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Gaussian Process Regression for Surface Interpolation
Online Presentations | 22 Nov 2022 | Contributor(s):: Zhiqiao Dong, Manan Mehta
This tutorial will introduce the fundamentals of GPR and its application to surface interpolation. We will also introduce a new technique called filtered kriging (FK), which uses a pre-filter to improve interpolation performance.
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No-code ML models
Tools | 18 Oct 2022 | Contributor(s):: Juan Carlos Verduzco Gastelum, Alejandro Strachan
No-code ML models
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Machine Learning Predicts Additive Manufacturing Part Quality: Tutorial on Support Vector Regression
Online Presentations | 26 Aug 2022 | Contributor(s):: Davis McGregor
This tutorial introduces and demonstrates the use of machine learning (ML) to address this need. Using data collected from an AM factory, you will train a support vector regression (SVR) model to predict the dimensions of AM parts based on the design geometry and manufacturing parameters.
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SVR Machine Learning Workshop
Tools | 08 Aug 2022 | Contributor(s):: Davis McGregor
Introductory tutorial on support vector regression (SVR) machine learning, cross validation, and hyperparameter tuning.
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A Machine Learning Aided Hierarchical Screening Strategy for Materials Discovery
Online Presentations | 09 Sep 2021 | Contributor(s):: Anjana Talapatra
In this tutorial, we illustrate this approach using the example of wide band gap oxide perovskites. We will sequentially search a very large domain space of single and double oxide perovskites to identify candidates that are likely to be formable, thermodynamically stable, exhibit insulator...
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Active Learning via Bayesian Optimization for Materials Discovery
Online Presentations | 25 Jun 2021 | Contributor(s):: Hieu Doan, Garvit Agarwal
In this tutorial, we will demonstrate the use of active learning via Bayesian optimization (BO) to identify ideal molecular candidates for an energy storage application.
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An Introduction to Machine Learning for Materials Science: A Basic Workflow for Predicting Materials Properties
Online Presentations | 25 Jun 2021 | Contributor(s):: Benjamin Afflerbach
This tutorial will introduce core concepts of machine learning through the lens of a basic workflow to predict material bandgaps from material compositions.
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Bayesian optimization tutorial using Jupyter notebook
Tools | 11 Jun 2021 | Contributor(s):: Hieu Doan, Garvit Agarwal
Active learning via Bayesian optimization for materials discovery
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Machine Learning Framework for Impurity Level Prediction in Semiconductors
Online Presentations | 15 Dec 2020 | Contributor(s):: Arun Kumar Mannodi Kanakkithodi
In this work, we perform screening of functional atomic impurities in Cd-chalcogenide semiconductors using high-throughput computations and machine learning.
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Machine Learning Defect Behavior in Semiconductors
Tools | 10 Nov 2020 | Contributor(s):: Arun Kumar Mannodi Kanakkithodi, Rushik Desai (editor)
Develop machine learning models to predict defect formation energies in chalcogenides
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Hands-On Data Science and Machine Learning in Undergraduate Education
Courses | 07 Oct 2020 | Contributor(s):: Alejandro Strachan, Saaketh Desai, Juan Carlos Verduzco Gastelum, Michael N Sakano, Zachary D McClure, Joseph M. Cychosz, Jared Gray West
This series of modules introduce key concepts in data science in the context of application in materials science and engineering.
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Apr 14 2020
Supervised learning part 1: linear regression and neural networks
Topics covered in this session:Simple regressionDeveloping and training neural networksOrganizers: Alejandro Strachan, Saaketh DesaiLeader: Saaketh DesaiRegister for this seminarHands-on data...
https://nanohub.org/events/details/1848
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Apr 13 2020
Supervised learning part 1: linear regression and neural networks
Topics covered in this session:Simple regressionDeveloping and training neural networksOrganizers: Alejandro Strachan, Saaketh DesaiLeader: Saaketh DesaiRegister for this seminarHands-on data...
https://nanohub.org/events/details/1842
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Cluster Optimization BGO 01
Tools | 29 Jul 2015 | Contributor(s):: Ilias Bilionis, Yinuo Li
Cluster Optimization Using Bayesian Global Optimization
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Gaussian process regression in 1D
Tools | 26 Nov 2014 | Contributor(s):: Ilias Bilionis, Alejandro Strachan, Benjamin P Haley, Martin Hunt, Rohit Kaushal Tripathy, Sam Reeve
Use Gaussian processes to represent x-y data
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Bayesian Calibration
Tools | 18 Feb 2014 | Contributor(s):: Martin Hunt, Benjamin P Haley, Jan Ebinger, Alejandro Strachan
Given a model, input data for some paramaters and output data, calibrate unknown input parameters
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IMA 2013 UQ: Bayesian Approaches for Spatial- Stochastic Basis Selection: Applications to Fuel Cell Predictive Modeling
Online Presentations | 13 Mar 2014 | Contributor(s):: Guang Lin
In this talk, two fully Bayesian methods (Bayesian uncertainty method and Bayesian mixture procedure) will be introduced that can evaluate generalized Polynomial Chaos (gPC) expansions in both stochastic and spatial domains when the number of the available basis functions is significantly larger...