AIMech AI

Predictive entropy search for multi-objective Bayesian optimization with constraints

Algorithms AIMech:PredictiveEntropySearchForMultiObjectiveOptimizationWithConstraints DRAFT
A Bayesian optimization algorithm for multiple objectives and unknown constraints that selects evaluations using approximate information gain about the feasible Pareto set, estimated through sampled feasible Pareto representatives and task-factorized Gaussian expectation propagation.
Identity Notes & Concept Scope PESMOC targets a feasible Pareto set through objective dominance and constraint-feasibility factors. This differs from unconstrained PESMO and from scalar PESC even though the methods share approximate predictive-entropy reasoning. The single-query mechanism is distinct from the joint-batch covariance construction of PPESMOC. Version-specific paper, appendix and implementation limitations remain explicit.

Claims & Grounded Evidence

6 Claims
Mechanism #feasible-pareto-set-information
PESMOC selects evaluations to learn the Pareto set in input space for multiple objectives under unknown inequality constraints. In the source minimization convention, a point is feasible when every constraint c_j(x) is nonnegative; a feasible point dominates another when it is no worse in all objectives and strictly better in at least one. Assume a well-defined posterior over attained, nonempty feasible Pareto sets and finite mutual information, with ties handled explicitly. At fixed surrogate hyperparameters the ideal acquisition is I(X_star; y(x) | D), equivalently predictive entropy minus its expected value conditional on the feasible Pareto set. The implemented score approximates this target; it is not entropy of only the Pareto front or a scalar optimum value.
Mechanism #objective-and-constraint-surrogates
The method models each objective and each constraint with an independent Gaussian process and Gaussian observation noise. Conditional on fixed independent model hyperparameters, the ordinary predictive distribution factors over the objective and constraint tasks. Conditioning all tasks on a shared feasible Pareto set generally introduces dependence, which the later Gaussian projection does not retain across tasks. Averaging conditional acquisition values over sampled hyperparameters is also an approximation, rather than the entropy of the resulting predictive mixture.
Mechanism #sampled-feasible-pareto-representatives
Approximate the expectation over Pareto sets by sampling random-feature approximations to both objective and constraint posteriors. For each draw, search candidate locations, discard locations violating a sampled constraint, and retain a finite representation of the nondominated feasible locations. The paper uses a grid and discusses evolutionary search for higher dimensions. Finite features, finite search and compression of the Pareto set make these approximate samples. The paper does not specify a general acquisition policy for posterior draws with no feasible solution; relaxing a reported recommendation threshold is a separate operation.
Mechanism #finite-feasibility-and-comparison-ep
For a retained feasible Pareto-set sample, approximate the conditioning calculation on the union of sampled Pareto locations, previous evaluation locations and the candidate. Feasibility factors constrain sampled Pareto locations; comparison factors couple objective comparisons with feasibility of competing locations. Expectation propagation replaces these non-Gaussian factors by task-specific Gaussian factors: univariate constraint factors and bivariate within-objective factors for location pairs. Reuse the factors independent of the candidate and update candidate-dependent factors once in the stated approximation. This projection discards cross-task dependence and is not exact whole-domain feasible Pareto-set conditioning.
Mechanism #noisy-taskwise-variance-score
Within the factorized Gaussian approximation, each task contributes one half of its ordinary log predictive observation variance minus the sample average of its conditional log predictive observation variance. Add that task’s observation-noise variance to the latent variance in both terms and require positive logarithm arguments. Summing over objective and constraint tasks gives the coupled score. The common factor one half follows Gaussian entropy; the main acquisition display omits it, which preserves uncosted rankings but not numerical information units. Task additivity belongs to the approximation and is not generally an exact decomposition of joint feasible-Pareto mutual information.
Mechanism #coupled-and-decoupled-task-selection
In coupled use, maximize the sum of task contributions to choose one location for evaluating all objectives and constraints. When tasks can be evaluated separately, maximize their individual approximate contributions and compare the maxima to select a task and location. Coupled and decoupled selection are modes of PESMOC. The displayed comparison contains no evaluation-cost divisor and does not guarantee an optimal scheduler or lower wall-clock cost when task costs differ. Multi-location parallel batch selection requires a separate acquisition construction.

⚠️ 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 PESMOC adaptively queries informative objective and constraint evaluations. This relates to the pinned task of querying an information source, but constrained multi-objective optimization is not identical to labeling data for predictive learning. The mapping is a qualified curator assessment, not an exact match or an asserted upstream subclass relation.

Evidence Sources & Primary Literature

4 Sources
Source ID Publication / Document Type / Access Reference & Checksum
garrido2019-pesmoc
Eduardo C. Garrido-Merchan, Daniel Hernandez-Lobato
primary paper
full_text
sha256:61320cfbed37…
garrido2019-pesmoc-supplement
Eduardo C. Garrido-Merchan, Daniel Hernandez-Lobato
primary paper
full_text
sha256:2d19afc6f7d5…
garrido2016-pesmoc
Eduardo C. Garrido-Merchan, Daniel Hernandez-Lobato
primary paper
full_text
sha256:7c1637319e8d…
pesmoc-implementation
Eduardo Garrido-Merchan and Spearmint contributors
official documentation
documentation
sha256:6ac60919d376…

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/PredictiveEntropySearchForMultiObjectiveOptimizationWithConstraints.yaml