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We present a probabilistic modeling framework and adaptive sampling algorithm wherein unsupervised generative models are combined with black box predictive models to tackle the problem of input design. In input design, one is given one or more stochastic oracle predictive functions, each of which maps from the input design space (e.g. DNA sequences or images) to a distribution over a property of interest (e.g. protein fluorescence or image content). Given such stochastic oracles, the problem is to find an input that is expected to maximize one or more properties, or to achieve a specified value of one or more properties, or any combination thereof. We demonstrate experimentally that our approach substantially outperforms other recently presented methods for tackling a specific version of this problem, namely, maximization when the oracle is assumed to be deterministic and unbiased. We also demonstrate that our method can tackle more gener
We present a new method for design problems wherein the goal is to maximize or specify the value of one or more properties of interest. For example, in protein design, one may wish to find the protein sequence that maximizes fluorescence. We assume a
Data-driven design is making headway into a number of application areas, including protein, small-molecule, and materials engineering. The design goal is to construct an object with desired properties, such as a protein that binds to a therapeutic ta
Reducing the variance of the gradient estimator is known to improve the convergence rate of stochastic gradient-based optimization and sampling algorithms. One way of achieving variance reduction is to design importance sampling strategies. Recently,
Monte Carlo methods represent the de facto standard for approximating complicated integrals involving multidimensional target distributions. In order to generate random realizations from the target distribution, Monte Carlo techniques use simpler pro
We describe a novel neural network architecture for the prediction of ventricular tachyarrhythmias. The model receives input features that capture the change in RR intervals and ectopic beats, along with features based on heart rate variability and f