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OpenML
Joaquin Vanschoren (TU/e) & the OpenML team
@open_mlwww.openml.org
machine learning, better, together
What if…
we could map the entire universe?
What if…
we could organize the world’s
machine learning information?
What if…
we could organize all machine learning
datasets, experiments, and models?
Easy to use: Integrated in existing ML tools
Easy to contribute: Automated sharing of data, code, results
Organized data: Easily find & reuse data, models, experiments
Reward structure: Track your impact, build reputation
Self-learning: Learn from many experiments to help people
N E T W O R K E D S C I E N C E
Enhance research by removing friction
Organized, searchable, reusable experiments
Searchable, uniformly formatted, semantically
annotated datasets
Automate machine learning and experimentation
through clean APIs
Uniform algorithm/pipeline descriptions
Better reproducibility by auto-logging all
experiment details
Building an open source team
20+ active developers
Hackathons + GitHub
Open to existing projects
Academia + industry
www.openml.org
OpenML: Components
Flows: Uniform description of ML pipelines
Run locally (or wherever), auto-upload globally
Datasets: Auto-annotated, organized, well-formatted
Easily find and load datasets + meta-data
Tasks: Auto-generated, machine-readable
Everyone’s results are comparable, reusable
Runs:All results from running flows on tasks
All details needed for tracking and reproducibility
Evaluations can be queried, compared, reused
R E S T ( X M L / J S O N ) , P Y T H O N , R , J AVA , …
O P E N M L A P I
• Search Data, Flows, Models, Evaluations
• Download data, meta-data and runs
• Upload new data, flows, runs
• Program against OpenML (e.g. easy benchmarking)
• Build your own bots that automate processes
• Data cleaning, annotation, model building, evaluation
Interact with OpenML any way you want. All data is open.
It starts with data
Data (tabular) easily uploaded or referenced (URL)
It starts with data
Data (tabular) easily uploaded or referenced (URL)
It starts with data
Data (tabular) easily uploaded or referenced (URL)
It starts with data
auto-versioned, analysed, organised online
auto-versioned, analysed, organised online
auto-versioned, analysed, organised online
auto-versioned, analysed, organised online
auto-versioned, analysed, organised online
Search (API) Python, R, Java, C#
Search (API)
import	openml	as	oml	
openml_list	=	oml.datasets.list_datasets()
Python, R, Java, C#
Search (API)
import	openml	as	oml	
openml_list	=	oml.datasets.list_datasets()
Python, R, Java, C#
Search (API) Python, R, Java, C#
Search (API)
openml_list	=	oml.datasets.list_datasets(	
number_instances	=	'10000..20000',	
number_features	=	'10..20')
Python, R, Java, C#
Search (API) Python, R, Java, C#
Search (API)
openml_list	=	oml.datasets.list_datasets(	
											data_name	=	'eeg-eye-state')
Python, R, Java, C#
Search (API)
openml_list	=	oml.datasets.list_datasets(	
											data_name	=	'eeg-eye-state')
Python, R, Java, C#
Search (API)
openml_list	=	oml.datasets.list_datasets(	
											data_name	=	'eeg-eye-state')
Python, R, Java, C#
data id
Get (API) Python, R, Java, C#
Get (API)
dataset	=	oml.datasets.get_dataset(1471)	
dataset.description[:500]	
Python, R, Java, C#
Get (API)
dataset	=	oml.datasets.get_dataset(1471)	
dataset.description[:500]	
Python, R, Java, C#
