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Found 3 papers, 1 papers with code
Domain Knowledge Injection in Bayesian Search for New Materials
In this paper we propose DKIBO, a Bayesian optimization (BO) algorithm that accommodates domain knowledge to tune exploration in the search space.
Cluster Exploration using Informative Manifold Projections
Dimensionality reduction (DR) is one of the key tools for the visual exploration of high-dimensional data and uncovering its cluster structure in two- or three-dimensional spaces.
HypBO: Accelerating Black-Box Scientific Experiments Using Experts' Hypotheses
Here, we exploit expert human knowledge in the form of hypotheses to direct Bayesian searches more quickly to promising regions of chemical space.
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