Posterior-First Neural PDE Simulation: Inferring Hidden Problem State from a Single Field
About
Neural PDE simulators often receive only a single observed field at deployment. In this setting, a field-to-future predictor can collapse distinct latent problem states into the same deterministic interface, losing the ambiguity needed for reliable rollout and downstream decisions. We propose posterior-first neural PDE simulation: first infer a posterior over the minimal task-sufficient problem state, then condition prediction on that posterior. The resulting theory connects the object, the learning target, and the failure mode: Bayes downstream values factor through this posterior, refinement labels make it learnable by proper scoring rules, and deterministic collapse incurs an ambiguity barrier whenever the true posterior is non-Dirac. Synthetic exact-ambiguity experiments show that point-versus-posterior gaps track the predicted barrier. On metadata-hidden PDEBench tasks, posterior recovery reduces pooled rollout nRMSE from 0.175 to 0.132, closing 59.4% of the direct-to-oracle gap. These results suggest that single-observation neural PDE simulation should be posterior-first rather than monolithic field-to-future prediction.
Related benchmarks
| Task | Dataset | Result | Rank | |
|---|---|---|---|---|
| Neural PDE rollout | PDEBench Public metadata-hidden protocol (test) | nRMSE1.82 | 15 | |
| Synthetic downstream prediction | Synthetic task bundle (full) | Future NLL0.92 | 8 | |
| Hidden metadata estimation | SW Public metadata-hidden protocol | nRMSE5.32 | 3 | |
| Hidden metadata estimation | INS Public metadata-hidden protocol | nRMSE0.2872 | 3 | |
| Hidden metadata estimation | Public metadata-hidden protocol All-UQ | nRMSE0.1702 | 3 | |
| Inverse-posterior estimation | Public metadata-hidden (DR) | nRMSE0.169 | 3 | |
| Inverse-posterior estimation | Public metadata-hidden (DS) | nRMSE0.0182 | 3 | |
| Public Rollout | PDEBench DR | -- | 1 | |
| Public Rollout | PDEBench DS | -- | 1 | |
| Public Rollout | PDEBench SW | -- | 1 |