This paper reviews recent advances in the field of optimization under uncertainty via a modern data lens, highlights key research challenges and promise of data-driven optimization that organically integrates machine learning and mathematical programming for decision-making under uncertainty, and identifies potential research opportunities. A brief review of classical mathematical programming techniques for hedging against uncertainty is first presented, along with their wide spectrum of applications in Process Systems Engineering. A comprehensive review and classification of the relevant publications on data-driven distributionally robust optimization, data-driven chance constrained program, data-driven robust optimization, and data-driven scenario-based optimization is then presented. This paper also identifies fertile avenues for future research that focuses on a closed-loop data-driven optimization framework, which allows the feedback from mathematical programming to machine learning, as well as scenario-based optimization leveraging the power of deep learning techniques. Perspectives on online learning-based data-driven multistage optimization with a learning-while-optimizing scheme is presented.

A novel data-driven stochastic robust optimization (DDSRO) framework is proposed for optimization under uncertainty leveraging labeled multi-class uncertainty data. Uncertainty data in large datasets are often collected from various conditions, which are encoded by class labels. Machine learning methods including Dirichlet process mixture model and maximum likelihood estimation are employed for uncertainty modeling. A DDSRO framework is further proposed based on the data-driven uncertainty model through a bi-level optimization structure. The outer optimization problem follows a two-stage stochastic programming approach to optimize the expected objective across different data classes; adaptive robust optimization is nested as the inner problem to ensure the robustness of the solution while maintaining computational tractability. A decomposition-based algorithm is further developed to solve the resulting multi-level optimization problem efficiently. Case studies on process network design and planning are presented to demonstrate the applicability of the proposed framework and algorithm.