{"ID":2921795,"CreatedAt":"2026-06-02T02:42:49.606572591Z","UpdatedAt":"2026-06-03T05:56:00.181519634Z","DeletedAt":null,"paper_url":"https://arxiv.org/abs/2606.01329","arxiv_id":"2606.01329","title":"Conditioned free-energy density of proteins using unbalanced solutions to constraint satisfaction problems","abstract":"We show that computing the log-partition function (free-energy) of conditioned inhomogeneous Curie--Weiss spin Hamiltonians reduces to an unbalanced $2 \\to 1$ norm computation, and design a polynomial-time SDP algorithm for this problem with a lower bound proof for the amount of unbalance achieved. Applied to the protein Ubiquitin, the framework starts from a known crystal structure, explores alternative backbone conformations across the free-energy landscape, and identifies flexible regions of the protein while preserving its native secondary structure.","short_abstract":"We show that computing the log-partition function (free-energy) of conditioned inhomogeneous Curie--Weiss spin Hamiltonians reduces to an unbalanced $2 \\to 1$ norm computation, and design a polynomial-time SDP algorithm for this problem with a lower bound proof for the amount of unbalance achieved. Applied to the prote...","url_abs":"https://arxiv.org/abs/2606.01329","url_pdf":"https://arxiv.org/pdf/2606.01329v1","authors":"[\"Pratik Worah\",\"Subhash Khot\",\"Srinivasa Varadhan\"]","published":"2026-05-31T16:31:16Z","proceeding":"cs.LG","tasks":"[\"cs.LG\",\"q-bio.BM\"]","methods":"[]","has_code":false}