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