{"paper":{"title":"How far does a random forest generalize from a 54-run LAMMPS+SPICA benchmark?","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":[],"primary_cat":"cs.DC","authors_text":"Dennis Alves Pedersen, F\\'abio Andrijauskas, Paulo Henrique Leme Ramalho","submitted_at":"2026-06-26T03:43:04Z","abstract_excerpt":"Selecting near-optimal hybrid MPI+OpenMP configurations for molecular dynamics workloads on modern HPC clusters has traditionally required exhaustive empirical benchmarking, consuming allocation budget proportional to the number of configurations evaluated. This work investigates whether a cold-start Random Forest surrogate, trained once on a small, structured benchmark dataset, can reliably predict execution performance and recommend high-performing configurations without further cluster runs. The training dataset comprises 54 LAMMPS+SPICA runs of the antimicrobial peptide Tritrpticin on a hy"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2606.27695","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":""},"integrity":{"clean":true,"summary":{"advisory":0,"critical":0,"by_detector":{},"informational":0},"endpoint":"/pith/2606.27695/integrity.json","findings":[],"available":true,"detectors_run":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938"},"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"}