design optimization teams

Abstract: Modeling heterogeneous materials remains a challenge for physics-informed neural networks such as the deep energy method (DEM). The DEM and its variants, here collectively referred to as the neural energy method (NEM), offer a differentiable variational framework. However, their conventional collocation-based implementation (C-NEM) often suffers from physically inadmissible displacement oscillations, integration errors, and high computational costs from automatic differentiation. This work introduces the mesh-based neural energy method (M-NEM), extending the NEM through a mesh-based discretization of the displacement field. By interpolating nodal displacements via shape functions, the M-NEM imposes a kinematic constraint that suppresses oscillations. Furthermore, the method replaces automatic differentiation with algebraic shape function derivatives for strain computation and employs high-order Gaussian quadrature for accurate energy integration. On a directly comparable benchmark problem, the M-NEM reduces stress errors by up to three orders of magnitude relative to the C-NEM while being one to two orders of magnitude faster. On two further benchmarks involving extreme stiffness contrasts, only the M-NEM converges. A comparative study of neural architectures reveals that radial basis function neural networks (RBFNNs) yield optimal performance within the M-NEM, resolving sharp gradients at material interfaces with higher accuracy than multi-layer perceptrons (MLPs) with random Fourier feature (RFF) mapping and faster convergence than Kolmogorov-Arnold networks (KANs).

Abstract: Multi-objective Bayesian optimisation (MOBO) is a sample-efficient approach for optimising expensive black-box functions with multiple objectives. In MOBO, the goal is to adequately approximate the Pareto front; that is, to obtain a high-quality solution set with 1) good convergence (closeness to the Pareto front) and 2) good diversity (spread across the Pareto front). Existing MOBO methods typically aim to accomplish these two tasks simultaneously, i.e., driving the search towards the Pareto front while maintaining a diverse set of nondominated solutions, such that the solutions, ideally, can gradually approach the entire front. When sufficient search budgets are available, this approach is effective. However, considering both convergence and diversity throughout the search is not easy and requires careful design. Under very tight budgets, there may not be enough solutions generated to be able to simultaneously approach the entire Pareto front. To address this issue, this paper proposes a \textit{converge-then-diversify} (CTD) approach that decouples convergence and diversity into two stages. In the first stage, CTD focuses on convergence, aiming to quickly drive the search toward a single point on the Pareto front. In the second stage, CTD focuses on diversity, aiming to spread solutions across the front. We present two simple instantiations of CTD by using widely adopted acquisition functions in the area. Experimental results show that, across all 446 pairwise comparisons, CTD statistically outperforms state-of-the-art methods in 72.9\% of the cases, performs equivalently in 21.1\%, and is statistically worse in only 6.1\%, with the advantage being particularly evident in settings with very tight evaluation budgets or in high-dimensional problems.