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    "headline": "The Coarse Molecules Chose Their Own Internal State",
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    "dek": "Message passing replaced handpicked collective variables in a model that recovered a symmetry-breaking phase transition.",
    "summary": "Message passing replaced handpicked collective variables in a model that recovered a symmetry-breaking phase transition.",
    "body_text": "Self-Consistent Ultra-Coarse-Graining assigns hidden molecular states from the model's own interactions through graph message passing instead of user-designed collective variables. On a four-particle test system, the method captured collective switching and reproduced a temperature-driven transition despite training at one temperature. The study is a methodological demonstration on a controlled model, not yet a general biomolecular simulator.",
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    "tags": [
      "molecular dynamics",
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      "graph models"
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      "title": "arXiv preprint 2608.05388",
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