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Simulated Annealing-based Candidate Optimization for Batch Acquisition Functions

arXiv 2601.07258 ↗First posted 12 Jan 2026cs.LG cond-mat.mtrl-sci stat.MLcited by 0

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Abstract (arXiv)

Bayesian Optimization with multi-objective acquisition functions such as q-Expected Hypervolume Improvement (qEHVI) requires efficient candidate optimization to maximize acquisition function values. Traditional approaches rely on continuous optimization methods like Sequential Least Squares Programming (SLSQP) for candidate selection. However, these gradient-based methods can become trapped in local optima, particularly in complex or high-dimensional objective landscapes. This paper presents a simulated annealing-based approach for candidate optimization in batch acquisition functions as an alternative to conventional continuous optimization methods. We evaluate our simulated annealing approach against SLSQP across four benchmark multi-objective optimization problems: ZDT1 (30D, 2 objectives), DTLZ2 (7D, 3 objectives), Kursawe (3D, 2 objectives), and Latent-Aware (4D, 2 objectives). Our results demonstrate that simulated annealing consistently achieves superior hypervolume performance compared to SLSQP in most test functions. The improvement is particularly pronounced for DTLZ2 and Latent-Aware problems, where simulated annealing reaches significantly higher hypervolume values and maintains better convergence characteristics. The histogram analysis of objective space coverage further reveals that simulated annealing explores more diverse and optimal regions of the Pareto front. These findings suggest that metaheuristic optimization approaches like simulated annealing can provide more robust and effective candidate optimization for multi-objective Bayesian optimization, offering a promising alternative to traditional gradient-based methods for batch acquisition function optimization.

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References · 3

  1. 2023Unexpected Improvements to Expected Improvement for Bayesian Optimizationcited by 144
  2. 2021Parallel Bayesian Optimization of Multiple Noisy Objectives with Expected Hypervolume Improvementcited by 115
  3. 2022Bayesian Optimization over Discrete and Mixed Spaces via Probabilistic Reparameterizationcited by 35

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