Leonardo Lozano

Chenbo Shi, Mohsen Emadikhiav, Leonardo Lozano et al.

There is a recent proliferation of research on the integration of machine learning and optimization. One expansive area within this research stream is predictive-model embedded optimization, which proposes the use of pre-trained predictive models as surrogates for uncertain or highly complex objective functions. In this setting, features of the predictive models become decision variables in the optimization problem. Despite a recent surge in publications in this area, only a few papers note the importance of incorporating trust region considerations in this decision-making pipeline, i.e., enforcing solutions to be similar to the data used to train the predictive models. Without such constraints, the evaluation of the predictive model at solutions obtained from optimization cannot be trusted and the practicality of the solutions may be unreasonable. In this paper, we provide an overview of the approaches appearing in the literature to construct a trust region, and propose three alternative approaches. Our numerical evaluation highlights that trust-region constraints learned through isolation forests, one of the newly proposed approaches, outperform all previously suggested approaches, both in terms of solution quality and computational time.

Keliang Wang, Leonardo Lozano, Carlos Cardonha et al.

We study optimization problems where the objective function is modeled through feedforward neural networks with rectified linear unit (ReLU) activation. Recent literature has explored the use of a single neural network to model either uncertain or complex elements within an objective function. However, it is well known that ensembles of neural networks produce more stable predictions and have better generalizability than models with single neural networks, which motivates the investigation of ensembles of neural networks rather than single neural networks in decision-making pipelines. We study how to incorporate a neural network ensemble as the objective function of an optimization model and explore computational approaches for the ensuing problem. We present a mixed-integer linear program based on existing popular big-M formulations for optimizing over a single neural network. We develop a two-phase approach for our model that combines preprocessing procedures to tighten bounds for critical neurons in the neural networks with a Lagrangian relaxation-based branch-and-bound approach. Experimental evaluations of our solution methods suggest that using ensembles of neural networks yields more stable and higher quality solutions, compared to single neural networks, and that our optimization algorithm outperforms (the adaption of) a state-of-the-art approach in terms of computational time and optimality gaps.