Generative machine learning approaches to optimization

25 April 2025, Version 2
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

Solving optimization problems, especially for nonlinear and constrained systems, is a challenge. Decades of specialized algorithms have been developed for general and special cases of root finding, minimization (including constraints), for parameter estimation, and mapping connected spaces. These approaches typically require a model, or set of equations, and then analytical, or iterative numerical approaches can be used to find a solution, and in some special cases a globally best solution can be found and proven. In this work we present an alternative approach to solving these problems that is based in generative machine learning models. The idea is these models either estimate a joint probability distribution of input and output variables, or are able to transform a distribution of inputs to a distribution of outputs (or vice versa). Then, by suitable conditioning (specifying desired properties of some variables), the solutions to these problems can be obtained by sampling the distribution, or by transformation of a distribution sample to the solution space. We illustrate the approach with Gaussian mixture models, which approximate the joint probability distribution. We show examples in root finding, unconstrained and constrained optimization, parameter estimation and mapping input and output spaces. This work is intended to be pedagogical to show how a generative model can be used to solve problems in optimization. We discuss some limitations of this approach, but conclude the approach has promise and is different than existing approaches.

Keywords

optimization
generative machine learning

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