SPADE: Structure-Prior Adaptive Decision Estimation
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Abstract (arXiv)
Physical-structure priors such as conservation laws, Hamiltonian forms, and symmetries can improve scientific machine learning when correct, but can degrade predictions when misspecified. Existing methods usually enforce a chosen structure or tune a soft penalty, without a calibrated rule for deciding whether to impose a prior, how strongly to impose it, which prior to use, or which subset of candidate laws holds. We introduce SPADE, Structure-Prior Adaptive Decision Estimation, a closed-form framework that treats this problem as shrinkage of the structure-violating block of an unconstrained estimator. SPADE uses one exact specification test and one estimand: the test decides whether the prior is supported by data, Stein-unbiased James-Stein shrinkage sets the enforcement strength with an O(σ2/n) oracle guarantee, and a gate commits to the hard prior only when the test certifies it. The same test yields consistent nested structure selection and Benjamini-Hochberg control for subset discovery in non-nested constraint families. Across a linear-subspace prior, a reservoir conservation law, and a nonlinear Hamiltonian prior on Duffing dynamics, SPADE tracks the oracle, beats a neural-network baseline, reduces correct-prior regret from 10.3% to 2.6%, matches cross-validation with 1/71 of the solves, selects the correct structure with 100% accuracy, and recovers partial laws with controlled false relaxation.
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References · 5
- 2019Hamiltonian Neural Networkscited by 702
- 2021Characterizing possible failure modes in physics-informed neural networkscited by 632
- 2020When and why PINNs fail to train: A neural tangent kernel perspectivecited by 629
- 2020Simplifying Hamiltonian and Lagrangian Neural Networks via Explicit Constraintscited by 102
- 2020Dissipative SymODEN: Encoding Hamiltonian Dynamics with Dissipation and Control into Deep Learningcited by 77
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