We Still Don't Understand High-Dimensional Bayesian Optimization

arXiv — stat.MLTuesday, December 2, 2025 at 5:00:00 AM
  • Recent research highlights the challenges of high-dimensional Bayesian optimization (BO), revealing that traditional methods may be outperformed by simpler approaches like Bayesian linear regression. This study shows that Gaussian processes with linear kernels can achieve state-of-the-art performance in high-dimensional search spaces, particularly in molecular optimization tasks with extensive data.
  • The findings suggest a paradigm shift in the understanding of Bayesian optimization, emphasizing the potential of linear models over more complex non-parametric methods. This could lead to more efficient optimization strategies in various fields, including molecular design and machine learning.
  • The exploration of linear regression's effectiveness in high-dimensional settings raises questions about the reliance on complex models in optimization tasks. It aligns with ongoing discussions in the field regarding the balance between model complexity and computational efficiency, as well as the implications for privacy in linear regression models under certain constraints.
— via World Pulse Now AI Editorial System

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