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Paper · arXiv

Acquisition Function-Guided Generation for Bayesian Optimization over Discrete Spaces

Bayesian optimization (BO) over discrete spaces is challenging due to missing gradients and the sparsity of valid solutions. Latent-space BO sidesteps both issues by fitting a surrogate in the latent space of a generative model, which however substantially complicates the direct incorporation of domain knowledge that is naturally expressed in the original discrete space. In this work, we instead combine a pretrained generative model with a surrogate defined directly in data space, where inductive biases such as domain-specific kernels can be readily incorporated. Rather than maximizing the acquisition function over the discrete design space, our method samples candidates from the generati...

AuthorsTommaso Ancilli, Thomas Wedenig, Henry Moss et al.
Primary categorycs.LG
Published16 October 2026
Last updated at source16 October 2026
cs.LG
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