mlsanityData to 14 Oct 2026

Domain-Validity-Gated Metamorphic Testing of Scientific ML Surrogates

arXiv 2606.17529 ↗First posted 16 Jun 2026cs.CE cs.LGcited by 0

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Abstract (arXiv)

Scientific machine-learning (SciML) surrogates approximate expensive simulations, but exact expected outputs for arbitrary inputs are unavailable (the oracle problem). Metamorphic testing checks relations across executions, yet a candidate relation is not automatically valid: its preconditions, output mapping, and the numerical floor of the scoring operator determine whether a violation is meaningful. We study how candidate metamorphic relations (MRs) can be screened for domain validity and turned into executable, oracle-free test assets for SciML surrogates. We propose (i) a domain-validity rubric that admits a candidate only when its tolerance dominates the operator's numerical floor and its preconditions hold; (ii) an MR-card executable-asset format recording source cases, transformations, metrics, tolerances, and typed relation-level verdicts; and (iii) a case-study protocol on MeshGraphNets cylinder-flow surrogates, with a claim ledger binding every result to a tracked artifact. On a MeshGraphNets checkpoint, node permutation holds to machine precision, mirror-y is a bounded out-of-distribution stress finding rather than an exact symmetry, and absolute conservation stays deferred while a reference-relative guard passes. The same readings hold across held-out trajectories, a checkpoint roster, three further architectures, and PhysicsNeMo. On a second CFD task (compressible airfoil) the predicate instead rejects incompressible continuity on physical grounds, showing it reasons about domain validity rather than running a fixed checklist. On a second PDE family, FNO Burgers and heat surrogates run full admit/reject/execute verdicts. The evidence spans two CFD tasks and a second PDE family, supporting a validity-aware bridge from candidate MRs to auditable SciML test assets that separates model-level violations from out-of-domain applications.

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References · 8

  1. 2020Fourier Neural Operator for Parametric Partial Differential Equationscited by 2,908
  2. 2020Learning Mesh-Based Simulation with Graph Networkscited by 868
  3. 2021Characterizing possible failure modes in physics-informed neural networkscited by 643
  4. 2020Metamorphic Testing: A New Approach for Generating Next Test Casescited by 75
  5. 2023Towards a Complete Metamorphic Testing Pipelinecited by 3
  6. 2021Towards Automated Metamorphic Test Identification for Ocean System Modelscited by 2
  7. 2023Bug or not Bug? Analysing the Reasons Behind Metamorphic Relation Violationscited by 1
  8. 2023Exploring a Test Data-Driven Method for Selecting and Constraining Metamorphic Relationscited by 1

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