Get (API) Python, R, Java, C#
Get (API)
X,	y,	attribute_names	=	dataset.get_data(	
			return_attribute_names=True)	
Python, R, Java, C#
Get (API)
X,	y,	attribute_names	=	dataset.get_data(	
			return_attribute_names=True)	
Python, R, Java, C#
eeg	=	pd.DataFrame(X,	columns=attribute_names)	
eeg['class']	=	y
Get (API)
X,	y,	attribute_names	=	dataset.get_data(	
			return_attribute_names=True)	
Python, R, Java, C#
eeg	=	pd.DataFrame(X,	columns=attribute_names)	
eeg['class']	=	y
Get (API) Python, R, Java, C#
Get (API)
eeg.plot()	
pd.DataFrame(y).plot()	
Python, R, Java, C#
Get (API)
eeg.plot()	
pd.DataFrame(y).plot()	
Python, R, Java, C#
Get (API) Python, R, Java, C#
Get (API)
dataset.qualities	
Python, R, Java, C#
Get (API)
dataset.qualities	
Python, R, Java, C#
Get (API)
dataset.qualities	
Python, R, Java, C#
130+ data properties
(meta-features)
Via sklearn (0.20+) Python, R, Java, C#
{'id': '40966',
'name': 'MiceProtein',
'version': '4',
'format': 'ARFF',
'upload_date': '2017-11-08T16:00:15',
‘licence’: 'Public',
'url': 'https://openml2.win.tue.nl/data/v1/download/17928620/
MiceProtein.arff',
‘file_id': '17928620',
'default_target_attribute': 'class',
'row_id_attribute': 'MouseID',
Via sklearn (0.20+)
from	sklearn.datasets	import	fetch_openml	
mice_data	=	fetch_openml(name='miceprotein',		
																		version=4)	
mice_data.details
Python, R, Java, C#
{'id': '40966',
'name': 'MiceProtein',
'version': '4',
'format': 'ARFF',
'upload_date': '2017-11-08T16:00:15',
‘licence’: 'Public',
'url': 'https://openml2.win.tue.nl/data/v1/download/17928620/
MiceProtein.arff',
‘file_id': '17928620',
'default_target_attribute': 'class',
'row_id_attribute': 'MouseID',
Fit (API) Python, R, Java, C#
Fit (API) Python, R, Java, C#
from	sklearn	import	neighbors	
clf	=	neighbors.KNeighborsClassifier()	
clf.fit(X,	y)
Fit (API) Python, R, Java, C#
from	sklearn	import	neighbors	
clf	=	neighbors.KNeighborsClassifier()	
clf.fit(X,	y)
Complete code to build a model,
automatically, anywhere
Complete code to build a model,
automatically, anywhere
import	openml	as	oml	
from	sklearn	import	neighbors,	tree	
dataset	=	oml.datasets.get_dataset(1471)	
X,	y	=	dataset.get_data()	
clf	=	neighbors.KNeighborsClassifier()	
clf.fit(X,	y)
Tasks contain data, goals, procedures.
Auto-build + evaluate models correctly
All evaluations are directly comparable
optimize accuracy
Predict target T
Tasks
auto-benchmarking and collaboration
10-fold Xval
10-fold Xval
Predict target T
Collaborate in real time online
optimize accuracy
10-fold Xval
Predict target T
Collaborate in real time online
optimize accuracy
10-fold Xval
Predict target T
Collaborate in real time online
optimize accuracy
Search
Search
task_list	=	oml.tasks.list_tasks(size=5000)
Search
task_list	=	oml.tasks.list_tasks(size=5000)
Search
task_list	=	oml.tasks.list_tasks(size=5000)
task id
Search
Search
mytasks	=	pd.DataFrame.from_dict(task_list)	
mytasks.query('name=="eeg-eye-state"')
Search
mytasks	=	pd.DataFrame.from_dict(task_list)	
mytasks.query('name=="eeg-eye-state"')
Search
mytasks	=	pd.DataFrame.from_dict(task_list)	
mytasks.query('name=="eeg-eye-state"')
task id
Get
Get
task	=	oml.tasks.get_task(14951)
Get
task	=	oml.tasks.get_task(14951)
Auto-run algorithms/workflows on any task
Integrated in many machine learning tools (+ APIs)
Flows
Run experiments locally, share them globally
Integrated in many machine learning tools (+ APIs)
