Expected Improvement via Gradient Norms

Bayesian Optimization (BO) is a principled approach for optimizing expensive black-box functions, with Expected Improvement (EI) being one of the most widely used acquisition functions. Despite its empirical success, EI is known to be overly exploitative and can converge to suboptimal stationary points. We propose Expected Improvement via Gradient Norms (EI-GN), a novel acquisition function that applies the improvement principle to a gradient-aware auxiliary objective, thereby promoting sampling in regions that are both high-performing and approaching first-order stationarity. EI-GN relies on gradient observations used to learn gradient-enhanced surrogate models that enable principled gradient inference from function evaluations. We derive a tractable closed-form expression for EI-GN that allows efficient optimization and show that the proposed acquisition is consistent with the improvement-based acquisition framework. Empirical evaluations on standard BO benchmarks demonstrate that EI-GN yields consistent improvements against standard baselines. We further demonstrate applicability of EI-GN to control policy learning problems.

Towards Scalable Bayesian Optimization via Gradient-Informed Bayesian Neural Networks

Bayesian optimization (BO) is a widely used method for data-driven optimization that generally relies on zeroth-order data of objective function to construct probabilistic surrogate models. These surrogates guide the exploration-exploitation process toward finding global optimum. While Gaussian processes (GPs) are commonly employed as surrogates of the unknown objective function, recent studies have highlighted the potential of Bayesian neural networks (BNNs) as scalable and flexible alternatives. Moreover, incorporating gradient observations into GPs, when available, has been shown to improve BO performance. However, the use of gradients within BNN surrogates remains unexplored. By leveraging automatic differentiation, gradient information can be seamlessly integrated into BNN training, resulting in more informative surrogates for BO. We propose a gradient-informed loss function for BNN training, effectively augmenting function observations with local gradient information. The effectiveness of this approach is demonstrated on well-known benchmarks in terms of improved BNN predictions and faster BO convergence as the number of decision variables increases.

Lyapunov Neural ODE Feedback Control Policies

Deep neural networks are increasingly used as an effective way to represent control policies in a wide-range of learning-based control methods. For continuous-time optimal control problems (OCPs), which are central to many decision-making tasks, control policy learning can be cast as a neural ordinary differential equation (NODE) problem wherein state and control constraints are naturally accommodated. This paper presents a Lyapunov-NODE control (L-NODEC) approach to solving continuous-time OCPs for the case of stabilizing a known constrained nonlinear system around a terminal equilibrium point. We propose a Lyapunov loss formulation that incorporates a control-theoretic Lyapunov condition into the problem of learning a state-feedback neural control policy. We establish that L-NODEC ensures exponential stability of the controlled system, as well as its adversarial robustness to uncertain initial conditions. The performance of L-NODEC is illustrated on a benchmark double integrator problem and for optimal control of thermal dose delivery using a cold atmospheric plasma biomedical system. L-NODEC can substantially reduce the inference time necessary to reach the equilibrium state.