to create
small, powerful ensembles with
increased predictive power and
robustness.

23. Winning the
AutoML
challenge
The ChaLearn AutoML challenge was a machine
learning competition.
Auto-sklearn placed in the top three for nine out of
ten phases and won six of them.
Particularly in the last two phases, Auto-sklearn won
both the auto track and the tweakathon.
During the last two phases of the tweakathon the
team combined Auto-sklearn with Auto-Net for
several datasets to further boost performance.

24. Auto-sklearn Example
X_train, X_test, y_train, y_test =
sklearn.model_selection.train_test_split(X, y, test_size = 0.3)
automl = autosklearn.classification.AutoSklearnClassifier
(time_left_for_this_task=3600, per_run_time_limit=360)
automl.fit(X_train, y_train)
print(automl.show_models())
predictions = automl.predict(X_test)
probabilities = automl.predict_proba(X_test)[:,1]

25. Result = Ensemble
(0.520000, SimpleClassificationPipeline({'balancing:strategy': 'weighting',
'categorical_encoding:__choice__': 'one_hot_encoding',
'classifier:__choice__': 'random_forest', 'imputation:strategy':
'most_frequent', 'preprocessor:__choice__': 'no_preprocessing',
'rescaling:__choice__': 'quantile_transformer',
'categorical_encoding:one_hot_encoding:use_minimum_fraction': 'True',
'classifier:random_forest:bootstrap': 'True',
'classifier:random_forest:criterion': 'entropy',
'classifier:random_forest:max_depth': 'None',
'classifier:random_forest:max_features': 0.7884268823432835,
'classifier:random_forest:max_leaf_nodes': 'None',
'classifier:random_forest:min_impurity_decrease': 0.0,
'classifier:random_forest:min_samples_leaf': 20,
'classifier:random_forest:min_samples_split': 15,
'classifier:random_forest:min_weight_fraction_leaf': 0.0,
'classifier:random_forest:n_estimators': 100,
'rescaling:quantile_transformer:n_quantiles': 1000,
'rescaling:quantile_transformer:output_distribution': 'uniform',
'categorical_encoding:one_hot_encoding:minimum_fraction':
0.002615346832354839}

26. Result = Ensemble
(0.020000, SimpleClassificationPipeline({'balancing:strategy': 'none',
'categorical_encoding:__choice__': 'no_encoding’,'classifier:__choice__':
'k_nearest_neighbors', 'imputation:strategy': 'mean',
'preprocessor:__choice__': 'no_preprocessing', 'rescaling:__choice__':
'standardize', 'classifier:k_nearest_neighbors:n_neighbors': 1,
'classifier:k_nearest_neighbors:p': 2,
'classifier:k_nearest_neighbors:weights': 'uniform'}

27. Performance – Impact of Time
AutoML 20 Minute Run
Accuracy : 0.89
Precision : 0.89
Recall : 1.0
ROC AUC : 0.61
AutoML 60 Minutes Run
Accuracy : 0.89
Precision : 0.90
Recall : 0.99
ROC AUC : 0.72

28. Performance – Over-Fitting
AutoML 60 Minutes Run
Accuracy : 0.89
Precision : 0.90
Recall : 0.99
ROC AUC : 0.72
AutoML 120 Minutes Run
Accuracy : 0.87
Precision : 0.91
Recall : 0.95
ROC AUC : 0.70

29. Performance X Non-AutoML (train data 1)
AutoML 60 Minutes Run
Accuracy : 0.89
Precision : 0.90
Recall : 0.99
ROC AUC : 0.72
XGBoost
ACCURACY = 0.89
PRECISION = 0.90
RECALL = 0.99
AUC = 0.71

30. Performance X Non-AutoML (train data 2)
AutoML 60 Minutes Run
Accuracy : 0.73
Precision : 0.69
Recall : 0.56
ROC AUC : 0.79
XGBoost
ACCURACY = 0.66
PRECISION = 0.61
RECALL = 0.42
AUC = 0.62

31. Performance – Balance
Negative = 8 X Positive
Accuracy : 0.99
Precision : 1.0
Recall : 0.91
ROC AUC : 0.97
Negative = 20 X Positive
Accuracy : 0.99
Precision : 0.99
Recall : 0.76
ROC AUC : 0.94

32. TPOT
• TPOT = Tree-based
Pipeline Optimization
Tool
• TPOT is a Python
Automated Machine
Learning tool that
optimizes machine
learning pipelines using
Genetic Algorithms.

33. TPOT uses Genetic Algorithms to
find the best ML model and
hyperparameters based on the
training / validation set.
The model options include all the
algorithms implemented in the
scikit-learn library.
Parameters include population size
and number of generations to run
the Genetic Algorithm.
TPOT

34. Genetic
Algorithm

36. Practical
Questions
Can we really move AutoML from the Lab to
production environments?
What would be the latency of using an
Ensemble of models in production?
Would the AutoML training time be prohibitive
for big datasets?
I think we need Incremental AutoML: in which
the previous model (together with new data)
serves as an input to find the next best model.

37. My personal
experience:
Semi-AutoML
at Yahoo Labs
Finite (large) number of manually pre-defined
model configurations (hyperparameters).
Incremental Learning: previous model was used
as input for training new models.
Used Hadoop Map-Reduce: each Reducer used
one configuration, trained a model and
measured its performance (parallel training).
The model with best performance was chosen
for deployment.

38. What next? My
personal opinion
Automated ML will not replace the Data Scientist but
will enable the Data Scientist to produce more models
in less time with higher quality.
This is probably the end of “good enough models” using
standard parameters because the Data Scientist did not
have time to check different parameters.
The main advantage is not saving time. The main
benefit is doing things that were never done because of
lack of time.
Data scientists will have more time to collaborate with
business experts to get domain knowledge and use it in
feature engineering.

39. References
• https://medium.com/@ODSC/the-past-present-and-future-of-automated-machine-learning-5e081ca4b71a
• https://softwareengineeringdaily.com/2019/05/15/introduction-to-automated-machine-learning-automl/
• https://medium.com/georgian-impact-blog/automatic-machine-learning-aml-landscape-survey-f75c3ae3bbf2
• https://medium.com/@MLJARofficial/automl-comparison-4b01229fae5e
• https://www.fast.ai/2018/07/16/auto-ml2/
• https://www.kdnuggets.com/2016/10/interview-auto-sklearn-automated-data-science-machine-learning-team.html
• https://www.kdnuggets.com/2016/08/winning-automl-challenge-auto-sklearn.html
• https://www.kdnuggets.com/2017/07/design-evolution-evolve-neural-network-automl.html
• https://www.slideshare.net/JoaquinVanschoren/automl-lectures-acdl-2019
• https://www.youtube.com/watch?v=QrJlj0VCHys
• https://www.youtube.com/watch?v=jn-22XyKsgo
• https://cloud.google.com/automl/

40. Thanks!
Questions?
Comments?