Doctoral Theses: Recent submissions
Now showing items 43-45 of 22893
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The Changing Role of Reactive Nitrogen in the Troposphere
(Massachusetts Institute of Technology, 2025-05)Nitrogen is the most abundant molecule in the Earth’s atmosphere and is one of the essential ingredients for life as we know it. Human activities, especially over the last century, have radically perturbed the natural ... -
Geometric representation learning for chemical property prediction, structure elucidation, and molecular design
(Massachusetts Institute of Technology, 2025-05)Molecular representation learning has revolutionized computer-aided chemistry by enabling the automatic extraction of arbitrarily complex patterns from datasets of (potentially labeled) molecular structures via deep neural ... -
Theoretical Foundations of Flow-based Methods for Sampling and Generative Modeling
(Massachusetts Institute of Technology, 2025-05)Sampling from an arbitrary probability distribution is a central problem in computational statistics and machine learning. Transportation of measure offers a useful approach to this problem: the idea is to construct a ...
