Hands-on Introduction to Data & Machine Learning in Science and Engineering
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Abstract
This hands-on tutorial will introduce participants to modern tools to manage, organize, and visualize data as well as machine learning techniques to extract information from it. We will discuss introductory activities designed to introduce undergraduate students to data science and advanced topics. Participants will use APIs to query online repositories, organize and process the resulting data, and use it to build predictive models. The activities will include building artificial neural networks and random forests, training them with the data acquired and using these models to make decisions. We will exemplify how active learning can be used to reduce the number of experiments required to arrive at a desired design goal. All simulations will be performed using Jupyter notebooks via nanoHUB and will make use of several online data repositories.
Tools highlighted in this presentation can be found at:
Nanomaterial Mechanics Explorer
DFT Material Properties Simulator
Polymer Modeler
Citrine Tools for Materials Informatics
Bio
Alejandro Strachan is a Professor of Materials Engineering at Purdue University and the Deputy Director of NSF’s Network for Computational Nanotechnology, home of nanoHUB. Before joining Purdue, he was a Staff Member in the Theoretical Division of Los Alamos National Laboratory and worked as a Postdoctoral Scholar and Scientist at Caltech. He received a Ph.D. in Physics from the University of Buenos Aires, Argentina. Prof. Strachan’s research focuses on the development of predictive atomistic and multiscale models to describe materials from first principles and their application to problems of technological importance. His group uses these tools to understand how materials work and use this insight to design new materials combining simulation and experimental results with data science tools. Application areas of interest include: high-energy density and active materials, metallic alloys for high-temperature applications, materials and devices for nanoelectronics and energy, as well as polymers and their composites. Prof. Strachan has published over 150 peer-reviewed scientific papers and his contributions to research have been recognized by the Early Career Faculty Fellow Award from TMS in 2009 and his induction as a Purdue University’s Faculty Scholar (2012-2017). His contributions to education have been recognized with the Schuhmann Best Undergraduate Teacher Award from the School of Materials Engineering, Purdue University, in 2007 and 2017.
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