Multi-Fidelity Learning with Shallow Recurrent Decoders for Reactor Physics

Turbulent combustion simulations are crucial for many scientific and engineering systems. However, the high cost to fully resolve the complex multiscale and multiphysics behavior makes direct simulation typically infeasible. The equivalent reactor network (ERN) approach attempts to improve computational efficiency by replacing a multidimensional turbulent simulation with a series of much cheaper 0-D and 1-D chemical reactors, providing a surrogate model that retains detailed chemistry at the cost of simplified flow physics. However, their development remains a challenge, often requiring either expert analysis, or automated approaches that sacrifice accuracy. In this work, we develop an automated machine-learning-assisted framework for constructing ERNs of the Sandia-D turbulent methane/air flame. Principal component analysis is first used to reduce high-dimensional thermochemical computational fluid dynamics (CFD) data to a low-dimensional latent space, where k-means clustering identifies physically interpretable flame regions used to initialize a reactor-network graph. This initialization is then refined using finite-difference gradient descent wrapped around non-differentiable Cantera reactor simulations. Across 30 RANS simulations spanning a range of pilot temperatures and inlet methane compositions, the optimized 7-reactor ERN achieves a maximum-temperature $R^2$ score of 0.7945 while preserving a $\sim6000\times$ speedup over the CFD solver. Outlet CO prediction remains more challenging, with a final $R^2$ score of $-0.4183$, but improves substantially from the unoptimized clustering initialization. These results show that unsupervised thermochemical feature extraction can provide effective physics-informed initializations for ERN construction, while gradient-based refinement can significantly improve predictive accuracy without manual reactor-network design.

Integral codes like the Accident Source Term Evaluation Code (ASTEC) are powerful tools to study the physics of Severe Accidents (SAs) in nuclear reactors. Real time SA simulators can also be helpful in training operators of nuclear plants to react correctly to malfunctions. However, SA simulators can take up to several days per simulation, making their use infeasible for real time applications. In this work we show how to speed up a SA simulator with a fast, Deep Learning based (DL), surrogate model (SM). The SM is built as a combination of a dimensionality reduction stage, via an AutoEncoder, and a time-stepping stage, via a Neural Ordinary Differential Equation. The data on which the SM is trained are obtained from the ASTEC simulator, by sampling a set of operator actions for station blackout (SBO) and loss-of-coolant accidents (LOCA). The objective of the developed SM is to approximate multiple spatio-temporal fields for the thermal-hydraulic physics, core degradation, and fission product release modules in ASTEC's vessel domain. The SM predicts simultaneously around $80$ different physical variables (both scalar and fields), maintaining a stable autoregressive rollout up to $50$ thousand time steps. In addition, the AutoEncoder achieves a dimensionality reduction by a factor of over $300$, which allows the SM to predict up to $40$ hours of simulation in under a minute, both on CPU and GPU. This work is the first study of the capabilities and limits of DL based surrogate modeling in approximating the challenging, highly non-linear physics of ASTEC.

Neural surrogates promise large speedups over classical solvers for physical dynamics but fail silently at sharp dynamical events such as shocks, fronts, and contact. We present hybrid neural world models for physical dynamics: a recipe for training and deploying multi-horizon surrogates in physical state space, where a single network with continuous horizon conditioning is trained with direct supervision against textbook reference solvers to predict any future state at horizon T in one forward pass. Although no part of the training data, loss function, or architecture supervises discontinuity location, the trained surrogate encodes it implicitly, recoverable from its forward passes alone as a per-trajectory error map that concentrates on shocks, fronts, and contacts, and stays small elsewhere. The map is competitive with or better than standard label-free baselines including deep ensembles, learned error heads, gradient-magnitude indicators, and locally-adaptive conformal prediction, while using only a single trained network and requiring no calibration set or governing-equation knowledge. The recipe supports two operating points. Mode 1 runs the surrogate alone for maximum throughput, with same-hardware CPU speedups of 26x to 72x against textbook solvers on the PDE environments. Mode 2 uses the error map to gate a reference-solver fallback, deferring uncertain trajectories and roughly halving the surrogate's residual error at the default operating point. The recipe applies without modification across reaction-diffusion, compressible Euler, and rigid-body collision dynamics.