Graph Neural ODE Digital Twins for Control-Oriented Reactor Thermal-Hydraulic Forecasting Under Partial Observability

arXiv cs.LG / 4/9/2026

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Key Points

  • The paper proposes a control-oriented digital-twin surrogate for reactor thermal-hydraulics using a physics-informed, flow/heat-transfer-aware message-passing Graph Neural Network coupled with a continuous-time Neural ODE.
  • It models the reactor as a directed sensor graph, reconstructs uninstrumented (missing) node states with a topology-guided initializer, and then performs fully autoregressive rollout under partial observability.
  • On held-out simulation transients, the method reports low mean absolute errors for missing-node temperature predictions (0.91 K at 60 s and 2.18 K at 300 s) and high reconstruction quality (R^2 up to 0.995).
  • The approach supports fast inference (about 105× faster than simulated time on a single GPU), enabling large ensemble rollouts for uncertainty quantification.
  • For sim-to-real transfer, it fine-tunes from only 30 training sequences via layerwise discriminative tuning and learns flow-dependent heat-transfer scaling that matches established Reynolds-number behavior while tracking steep power-change transients accurately.

Abstract

Real-time supervisory control of advanced reactors requires accurate forecasting of plant-wide thermal-hydraulic states, including locations where physical sensors are unavailable. Meeting this need calls for surrogate models that combine predictive fidelity, millisecond-scale inference, and robustness to partial observability. In this work, we present a physics-informed message-passing Graph Neural Network coupled with a Neural Ordinary Differential Equation (GNN-ODE) to addresses all three requirements simultaneously. We represent the whole system as a directed sensor graph whose edges encode hydraulic connectivity through flow/heat transfer-aware message passing, and we advance the latent dynamics in continuous time via a controlled Neural ODE. A topology-guided missing-node initializer reconstructs uninstrumented states at rollout start; prediction then proceeds fully autoregressively. The GNN-ODE surrogate achieves satisfactory results for the system dynamics prediction. On held-out simulation transients, the surrogate achieves an average MAE of 0.91 K at 60 s and 2.18 K at 300 s for uninstrumented nodes, with R^2 up to 0.995 for missing-node state reconstruction. Inference runs at approximately 105 times faster than simulated time on a single GPU, enabling 64-member ensemble rollouts for uncertainty quantification. To assess sim-to-real transfer, we adapt the pretrained surrogate to experimental facility data using layerwise discriminative fine-tuning with only 30 training sequences. The learned flow-dependent heat-transfer scaling recovers a Reynolds-number exponent consistent with established correlations, indicating constitutive learning beyond trajectory fitting. The model tracks a steep power change transient and produces accurate trajectories at uninstrumented locations.