Numerical exploration of the range of shape functionals using neural networks

We propose a neural parameterization of convex sets by learning sublinear (positively homogeneous and convex) functions. Our networks implicitly represent both the support and gauge functions of a convex body. We prove a universal approximation theorem for convex sets under this parametrization. Empirically, we demonstrate the method on shape optimization and inverse design tasks, achieving accurate reconstruction of target shapes.

Given a functional dependent on the spectrum of a differential operator, we address the problem of finding a domain which optimizes this functional. PDE solvers might be used to tackle this optimization. It is however computationally expensive. We propose two neural network models which learn the spectrum directly from the geometry of the domain and can be used to optimize the domain from one or more eigenvalues. We investigate two representations. The first encodes the domain through Fourier coefficients and a light MLP, which is efficient on star-shaped geometries, achieving a precision of 0.2%. Through a rescaling of the coefficients the designed models satisfy the scaling law of the eigenvalues. Additionally, averaging the outputs of the trained surrogates over rotations and reflections induces invariance for these transformations. The second is a model that takes the landscape function, the indicator function and the gradient of the landscape function. A Gram-Schmidt process produces orthogonal eigenfunctions as output of the model along with the associated eigenvalues. The landscape model reaches 1% mean relative error on the first ten eigenvalues, compared with 4% for an FNO model. Replacing the landscape by an SDF worsened both prediction and optimization errors. The trained model also generalizes from synthetic shapes to domains given as classical image dataset. The resulting surrogates of both approaches recover classical spectral optima such as the disk for the first eigenvalue or the conjectured minima of higher eigenvalues. This confirms that our models produce accurate differentiable estimates of eigenvalues, which can be used in shape optimization problems involving spectral quantities.

Enforcing functional inequality constraints such as monotonicity and convexity in neural networks is a fundamental challenge in many industrial and scientific applications. Classical one-sided penalty methods, along with primal-dual methods gated by complementary slackness, provide constraint gradients only at violated locations, resulting in fragile satisfaction. Architectures that guarantee feasibility by construction, on the other hand, remain largely limited to elementary cases and impose additional inductive biases. We introduce neural slack variables, a deep learning native primal-side approach that converts constraint enforcement into a regression problem by coupling the primary network with a jointly learned auxiliary network. The auxiliary network serves as a valid target for the primary network's constraint quantities, inducing feasibility and regularity. Neural slack variables achieve zero measured violations on dense-grid monotonicity and convexity test cases, where penalty and primal-dual baselines leave residual violations, and enable arbitrage-free learning of volatility surfaces, an open industrial challenge in quantitative finance.