{"paper":{"title":"Metadensity functional learning for classical fluids: Regularizing with pair correlations","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"Metadensity functional dependence on the pair potential gives direct access to fluid pair correlations without Ornstein-Zernike inversion.","cross_cats":[],"primary_cat":"cond-mat.soft","authors_text":"Florian Samm\\\"uller, Matthias Schmidt, Stefanie M. Kampa","submitted_at":"2026-03-12T14:23:53Z","abstract_excerpt":"We investigate and exploit consequences of the recent neural metadensity functional theory [Kampa et al., Phys. Rev. Lett. 134, 107301 (2025), 10.1103/PhysRevLett.134.107301] for describing the physics of inhomogeneous fluids. The metadensity dependence on the pair potential is relevant for soft matter design and Henderson inversion and it allows one to change the pair potential on the fly at prediction stage. Here we consider one-dimensional systems with short-ranged (truncated) interparticle forces and draw on the functional pair potential dependence to investigate 'metadirect' routes toward"},"claims":{"count":4,"items":[{"kind":"strongest_claim","text":"Accessing the pair structure via the metadensity functional dependence circumvents Ornstein-Zernike inversion and it is based on first principles.","source":"verdict.strongest_claim","status":"machine_extracted","claim_id":"C1","attestation":"unclaimed"},{"kind":"weakest_assumption","text":"That comparing pair structures from metadirect functional differentiation against test-particle data from an initial locally trained metadensity functional provides effective regularization without introducing inconsistencies or requiring further fitting.","source":"verdict.weakest_assumption","status":"machine_extracted","claim_id":"C2","attestation":"unclaimed"},{"kind":"one_line_summary","text":"Metadensity functionals are regularized by matching pair structures from metadirect differentiation and test-particle routes to enable first-principles access to bulk correlations in classical fluids.","source":"verdict.one_line_summary","status":"machine_extracted","claim_id":"C3","attestation":"unclaimed"},{"kind":"headline","text":"Metadensity functional dependence on the pair potential gives direct access to fluid pair correlations without Ornstein-Zernike inversion.","source":"verdict.pith_extraction.headline","status":"machine_extracted","claim_id":"C4","attestation":"unclaimed"}],"snapshot_sha256":"29cda3534cc0bde3ab1a47f77b30365e2e69a8f78530398ad98b48982cc76ea0"},"source":{"id":"2603.11973","kind":"arxiv","version":2},"verdict":{"id":"fc28c336-ff9e-4549-a52b-fe952382a6be","model_set":{"reader":"grok-4.3"},"created_at":"2026-05-15T12:06:28.611013Z","strongest_claim":"Accessing the pair structure via the metadensity functional dependence circumvents Ornstein-Zernike inversion and it is based on first principles.","one_line_summary":"Metadensity functionals are regularized by matching pair structures from metadirect differentiation and test-particle routes to enable first-principles access to bulk correlations in classical fluids.","pipeline_version":"pith-pipeline@v0.9.0","weakest_assumption":"That comparing pair structures from metadirect functional differentiation against test-particle data from an initial locally trained metadensity functional provides effective regularization without introducing inconsistencies or requiring further fitting.","pith_extraction_headline":"Metadensity functional dependence on the pair potential gives direct access to fluid pair correlations without Ornstein-Zernike inversion."},"integrity":{"clean":true,"summary":{"advisory":0,"critical":0,"by_detector":{},"informational":0},"endpoint":"/pith/2603.11973/integrity.json","findings":[],"available":true,"detectors_run":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938"},"references":{"count":101,"sample":[{"doi":"","year":2013,"title":"J. P. Hansen and I. R. McDonald,Theory of Simple Liquids, 4th ed. (Academic Press, London, 2013)","work_id":"c7d5b4e1-7fac-4004-8bf9-ebf754635e24","ref_index":1,"cited_arxiv_id":"","is_internal_anchor":false},{"doi":"","year":1979,"title":"Evans, The nature of the liquid-vapour interface and other topics in the statistical mechanics of non-uniform, classical fluids, Adv","work_id":"b32a4700-126b-4b60-88fa-675f9995a90f","ref_index":2,"cited_arxiv_id":"","is_internal_anchor":false},{"doi":"","year":1992,"title":"Evans, Density functionals in the theory of nonuni- form fluids, Chap","work_id":"a8b0ac12-aae0-4806-b280-a357c9771828","ref_index":3,"cited_arxiv_id":"","is_internal_anchor":false},{"doi":"","year":2016,"title":"R. Evans, M. Oettel, R. Roth, and G. Kahl, New devel- opments in classical density functional theory, J. Phys.: Condens. Matter28, 240401 (2016)","work_id":"50da3289-9e85-47cd-ad34-fdb68f53b0dd","ref_index":4,"cited_arxiv_id":"","is_internal_anchor":false},{"doi":"","year":2023,"title":"B. Huang, G. F. von Rudorff, O. A. von Lilienfeld, The central role of density functional theory in the AI age, Science381, 170 (2023)","work_id":"7549276a-9b45-4610-a51c-a9f563dc5d9c","ref_index":5,"cited_arxiv_id":"","is_internal_anchor":false}],"resolved_work":101,"snapshot_sha256":"31c8cb381fbd69a9d4ea888d3477cfa1f0c1f52324bb503d81c55468aa6ad556","internal_anchors":0},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"author_claims":{"count":0,"strong_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"builder_version":"pith-number-builder-2026-05-17-v1"}