AIMech AI

Efficient Global Optimization

Algorithms AIMech:EfficientGlobalOptimization DRAFT
The original sequential optimization algorithm of Jones, Schonlau and Welch for expensive deterministic scalar functions on bounded continuous boxes, combining a space-filling initial design, fitted and diagnostically assessed DACE response models, expected-improvement acquisition search, objective evaluation and model refitting.
Identity Notes & Concept Scope EGO is the original sequential procedure for expensive deterministic objectives, combining a design, Kriging model fitting, expected-improvement maximization and stopping. It is not just the EI functional. Existing SMAC uses a random-forest configuration model and instance intensification; ES/PES use optimizer-information acquisitions. Efficient Global Optimization in later paper titles does not establish identity with the original Jones procedure.

Claims & Grounded Evidence

6 Claims
Mechanism #space-filling-initial-design
The original EGO procedure begins with evaluations of an expensive deterministic scalar objective on a bounded rectangular search region using a space-filling Latin-hypercube design. The described design search aims at nearly uniform one- and two-dimensional projections. These initial evaluations supply the data for the first DACE fit; the suggested initial sample size is a heuristic, not a defining fixed count or convergence condition.
Mechanism #plug-in-dace-surrogate
Fit a constant-mean DACE response model with a product-exponential distance correlation, exp(-sum_h theta_h |x_h - x_prime_h|^p_h). Maximum likelihood estimates its parameters. The predictor uses the correlation matrix R and candidate correlation vector r; its prediction-error expression includes the constant-mean estimation term. The ordinary-inverse formulas require nonsingular R. Estimated correlation and process-variance parameters are plugged in rather than fully integrated out.
Mechanism #diagnostics-and-response-scale
Inspect cross-validated predictions and standardized residuals before the sequential search. In the stated practical leave-one-out procedure, covariance parameters fitted to the full sample are retained. If diagnostics are unsatisfactory, refit after a suitable response transformation, such as the displayed log or reciprocal transformations on their applicable domains. Continue on the chosen response scale only if diagnostics are satisfactory; the source would abandon the method if no satisfactory transformation were found.
Mechanism #expected-improvement-box-search
Choose an evaluation location by maximizing Gaussian expected improvement below the best observed value on the modeled response scale. The full acquisition search uses rectangular branch and bound: a lower bound on predictive mean and an upper bound on predictive standard deviation provide an EI upper bound. The paper derives surrogate bounds through relaxations of the correlation constraints. Its implemented strong predictor-bound construction and reported examples use p_h = 2; this does not establish a ready implementation for every correlation exponent.
Mechanism #evaluate-refit-and-stop
Evaluate the objective at the selected location, augment the data and re-estimate the DACE parameters by maximum likelihood before the next acquisition. A tolerance on maximum expected improvement controls stopping. The reported relative-change rule and its log-scale approximation are heuristics: one-step expected gain under a fitted surrogate is not a certificate of the true error or the total gain available from all further evaluations.
Scope #limited-memory-acquisition-variant
The reported six-dimensional Hartman run does not use the full acquisition search to convergence. It retains only the best 50 branch-and-bound nodes, caps that search at 500 iterations, then refines the result by local search. The source explicitly recognizes that this limited-memory variant can miss the true EI maximum. Its behavior must be distinguished from the full bounding procedure; the stated numerical limits are experimental settings, not a definition of every EGO run.

⚠️ Curated Limitations & Negative Results

Artificial Intelligence Ontology (AIO) Grounding

Mapped AIO Classes
AIO Target Class Mapping Relation Mapping Rationale
AIO:ActiveLearning
Active Learning
related_match Original EGO adaptively queries an objective and updates a data-derived response model, relating it to the pinned concept of querying an information source for outputs. Deterministic black-box optimization is not identical to a data-labeling task, and this qualified association imposes neither an annotation requirement nor an upstream subclass or exact-match assertion.

Evidence Sources & Primary Literature

1 Source
Source ID Publication / Document Type / Access Reference & Checksum
jones1998
Donald R. Jones, Matthias Schonlau, William J. Welch
primary paper
full_text
ID: doi:10.1023/A:1008306431147
sha256:356260d0303a…

Curation Provenance

Curator: Codex
Method: ai_assisted
Model: GPT-6
Created: 2026-10-15T04:14:51Z
Updated: 2026-10-15T04:14:51Z
Source File: data/curated/EfficientGlobalOptimization.yaml