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08/15/2023
Probabilistic Phase Labeling and Lattice Refinement for Autonomous Material Research
X-ray diffraction (XRD) is an essential technique to determine a materia...
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03/03/2023
Bayesian Optimization over High-Dimensional Combinatorial Spaces via Dictionary-based Embeddings
We consider the problem of optimizing expensive black-box functions over...
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06/16/2022
Scalable First-Order Bayesian Optimization via Structured Automatic Differentiation
Bayesian Optimization (BO) has shown great promise for the global optimi...
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12/02/2021
Constrained Machine Learning: The Bagel Framework
Machine learning models are widely used for real-world applications, suc...
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08/21/2021
Automating Crystal-Structure Phase Mapping: Combining Deep Learning with Constraint Reasoning
Crystal-structure phase mapping is a core, long-standing challenge in ma...
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06/11/2021
Sparse Bayesian Learning via Stepwise Regression
Sparse Bayesian Learning (SBL) is a powerful framework for attaining spa...
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06/08/2021
The Fast Kernel Transform
Kernel methods are a highly effective and widely used collection of mode...
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01/19/2021
Autonomous synthesis of metastable materials
Autonomous experimentation enabled by artificial intelligence (AI) offer...
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09/07/2020
Efficient Projection Algorithms onto the Weighted l1 Ball
Projected gradient descent has been proved efficient in many optimizatio...
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06/03/2019
Deep Reasoning Networks: Thinking Fast and Slow
We introduce Deep Reasoning Networks (DRNets), an end-to-end framework t...
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02/14/2019