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Abstract: Machine learning algorithms are often described solely in terms of their predictive capabilities, and not utilized in a descriptive fashion. This “black box” approach stands in contrast to traditional physical theories, which are generated primarily to describe the world, and use prediction as a means of validation. I will describe one case study where this dichotomy between prediction and description breaks down. While attempting to model protein dynamics using master equation models — known in physics since the early 20th century — it was discovered that there was a homology between these models and Hidden Markov Models (HMMs), a common machine learning technique. By adopting fitting procedures for HMMs, we were able to model large scale simulations of protein dynamics and interpret them as physical master equations, with implications for protein folding, signal transduction, and allosteric modulation.
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Date: Aug 31, 2016
Speakers: Apurva Mehta
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