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Standard Gaussian Process is All You Need for High-Dimensional Bayesian Optimization

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arxiv 2402.02746 v5 pith:R3F4ESWQ submitted 2024-02-05 cs.LG stat.ML

classification cs.LGstat.ML
keywords standardhigh-dimensionaloptimizationkernelbayesianbeliefboundgaussian
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A long-standing belief holds that Bayesian Optimization (BO) with standard Gaussian processes (GP) -- referred to as standard BO -- underperforms in high-dimensional optimization problems. While this belief seems plausible, it lacks both robust empirical evidence and theoretical justification. To address this gap, we present a systematic investigation. First, through a comprehensive evaluation across twelve benchmarks, we found that while the popular Square Exponential (SE) kernel often leads to poor performance, using Mat\'ern kernels enables standard BO to consistently achieve top-tier results, frequently surpassing methods specifically designed for high-dimensional optimization. Second, our theoretical analysis reveals that the SE kernel's failure primarily stems from improper initialization of the length-scale parameters, which are commonly used in practice but can cause gradient vanishing in training. We provide a probabilistic bound to characterize this issue, showing that Mat\'ern kernels are less susceptible and can robustly handle much higher dimensions. Third, we propose a simple robust initialization strategy that dramatically improves the performance of the SE kernel, bringing it close to state-of-the-art methods, without requiring additional priors or regularization. We prove another probabilistic bound that demonstrates how the gradient vanishing issue can be effectively mitigated with our method. Our findings advocate for a re-evaluation of standard BO's potential in high-dimensional settings.

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Cited by 1 Pith paper

Reviewed papers in the Pith corpus that reference this work. Sorted by Pith novelty score. OpenAlex reports about 2 citations worldwide. Full citation record

  1. Multifidelity-Augmented Gaussian Process Inputs for Surrogate Modeling from Scarce Data

    stat.ML 2026-03 conditional novelty 6.0 of 10

    Augmenting a high-fidelity GP's inputs with predictions from all low-fidelity surrogates improves accuracy and cuts cost versus cokriging and autoregressive multifidelity GPs on scarce-data problems.

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