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Life sciences · Preprint
arXiv · October 8, 2026
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Bayesian optimisation is the natural tool for shape design when objectives are expensive and non-differentiable, but it needs a compact yet expressive parameterisation of the search space. Hand-crafting one is a complex endeavour requiring domain expertise, and often yields implicit infeasible regions, artificial bounds, and coupled, unordered coordinates. We instead learn the parameterisation from a collection of existing designs, applying principal component analysis to the deformations between shapes. The result is a linear, interpretable search space in which the number of components explicitly trades expressivity against dimensionality. Across aerofoils, wings, and radio-frequency cavities, spanning 2D geometry to 3D aerodynamics and electromagnetics, we show improved sample efficiency and the ability to explore beyond the confines of hand-crafted baselines.