mlsanityData to 14 Oct 2026

Blind Thermodynamic Ontology Discovery from Anonymous Experiments

arXiv 2609.23387 ↗First posted 20 Sep 2026cs.LG cs.AIcited by 1

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Abstract (arXiv)

Before a machine learning model can learn a thermodynamic equation of state, it must discover what its measurements represent: which channels scale with system size, which are intensive conjugates, how sectors pair through contact, and which potential governs stability. When sensors expose only an unknown linear mixture of extensive states and intensive responses, passive observations cannot disentangle physical quantities from coordinate artifacts. We formulate the problem of discovering this hidden thermodynamic ontology directly from anonymous controlled experiments. We present an operational identifiability theory and a constructive polynomial-time algorithm that extracts extensive and intensive scaling sectors from replication contrasts, recovers their dual cotangent pairing from thermal contact and reciprocity, verifies a globally admissible concave potential via discrete cyclic concavity, and determines an invariant matroid of reservoir ensembles. We prove that the residual observational equivalence is strictly (x, lambda) ~ (A x, a A^{-T} lambda + beta), establishing the sharp observational limit that no permitted experiment can break. Blind evaluations on van der Waals fluids and Curie-Weiss magnets confirm robust recovery under ill-conditioned mixing, correctly resolving anonymous Maxwell tie-lines while rejecting non-equilibrium continuations. External validation across six real fluids from the NIST WebBook demonstrates that operational ontology discovery transfers across real physical substances without coordinate leakage.

Key facts. Cited by 1 paper in the map (data through 14 Oct 2026). Builds on 9 of its 26 references that are in the map. First posted on arXiv 20 Sep 2026.

Builds on

9 of 26 references.

References · 9

  1. 2018Challenging Common Assumptions in the Unsupervised Learning of Disentangled Representationscited by 941
  2. 2019Hamiltonian Neural Networkscited by 712
  3. 2016Input Convex Neural Networkscited by 414
  4. 2020Lagrangian Neural Networkscited by 398
  5. 2018Nonlinear ICA Using Auxiliary Variables and Generalized Contrastive Learningcited by 282
  6. 2022Interventional Causal Representation Learningcited by 142
  7. 2024Score-based Causal Representation Learning: Linear and General Transformationscited by 27
  8. 2025Thermodynamically consistent machine learning model for excess Gibbs energycited by 3
  9. 2026Differentiable Thermodynamic Phase-Equilibria for Machine Learningcited by 1

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