liveBook · Manning

Constraint-aware bayesopt policy

As explained in Bayesian Optimization in Action

Constrained Bayesian optimization is Bayesian optimization that models and accounts for constraints when selecting candidate evaluations.

A constraint-aware Bayesian optimization policy selects evaluations by balancing objective quality with practical feasibility. It targets the best feasible point rather than the unconstrained global optimum, which may be too costly, dangerous, or impractical to use. section 8.0 section 8.6

The method proceeds by modeling constraints and incorporating them into acquisition decisions:

  • Classify points that satisfy every constraint as feasible and points that violate one or more constraints as infeasible. section 8.6
  • Train a Gaussian process on each function defining a constraint, alongside the Gaussian process for the objective. section 8.6
  • Estimate the probability that a candidate is feasible from the constraint GPs’ normal predictive distributions. section 8.6
  • Modify expected improvement by incorporating feasibility probability into its acquisition score, balancing objective improvement against constraint satisfaction. section 8.6

Neural-network architecture tuning

Increasing network depth may improve accuracy while making training or deployment too expensive. A constraint-aware policy therefore searches for high-accuracy architectures that remain computationally feasible instead of pursuing the unconstrained accuracy maximum. section 8.0

How Bayesian Optimization in Action covers it

How deep it goes
Develops feasibility modeling and constrained expected improvement, then identifies required BoTorch inputs without detailing implementation code.
Examples
Uses neural-network architecture tuning and scientific discovery involving drugs, glass, and metals.
What it assumes
Assumes Bayesian optimization and Gaussian-process modeling while defining feasible and infeasible points explicitly.
What you can do after
Apply it via BoTorch by supplying objective and constraint GPs plus constraint lower and upper bounds.
How it connects
Connects Bayesian optimization with Gaussian processes, expected improvement, hyperparameter tuning, and constrained optimization.

Related concepts

This explainer was generated by Manning's knowledge graph from the text of Bayesian Optimization in Action. The section links point to the parts of the book it draws on.