import	openml	as	oml	
from	sklearn	import	tree	
task	=	oml.tasks.get_task(14951)	
clf	=	tree.ExtraTreeClassifier()	
flow	=	oml.flows.sklearn_to_flow(clf)	
run	=	oml.runs.run_flow_on_task(task,	flow)	
myrun	=	run.publish()
Fit and share (complete code)
import	openml	as	oml	
from	sklearn	import	tree	
task	=	oml.tasks.get_task(14951)	
clf	=	tree.ExtraTreeClassifier()	
flow	=	oml.flows.sklearn_to_flow(clf)	
run	=	oml.runs.run_flow_on_task(task,	flow)	
myrun	=	run.publish()
Fit and share (complete code)
Uploaded to http://www.openml.org/r/9204488
import	openml	as	oml	
from	sklearn	import	tree	
task	=	oml.tasks.get_task(14951)	
clf	=	tree.ExtraTreeClassifier()	
flow	=	oml.flows.sklearn_to_flow(clf)	
run	=	oml.runs.run_flow_on_task(task,	flow)	
myrun	=	run.publish()
Fit and share pipelines
from	sklearn	import	pipeline,	ensemble,	preprocessing	
from	openml	import	tasks,runs,	datasets	
task	=	tasks.get_task(59)	
pipe	=	pipeline.Pipeline(steps=[	
												('Imputer',	preprocessing.Imputer()),	
												('OneHotEncoder',	preprocessing.OneHotEncoder(),	
												('Classifier',	ensemble.RandomForestClassifier())	
											])	
flow	=	oml.flows.sklearn_to_flow(pipe)	
run	=	oml.runs.run_flow_on_task(task,	flow)	
myrun	=	run.publish()
Fit and share pipelines
Uploaded to http://www.openml.org/r/7943199
from	sklearn	import	pipeline,	ensemble,	preprocessing	
from	openml	import	tasks,runs,	datasets	
task	=	tasks.get_task(59)	
pipe	=	pipeline.Pipeline(steps=[	
												('Imputer',	preprocessing.Imputer()),	
												('OneHotEncoder',	preprocessing.OneHotEncoder(),	
												('Classifier',	ensemble.RandomForestClassifier())	
											])	
flow	=	oml.flows.sklearn_to_flow(pipe)	
run	=	oml.runs.run_flow_on_task(task,	flow)	
myrun	=	run.publish()
Fit and share deep learning models
import	keras	
from	keras.models	import	Sequential,		
from	keras.layers	import	Dense,	Dropout,	Flatten,	Conv2D,	MaxPooling
from	keras.layers.core	import	Activation	
model	=	Sequential()	
model.add(Reshape((28,	28,	1),	input_shape=(784,)))	
model.add(Conv2D(20,	(5,	5),	padding=“same",	input_shape=(28,28,1),	
										activation='relu'))	
model.add(MaxPooling2D(pool_size=(2,	2),	strides=(2,	2)))	
model.add(Conv2D(50,	(5,	5),	padding="same",	activation='relu'))	
model.add(MaxPooling2D(pool_size=(2,	2),	strides=(2,	2)))	
model.add(Flatten())	
model.add(Dense(500))	
model.add(Activation(‘relu'))	
model.add(Dense(10))	
model.add(Activation('softmax'))	
model.compile(loss=keras.losses.categorical_crossentropy,	
														optimizer=keras.optimizers.Adadelta(),	
														metrics=['accuracy'])
Fit and share deep learning models
task	=	tasks.get_task(3573)	#MNIST	
flow	=	oml.flows.keras_to_flow(model)	
run	=	oml.runs.run_flow_on_task(task,	flow)	
myrun	=	run.publish()
Fit and share deep learning models
Uploaded to https://www.openml.org/r/9204337
task	=	tasks.get_task(3573)	#MNIST	
flow	=	oml.flows.keras_to_flow(model)	
run	=	oml.runs.run_flow_on_task(task,	flow)	
myrun	=	run.publish()
Compare to state-of-the-art
reproducible, linked to data, flows, authors
and all other experiments
Experiments auto-uploaded, evaluated online
Runs
Share and reuse results
reproducible, linked to data, flows, authors
and all other experiments
Experiments auto-uploaded, evaluated online
Runs
Share and reuse results
Experiments auto-uploaded, evaluated online
Download, reuse runs
Download, reuse runs
