Structure-Preserving Neural Surrogates with Tractable Uncertainty Quantification

Recent advances in scientific machine learning provide a means of near-real-time solution to partial differential equations (PDEs), but lack the theoretical underpinnings of conventional simulators that support contemporary verification and validation. In this work, we construct data-driven reduced-order models that serve as structure-preserving, real-time surrogates. Remarkably, the exterior calculus that imposes physical conservation structure also exposes topological structure that we use to build a Gaussian process (GP) representation of uncertainty in state-flux relationships, ultimately yielding a Dirichlet-to-Neumann map for quantities of interest with closed-form expressions for posterior uncertainty. We specifically propose structure-preserving $H(\mathrm{div})$--$L^2$ subspaces of conventional Raviart--Thomas and $dgP_0$ elements prescribed by a lightweight transformer. Reduced-order dynamics consistent with this subspace are learned by posing a conservation law in which a GP describes the fluxes between volumes. This work hinges on a novel interface between mixed FEM spaces and GP regression; when training is posed as the optimal recovery problem (ORP), the resulting GP regression can be written as an optimization problem with equality constraints that impose a conservation structure, amenable to a fast Schur-complement training strategy. The trained model can then be solved in real time with closed-form estimators for boundary fluxes driven by prescribed Dirichlet data. The paper includes RKHS posterior error bounds for linear functionals to support uncertainty quantification, as well as numerical experiments demonstrating the accuracy of the posterior distribution as a surrogate for error estimation.

Neural Navigation Functions for Zero-Shot Generalizable Motion Planning

We introduce Neural Navigation Functions (Neural-NF), a learned reactive navigation function capable of zero-shot transfer across unseen environment geometries. Neural-NF places data-driven adaptation within a structured elliptic planner, where the navigation objective is learned while planner structure is preserved by construction. Specifically, intrinsic Laplacian-derived features are mapped to local PDE coefficients, and solving the resulting boundary value problem produces a globally consistent value function on each target domain. For every admissible learned model, the resulting policy is collision-free, provides monotonic descent and a global minimum at the goal by construction. This admits a linearly-solvable optimal-control interpretation for any parameter setting. Empirically, Neural-NF achieves strong zero-shot transfer across diverse geometries and outperforms learned planners that directly predict the value function by up to a $5\times$ improvement.

A Hybridizable Neural Time Integrator for Stable Autoregressive Forecasting

For autoregressive modeling of chaotic dynamical systems over long time horizons, the stability of both training and inference is a major challenge in building scientific foundation models. We present a hybrid technique in which an autoregressive transformer is embedded within a novel shooting-based mixed finite element scheme, exposing topological structure that enables provable stability. For forward problems, we prove preservation of discrete energies, while for training we prove uniform bounds on gradients, provably avoiding the exploding gradient problem. Combined with a vision transformer, this yields latent tokens admitting structure-preserving dynamics. We outperform modern foundation models with a $65\times$ reduction in model parameters and long-horizon forecasting of chaotic systems. A "mini-foundation" model of a fusion component shows that 12 simulations suffice to train a real-time surrogate, achieving a $9{,}000\times$ speedup over particle-in-cell simulation.

Structure-Preserving Learning Improves Geometry Generalization in Neural PDEs

We aim to develop physics foundation models for science and engineering that provide real-time solutions to Partial Differential Equations (PDEs) which preserve structure and accuracy under adaptation to unseen geometries. To this end, we introduce General-Geometry Neural Whitney Forms (Geo-NeW): a data-driven finite element method. We jointly learn a differential operator and compatible reduced finite element spaces defined on the underlying geometry. The resulting model is solved to generate predictions, while exactly preserving physical conservation laws through Finite Element Exterior Calculus. Geometry enters the model as a discretized mesh both through a transformer-based encoding and as the basis for the learned finite element spaces. This explicitly connects the underlying geometry and imposed boundary conditions to the solution, providing a powerful inductive bias for learning neural PDEs, which we demonstrate improves generalization to unseen domains. We provide a novel parameterization of the constitutive model ensuring the existence and uniqueness of the solution. Our approach demonstrates state-of-the-art performance on several steady-state PDE benchmarks, and provides a significant improvement over conventional baselines on out-of-distribution geometries.

Multi-robot Multi-source Localization in Complex Flows with Physics-Preserving Environment Models

Source localization in a complex flow poses a significant challenge for multi-robot teams tasked with localizing the source of chemical leaks or tracking the dispersion of an oil spill. The flow dynamics can be time-varying and chaotic, resulting in sporadic and intermittent sensor readings, and complex environmental geometries further complicate a team's ability to model and predict the dispersion. To accurately account for the physical processes that drive the dispersion dynamics, robots must have access to computationally intensive numerical models, which can be difficult when onboard computation is limited. We present a distributed mobile sensing framework for source localization in which each robot carries a machine-learned, finite element model of its environment to guide information-based sampling. The models are used to evaluate an approximate mutual information criterion to drive an infotaxis control strategy, which selects sensing regions that are expected to maximize informativeness for the source localization objective. Our approach achieves faster error reduction compared to baseline sensing strategies and results in more accurate source localization compared to baseline machine learning approaches.

Structure-Preserving Digital Twins via Conditional Neural Whitney Forms

We present a framework for constructing real-time digital twins based on structure-preserving reduced finite element models conditioned on a latent variable Z. The approach uses conditional attention mechanisms to learn both a reduced finite element basis and a nonlinear conservation law within the framework of finite element exterior calculus (FEEC). This guarantees numerical well-posedness and exact preservation of conserved quantities, regardless of data sparsity or optimization error. The conditioning mechanism supports real-time calibration to parametric variables, allowing the construction of digital twins which support closed loop inference and calibration to sensor data. The framework interfaces with conventional finite element machinery in a non-invasive manner, allowing treatment of complex geometries and integration of learned models with conventional finite element techniques. Benchmarks include advection diffusion, shock hydrodynamics, electrostatics, and a complex battery thermal runaway problem. The method achieves accurate predictions on complex geometries with sparse data (25 LES simulations), including capturing the transition to turbulence and achieving real-time inference ~0.1s with a speedup of 3.1x10^8 relative to LES. An open-source implementation is available on GitHub.