KT-EGO: A Knowledge Transfer Assisted Efficient Global Optimization Algorithm for Solving High-Dimensional Expensive Black-Box Problems

In order to solve the high-dimensional ($d \geq 30$) expensive black-box problems within budget, an efficient global optimization (EGO) algorithm with a dynamic aggregation strategy is proposed, labeled as DA-EGO. Specifically, the DA-EGO decomposes the original high-dimensional design space into a set of low-dimensional subspaces for efficient surrogate-based optimization search, and the optimal solutions of subspaces are combined as an elite point for the global search. Most importantly, the subspaces are not fixed. Instead, the subspace variables are updated in each iteration, according to the variable interaction analyses in the sub- and full-spaces. The perturbation method and the analysis of variance are used to detect variable interactions. To further accelerate the optimization progress, the searching ranges of subspaces are also adaptively adjusted according to the analyses of subspace optimization results of the previous iteration. Tests on 21 benchmark instances, comprising seven functions at 30, 60, and 90 dimensions, show that DA-EGO is effective on separable and partially separable problems under a budget of 1500 function evaluations. Its advantage is case-dependent: on the non-separable shifted Rosenbrock function, GSGA performs better at 60 and 90 dimensions, while the 30-dimensional results are statistically comparable to IKAEA and GSGA. Moreover, the advantage of DA-EGO is also seen in the aerodynamic optimization of a transonic rotor blade with 28 variables as well as the compressor stage optimization with 60 variables. With the above, the effectiveness of the proposed DA-EGO has been well demonstrated.

Expensive black-box optimization is ubiquitous in science and engineering, where function evaluations are costly and the evaluation budget is limited. Traditional evolutionary algorithms and Meta-BlackBox Optimization (MetaBBO) approaches typically consume most evaluations on candidate selection, often wasting precious budget on inferior solutions. Although surrogate-assisted evolution and Bayesian optimization aim to reduce evaluations through surrogate models, constructing an accurate global model from limited data remains challenging, and model bias can easily trap the search in local optima. To overcome these limitations, we propose NeurGO, a generative MetaBBO framework that directly synthesizes elite candidates from historical population states. Specifically, we employ an attention-based encoder to capture the population-level search trend and condition a decoder on this representation to generate high-quality candidates, avoiding the expensive evaluation of large offspring pools. We then design a quality-diversity loss to maintain solution quality and population diversity throughout the search. Through extensive benchmarking on CEC 2008 and the COCO BBOB test suites, our method achieves better optimization performance under the same evaluation budget and exhibits faster convergence.

Efficient global optimization (EGO) is one of the most widely used noise-free Bayesian optimization algorithms.It comprises the Gaussian process (GP) surrogate model and expected improvement (EI) acquisition function. In practice, when EGO is applied, a scalar matrix of a small positive value (also called a nugget or jitter) is usually added to the covariance matrix of the deterministic GP to improve numerical stability. We refer to this EGO with a positive nugget as the practical EGO. Despite its wide adoption and empirical success, to date, cumulative regret bounds for practical EGO have yet to be established. In this paper, we present for the first time the cumulative regret upper bound of practical EGO. In particular, we show that practical EGO has sublinear cumulative regret bounds and thus is a no-regret algorithm for commonly used kernels including the squared exponential (SE) and Matérn kernels ($ν>\frac{1}{2}$). Moreover, we analyze the effect of the nugget on the regret bound and discuss the theoretical implication on its choice. Numerical experiments are conducted to support and validate our findings.