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A method for efficient Bayesian optimization of self-assembly systems from scattering data.

Marcus ThomasRussell Schwartz
Published in: BMC systems biology (2018)
We present a flexible approach for the global optimization of computationally costly objective functions associated with dynamic, multidimensional models. When applied to the stochastic viral capsid system, our method outperforms a current state of the art black box solver tailored for use with noisy objectives. Our approach also has wide applicability to general stochastic optimization problems.
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