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Posterior-First Neural PDE Simulation: Inferring Hidden Problem State from a Single Field

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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.

Wenshuo Wang, Fan Zhang• 2026

Related benchmarks

TaskDatasetResultRank
Neural PDE rolloutPDEBench Public metadata-hidden protocol (test)
nRMSE1.82
15
Synthetic downstream predictionSynthetic task bundle (full)
Future NLL0.92
8
Hidden metadata estimationSW Public metadata-hidden protocol
nRMSE5.32
3
Hidden metadata estimationINS Public metadata-hidden protocol
nRMSE0.2872
3
Hidden metadata estimationPublic metadata-hidden protocol All-UQ
nRMSE0.1702
3
Inverse-posterior estimationPublic metadata-hidden (DR)
nRMSE0.169
3
Inverse-posterior estimationPublic metadata-hidden (DS)
nRMSE0.0182
3
Public RolloutPDEBench DR--
1
Public RolloutPDEBench DS--
1
Public RolloutPDEBench SW--
1
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