{"paper":{"title":"On the Use of Local Diffusion Models for Path Ensemble Averaging in Potential of Mean Force Computations","license":"","headline":"","cross_cats":[],"primary_cat":"cond-mat.stat-mech","authors_text":"Christopher P. Calderon","submitted_at":"2006-06-16T18:12:58Z","abstract_excerpt":"We use a constant velocity steered molecular dynamics (SMD) simulation of the stretching of deca-alanine in vacuum to demonstrate a technique that can be used to create surrogate stochastic processes using the time series that come out of SMD simulations. The surrogate processes are constructed by first estimating a sequence of local parametric models along a SMD trajectory and then a single global model is constructed by piecing the local models together through smoothing splines (estimation is made computationally feasible by likelihood function approximations). The calibrated surrogate mode"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"cond-mat/0606458","kind":"arxiv","version":1},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"references":{"count":0,"sample":[],"resolved_work":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","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"}