Nonlinear Optimization with GPU-Accelerated Neural Network Constraints

We propose a reduced-space formulation for optimizing over trained neural networks where the network's outputs and derivatives are evaluated on a GPU. To do this, we treat the neural network as a "gray box" where intermediate variables and constraints are not exposed to the optimization solver. Compared to the full-space formulation, in which intermediate variables and constraints are exposed to the optimization solver, the reduced-space formulation leads to faster solves and fewer iterations in an interior point method. We demonstrate the benefits of this method on two optimization problems: Adversarial generation for a classifier trained on MNIST images and security-constrained optimal power flow with transient feasibility enforced using a neural network surrogate.

Formulations and scalability of neural network surrogates in nonlinear optimization problems

We compare full-space, reduced-space, and gray-box formulations for representing trained neural networks in nonlinear constrained optimization problems. We test these formulations on a transient stability-constrained, security-constrained alternating current optimal power flow (SCOPF) problem where the transient stability criteria are represented by a trained neural network surrogate. Optimization problems are implemented in JuMP and trained neural networks are embedded using a new Julia package: MathOptAI.jl. To study the bottlenecks of the three formulations, we use neural networks with up to 590 million trained parameters. The full-space formulation is bottlenecked by the linear solver used by the optimization algorithm, while the reduced-space formulation is bottlenecked by the algebraic modeling environment and derivative computations. The gray-box formulation is the most scalable and is capable of solving with the largest neural networks tested. It is bottlenecked by evaluation of the neural network's outputs and their derivatives, which may be accelerated with a graphics processing unit (GPU). Leveraging the gray-box formulation and GPU acceleration, we solve our test problem with our largest neural network surrogate in 2.5$\times$ the time required for a simpler SCOPF problem without the stability constraint.