The validation of advanced nuclear reactor designs and fuel concepts requires critical experiments with high neutronic similarity to the target technology. Neutronic similarity is quantified by the correlation coefficient ck, which captures the shared bias in keff induced by uncertainties in nuclear data. Generally, a ck≥0.9 is needed for an experiment to be sufficiently similar to a target technology. This work presents a methodology for the inverse design of critical experiments. Deep neural network surrogate modeling and nonparametric gradient optimization are used to generate experiment geometries that maximize ck. A deep neural network is trained on OpenMC-calculated sensitivity vectors for grid-based critical experiment geometries. The model architecture combines a U-Net convolutional encoder-decoder with a novel multigroup attention pooling layer, introduced to capture the differing spatial dependencies of sensitivities. Multigroup attention pooling is shown to achieve better performance than traditional pooling, as well as interpretable internal behavior. The differentiability of the surrogate enables gradient-based optimization of the full combinatorial design space, allowing ck to be maximized by directly changing the material assignment of each position in the geometry grid. The method is applied to the validation of the TN-Americas TN-LC transportation cask with HALEU fuel, for which existing critical experiment coverage is limited. The optimization procedure is shown to produce experiment geometries achieving ck scores of 0.97757, 0.81324, and 0.93276 for three configurations of interest. This approach demonstrates the potential of deep learning and gradient optimization to accelerate the development of advanced nuclear technology.
In reactor physics, neutronics can be treated with different fidelity levels, according to the needs of the user. On one hand, the precise modeling of neutrons' behaviour in reactor physics is often expensive and time-consuming due to the high computational costs to numerically solve the Boltzmann transport equation. Conversely, by adopting suitable assumptions, such as the SPN, diffusion theory, and point kinetics, it is possible to generate efficiently low-fidelity data. From the perspective of surrogate models, this computational limitation translates into a scarcity of high-fidelity data and a significant amount of low-fidelity data. Given this difference in fidelity levels, it would be interesting to develop a suitable procedure to map low-fidelity models towards higher fidelity models; for instance, one could obtain the solution to a multi-group diffusion equation starting from time-series data obtained from a point kinetics model. Indeed, this work investigates this possibility by leveraging multi-fidelity information with Shallow Recurrent Decoders, a novel machine learning architecture able to map time-series observations to the full state of the reactor. This technique has been designed to use local or global measurements as input and map their temporal trajectories to the high-dimensional state; by the same logic, in principle, this architecture can also be used when the input is formed by the solution of a lumped model. This work applies this idea to a benchmark reactor geometry, mapping the point kinetics model to the diffusion solution under various input conditions, with much less computational costs.
Stefano Riva, Carolina Introini, J. Nathan Kutz +1
Topology optimization (TO) remains computationally intensive due to repeated finite element analysis (FEA) evaluations required at each iteration. While neural network-based surrogates offer potential acceleration, existing approaches often suffer from gradient inconsistency between predicted objectives and sensitivities, leading to optimization instability. This work presents KATOsuper, an objective-agnostic framework that couples neural-reparameterized topology optimization with a Sensitivity-Consistent Fourier Neural Operator (SC-FNO). The framework employs the forward_split architecture, which derives deployed sensitivities via automatic differentiation through the predicted objective field and thereby preserves consistency between the predicted objective and the gradient used for optimization. The case studies include three 2D benchmark problems and three 3D structures considering compliance or stress minimization. A physics-informed multi-channel input encoding with Fourier position embedding enables resolution-invariant learning, supporting zero-shot extrapolation beyond the training resolution, with useful performance at moderate scaling factors and topology-preserving exploration at up to 64x without retraining. The framework extends to 3D through KATO3D, featuring novel KANConv3D blocks with learnable B-spline activations. KATOsuper demonstrates 15--110x deployment-time speedup over MATLAB baselines while maintaining competitive optimality, with the clearest gains observed in complex 3D and stress-optimization cases. The insight that sensitivity direction matters more than magnitude enables robust optimization even with approximate physics evaluation, extensible to other differentiable physics-driven design objectives.
Bayesian inverse design provides a principled framework for inferring aerodynamic geometries from sparse flow observations while quantifying uncertainty. However, its practical use in computational fluid dynamics (CFD) is severely limited by the cost of repeated high-fidelity simulations required for gradient-based Markov chain Monte Carlo (MCMC) sampling. While surrogate models are commonly proposed to reduce this cost, their effect on posterior geometry and uncertainty, especially for shock-dominated flows, remains poorly understood. In this work, we demonstrate that neural operator surrogates can be embedded directly within the MCMC inference loop while preserving posterior structure. Using a fully Bayesian inverse formulation of quasi-one-dimensional nozzle flow, we demonstrate that geometry parameterization plays a decisive role in identifiability and posterior conditioning, with cubic B-splines yielding stable and physically meaningful uncertainty estimates. Building on this formulation, a Deep Operator Network trained on CFD-generated data is substituted for the CFD solver within a No-U-Turn Sampler, while keeping the likelihood model, priors, and sampling configuration unchanged. Across sparse to fully observed regimes, surrogate-based inference reproduces the posterior geometry and uncertainty trends of the CFD reference. As a result of surrogate integration, total inference time is reduced to under one second, corresponding to a speedup exceeding three orders of magnitude. In addition, a direct inverse neural operator is examined as a deterministic alternative for inverse design, enabling single-shot geometry reconstruction without posterior sampling. These results demonstrate that neural operator-accelerated Bayesian inference enables practical, uncertainty-aware inverse design workflows for aerodynamic applications.