mlsanityData to 14 Oct 2026

Generative Models as Adaptive Trust Regions for Discrete Bayesian Optimisation

arXiv 2610.16992 ↗First posted 12 Oct 2026cs.LGcited by 0

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Abstract (arXiv)

Bayesian optimisation (BO) is a powerful framework for sample-efficient optimisation of expensive black-box functions, but its application to high-dimensional discrete scientific design remains challenging. Local trust-region BO methods such as TuRBO address high dimensionality by restricting search to adaptively sized neighbourhoods. However, a direct discrete analogue based on edit distance can be poorly suited to structured discrete objects: neighbourhoods grow combinatorially, and metric proximity does not capture the dependencies that determine whether a design is plausible or useful. Motivated by the growing availability of pretrained generative models, we introduce GenTuRBO, which replaces the geometric trust region with an adaptively scaled proposal distribution defined by a pretrained generator. The generator provides a learned prior over discrete transformations, encoding coordinated changes without explicitly enumerating edit-distance neighbourhoods. GenTuRBO performs strongly across all three domains and achieves the highest mean final scores on Ehrlich sequence optimisation and Sokoban coordination.

Key facts. No citing papers in the map yet (data through 14 Oct 2026). Builds on 22 of its 37 references that are in the map. First posted on arXiv 12 Oct 2026.

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References · 22

  1. 2022Flow Matching for Generative Modelingcited by 5,702
  2. 2021SDEdit: Guided Image Synthesis and Editing with Stochastic Differential Equationscited by 1,937
  3. 2021Structured Denoising Diffusion Models in Discrete State-Spacescited by 1,719
  4. 2022RePaint: Inpainting using Denoising Diffusion Probabilistic Modelscited by 1,430
  5. 2019Scalable Global Optimization via Local Bayesian Optimizationcited by 374
  6. 2024Generative Flows on Discrete State-Spaces: Enabling Multimodal Flows with Applications to Protein Co-Designcited by 305
  7. 2023Protein Design with Guided Discrete Diffusioncited by 157
  8. 2020Sample-Efficient Optimization in the Latent Space of Deep Generative Models via Weighted Retrainingcited by 123
  9. 2022Accelerating Bayesian Optimization for Biological Sequence Design with Denoising Autoencoderscited by 102
  10. 2019Combinatorial Bayesian Optimization using the Graph Cartesian Productcited by 79
  11. 2019An investigation of model-free planningcited by 66
  12. 2020AdaLead: A simple and robust adaptive greedy search algorithm for sequence designcited by 65
10 more
  1. 2024Isambard-AI: a leadership class supercomputer optimised specifically for Artificial Intelligencecited by 62
  2. 2021Think Global and Act Local: Bayesian Optimisation over High-Dimensional Categorical and Mixed Search Spacescited by 53
  3. 2022GAUCHE: A Library for Gaussian Processes in Chemistrycited by 41
  4. 2023Bounce: Reliable High-Dimensional Bayesian Optimization for Combinatorial and Mixed Spacescited by 28
  5. 2023Improving Protein Optimization with Smoothed Fitness Landscapescited by 21
  6. 2025Return of the Latent Space COWBOYS: Re-thinking the use of VAEs for Bayesian Optimisation of Structured Spacescited by 14
  7. 2024Kermut: Composite kernel regression for protein variant effectscited by 12
  8. 2024Generalists vs. Specialists: Evaluating LLMs on Highly-Constrained Biophysical Sequence Optimization Taskscited by 10
  9. 2024Closed-Form Test Functions for Biophysical Sequence Optimization Algorithmscited by 8
  10. 2026Solvable Sokoban Without a Solver via Diffusioncited by 1

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