Machine Learning for Materials Research Boot Camp & Workshop on Autonomous Materials Research

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Monday, August 5th
Introduction to Python and Data Preprocessing	Alex Belianinov (ORNL) 7:30am Breakfast and Registration 8:30am Welcome and announcements 8:45am Introduction and basics of python 10:00am Coffee break 10:30am Continue 12:00pm Lunch 1:00pm Background subtraction and data preprocessing 2:30pm Coffee break 3:00pm Continue 5:00pm Reception Monday night
Tuesday, August 6th
Unsupervised Machine Learning	A. Gilad Kusne (NIST) 7:30am Breakfast and Registration 8:30am Unsupervised machine learning 10:00am Coffee break 10:30am Continue 12:00pm Lunch 1:00pm Continue unsupervised machine learning 2:30pm Coffee break 3:00pm Continue
Wednesday, August 7th
Supervised Machine Learning	Daniel Samarov (NIST) 7:30am Breakfast and Registration 8:30am Supervised machine learning 10:00am Coffee break 10:30am Continue 12:00pm Lunch 1:00pm Continue supervised machine learning 2:30pm Coffee break 3:00pm Continue 5:00pm Poster session 6:00pm Banquet dinner
Thursday, August 8th
Gaussian Processes and Active Learning, Computational Approaches and Databases	7:30am Breakfast and Registration 8:30am Gaussian Processes Daniel Samarov (NIST) 10:00am Coffee break 10:30am Active Learning A. Gilad Kusne (NIST) 12:00pm Lunch 1:00pm Introduction and Applications of AFLOW Cormac Toher, Cory Oses, David Hicks, and Marco Esters (Duke) 2:30pm Coffee break 3:00pm AFLOW continued Cormac Toher, Cory Oses, David Hicks, and Marco Esters (Duke) 4:30pm Data Mining of Experimental Databases Valentin Stanev (UMD)
Friday, August 9th
Symposium on Autonomous Experimentation	Theory and Robot Science Chair: Ichiro Takeuchi University of Maryland 9:00am Kirthevasan Kandasamy UC Berkeley Bayesian Optimisation and Design of Experiments: Applications in Materials Science, Drug Discovery, and Astrophysics 9:30am Loic Roch Univ. of Toronto Self-driving laboratories with ChemOS 10:00am David Yaron CMU Neural Networks that Do Quantum Chemistry 10:30am Coffee Break 11:00am Keith Brown Boston University A Bayesian Experimental Autonomous Researcher for Mechanical Design 11:30am Michael Otte UMD An Emergent Group Mind Across A Swarm of Robots: Collective Cognition and Distributed Sensing via a Shared Wireless Neural Network 12:00pm Lunch Autonomous Approach to High-throughput Experimentation Chair: A. Gilad Kusne NIST 1:00pm Michael Krein Lockheed Martin Automating materials process discovery and optimization: a transition perspective 1:30pm Brian DeCost NIST Autonomous acquisition of composition-temperature phase diagrams via active factorization of X-ray diffraction data 2:00pm Voramon Dheeradhada GE The role of machine learning in acceleration of parameter development for Nickel alloys in power bed fusion 2:30pm R. Bruce van Dover Cornell Autonomous Agents Integrate Materials Theory, Experiment and Computation 3:00pm Coffee Break 3:30pm Valentin Stanev UMD Active and Cooperative Learning in High-Throughput Materials Studies 4:00pm Panel Discussion 4:45pm Wrap up & Closing Remarks 5:00pm Departure

Monday, August 5th

Introduction to Python and Data Preprocessing

Alex Belianinov (ORNL)

7:30am Breakfast and Registration
8:30am Welcome and announcements
8:45am Introduction and basics of python
10:00am Coffee break
10:30am Continue
12:00pm Lunch
1:00pm Background subtraction and data preprocessing
2:30pm Coffee break
3:00pm Continue
5:00pm Reception Monday night

Tuesday, August 6th

Unsupervised Machine Learning

A. Gilad Kusne (NIST)

7:30am Breakfast and Registration
8:30am Unsupervised machine learning
10:00am Coffee break
10:30am Continue
12:00pm Lunch
1:00pm Continue unsupervised machine learning
2:30pm Coffee break
3:00pm Continue

Wednesday, August 7th

Supervised Machine Learning

Daniel Samarov (NIST)

7:30am Breakfast and Registration
8:30am Supervised machine learning
10:00am Coffee break
10:30am Continue
12:00pm Lunch
1:00pm Continue supervised machine learning
2:30pm Coffee break
3:00pm Continue
5:00pm Poster session
6:00pm Banquet dinner

Thursday, August 8th

Gaussian Processes and Active Learning, Computational Approaches and Databases

7:30am Breakfast and Registration
8:30am Gaussian Processes Daniel Samarov (NIST)
10:00am Coffee break
10:30am Active Learning A. Gilad Kusne (NIST)
12:00pm Lunch
1:00pm Introduction and Applications of AFLOW Cormac Toher, Cory Oses, David Hicks, and Marco Esters (Duke)
2:30pm Coffee break
3:00pm AFLOW continued Cormac Toher, Cory Oses, David Hicks, and Marco Esters (Duke)
4:30pm Data Mining of Experimental Databases Valentin Stanev (UMD)

Friday, August 9th

Symposium on Autonomous Experimentation

Theory and Robot Science

Chair: Ichiro Takeuchi

University of Maryland

9:00am

Kirthevasan Kandasamy

UC Berkeley

Bayesian Optimisation and Design of Experiments: Applications in Materials Science, Drug Discovery, and Astrophysics

9:30am

Loic Roch

Univ. of Toronto

Self-driving laboratories with ChemOS

10:00am

David Yaron

CMU

Neural Networks that Do Quantum Chemistry

10:30am

Coffee Break

11:00am

Keith Brown

Boston University

A Bayesian Experimental Autonomous Researcher for Mechanical Design

11:30am

Michael Otte

UMD

An Emergent Group Mind Across A Swarm of Robots: Collective Cognition and Distributed Sensing via a Shared Wireless Neural Network

12:00pm

Lunch

Autonomous Approach to High-throughput Experimentation

Chair: A. Gilad Kusne

NIST

1:00pm

Michael Krein

Lockheed Martin

Automating materials process discovery and optimization: a transition perspective

1:30pm

Brian DeCost

NIST

Autonomous acquisition of composition-temperature phase diagrams via active factorization of X-ray diffraction data

2:00pm

Voramon Dheeradhada

The role of machine learning in acceleration of parameter development for Nickel alloys in power bed fusion

2:30pm

R. Bruce van Dover

Cornell

Autonomous Agents Integrate Materials Theory, Experiment and Computation

3:00pm

Coffee Break

3:30pm

Valentin Stanev

UMD

Active and Cooperative Learning in High-Throughput Materials Studies

4:00pm

Panel Discussion

4:45pm

Wrap up & Closing Remarks

5:00pm

Departure

MACHINE LEARNING FOR MATERIALS RESEARCH BOOTCAMP 2019 & WORKSHOP ON AUTONOMOUS MATERIALS RESEARCH