myruns	=	oml.runs.list_runs(task=[14951])	
sns.violinplot(x="score",	y="flow",	data=pd.DataFrame(
Download, reuse runs
myruns	=	oml.runs.list_runs(task=[14951])	
sns.violinplot(x="score",	y="flow",	data=pd.DataFrame(
Publishing, impact tracking
OpenML Community
6000+ registered users,
130000+ yearly users
A U T O M AT I N G M A C H I N E L E A R N I N G
• Find similar datasets
• See what works well on similar datasets
• Reuse (millions of) prior model evaluations:
• Learn how to learn: choose/create algorithms for new
tasks
• Reuse results on many hyperparameter settings
• Surrogate models: predict best hyperparameter settings
• Study hyperparameter effects/importance
• Deeper understanding of algorithm performance:
• WHY models perform well (or not)
• Never-ending Automatic Machine Learning:
• AutoML methods built on top of OpenML get
increasingly better as more meta-data is added
Learning to learn
AutoML bots learn from models shared by humans (on OpenML)
Humans learn from models built by humans and bots (AI assist)
models built
by humans
models built
by AutoML bots
Learning to learn
AutoML bots learn from models shared by humans (on OpenML)
Humans learn from models built by humans and bots (AI assist)
models built
by humans
models built
by AutoML bots
E X A M P L E S
Matthias Feurer et al. (2016) NIPS
• Auto-sklearn (AutoML challenge winner, NIPS 2016)
• Lookup similar datasets, start with best pipelines
• Hyperparameter space design
• Use OpenML data to learn which hyperparameters to tune
Jan van Rijn et al. (2017) AutoML@ICML
E X A M P L E S
• Faster drug discovery (QSAR)
• Meta-learning to build better models that recommend drug
candidates for rare diseases
ChEMBL DB: 1.4M compounds,
10k proteins,12.8M activities
Molecule
representations
MW #LogP #TPSA #b1 #b2 #b3 #b4 #b5 #b6 #b7 #b8 #b9#
!!
377.435 !3.883 !77.85 !1 !1 !0 !0 !0 !0 !0 !0 !0 !!
341.361 !3.411 !74.73 !1 !1 !0 !1 !0 !0 !0 !0 !0 !…!
197.188 !-2.089 !103.78 !1 !1 !0 !1 !0 !0 !0 !1 !0 !!
346.813 !4.705 !50.70 !1 !0 !0 !1 !0 !0 !0 !0 !0!
! ! ! ! ! ! !.!
! ! ! ! ! ! !: !!
16,000 regression datasets
x52 pipelines (on OpenML)
meta-model
all data on
new protein
optimal models
to predict activity
(Olier et al., Machine Learning 107(1), 2018)
E X A M P L E S
Thanks to the entire OpenML team
Jan
van Rijn
Mattias
Feurer
Guiseppe
Casalicchio
Bernd
Bischl
Heidi
Seibold
Bilge
Celik
Andreas
Mueller
Erin
LeDell
Pieter
Gijsbers
Andrey
Ustyuzhanin
Tobias
Glasmachers
Jakub
Smid
William
Raynaut
And many
more!
Thanks to the entire OpenML team
Jan
van Rijn
Mattias
Feurer
Guiseppe
Casalicchio
Bernd
Bischl
Heidi
Seibold
Bilge
Celik
Andreas
Mueller
Erin
LeDell
Pieter
Gijsbers
Andrey
Ustyuzhanin
Tobias
Glasmachers
Jakub
Smid
William
Raynaut
And many
more!
Join us! (and change the world)
Active open source community
We need more bright people
- ML/DB experts
- Developers
- UX
Join us! (and change the world)
Active open source community
We need more bright people
- ML/DB experts
- Developers
- UX
Support is welcome!
Workshop sponsorship (hackathons 2x/year)
Donations: OpenML foundation
Compute time
Project ideas
Support is welcome!
Workshop sponsorship (hackathons 2x/year)
Donations: OpenML foundation
Compute time
Project ideas
Thank you!
@open_ml
OpenML
Thank you!
@open_ml
OpenML
Questions?
J O I N U S
Looking for:
• PhD Students
• Scientific programmer

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