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- The training data was generated using a 2D backward-facing step methane-air flame simulated with the DRM19 mechanism, providing diverse reacting-flow conditions.
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- A coarse-grid simulation was used to collect temporal snapshots of temperature and species fields, from which representative species were selected based on a cutoff mass-fraction threshold.
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- PCA was applied to the sampled snapshots to select diverse thermochemical states for training while reducing redundancy in the dataset.
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- Each sampled state was evolved through 0D constant-pressure reactors in Cantera to obtain time-series data for temperature and species evolution.
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- The DeepONet and RecNet models were built in JAX and trained on an NVIDIA RTX A6000 GPU using a two-stage process: pre-training followed by refined auto-regressive training.
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- Pre-training minimized short-step prediction error for physical consistency, while refined training increased rollout length by feeding the model’s own predictions back as inputs.
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