{
  "abstract": "In this work, we generalize an on-lattice tensor cluster expansion (TCE) framework to an arbitrary correlation order. We show that these generalized tensor cluster expansion features span a subspace of MACE features, suggesting that TCE features can sufficiently pre-screen MACE features for chemical diversity in alloyed transition metal dichalcogenide (TMD) monolayers. We show that, using maximum-entropy subset sampling, we can empirically recover chemical diversity from MACE features using a cheaper TCE representation. We then fine-tune a multi-ACE (MACE) potential with both subsets, and use this potential to predict temperature-dependent vibrational properties in alloyed TMD monolayers with varying chemical ordering. In our approach, TCE features can be used as cheap surrogate features for pre-screening chemically rich configurations using MACE features, allowing for the more efficient finetuning of atomic cluster expansion (ACE) potentials, thus achieving a tractable prediction of finite-temperature alloy thermodynamics on modest hardware.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": "2610.41969",
  "author_total": 3,
  "authors": [
    {
      "name": "Jacob Jeffries"
    },
    {
      "name": "Enrique Martinez"
    },
    {
      "name": "Eva Zarkadoula"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/65fstk02pa2cg.bib",
  "cited_by": 0,
  "doi": "10.48550/arxiv.2610.41969",
  "fulltext_url": null,
  "id": "65fstk02pa2cg",
  "issns": [],
  "landing_url": "https://arxiv.org/abs/2610.41969",
  "language": null,
  "licence": "CC-BY-4.0",
  "licence_label": "CC BY 4.0",
  "licence_source": "article",
  "licence_url": "http://creativecommons.org/licenses/by/4.0/",
  "metadata_licence": "CC0-1.0",
  "native_subjects": [
    [
      "arxiv",
      "cond-mat.mtrl-sci"
    ]
  ],
  "openalex": null,
  "pdf_url": "https://arxiv.org/pdf/2610.41969",
  "pmcid": null,
  "pmid": null,
  "published": "2026-10-30",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/65fstk02pa2cg.ris",
  "sources": [
    {
      "first_seen": "2026-11-02T12:21:15Z",
      "native_id": "2610.41969",
      "source": "arxiv",
      "url": "https://arxiv.org/abs/2610.41969"
    }
  ],
  "subjects": [
    {
      "field": "physics",
      "origin": "arxiv:cond-mat.mtrl-sci",
      "subfield": "condensed-matter"
    }
  ],
  "title": "Tensor cluster expansion as an efficient surrogate for multi-ACE",
  "title_text": "Tensor cluster expansion as an efficient surrogate for multi-ACE",
  "type": "preprint",
  "updated_at": "2026-11-04T15:20:51Z",
  "url": "https://research.draconitic.com/paper/65fstk02pa2cg",
  "venue": "arXiv",
  "versions": []
}