{"paper":{"title":"Generating Physically Consistent Molecules with Energy-Based Models","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":[],"primary_cat":"cs.LG","authors_text":"Andreas Habring, Christoph Griesbacher, Lea Bogensperger, Thomas Pock","submitted_at":"2026-05-18T13:26:52Z","abstract_excerpt":"Molecules in equilibrium follow a Boltzmann distribution, making the underlying energy landscape a physically grounded modeling objective. However, such landscapes are difficult to learn from data and, once learned, hard to sample from. Diffusion and flow-matching models sidestep these difficulties by learning a time-conditional score or transport field between noise and data, losing the energy inductive bias in exchange for a more tractable training objective. We introduce EBMol, an energy-based model (EBM) that restores this inductive bias by learning an atom-additive scalar potential withou"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2605.18381","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/2605.18381/integrity.json","findings":[],"available":true,"detectors_run":[{"name":"citation_quote_validity","ran_at":"2026-05-19T23:50:04.475087Z","status":"skipped","version":"0.1.0","findings_count":0},{"name":"ai_meta_artifact","ran_at":"2026-05-19T23:33:29.997304Z","status":"skipped","version":"1.0.0","findings_count":0},{"name":"external_links","ran_at":"2026-05-19T23:31:46.910898Z","status":"completed","version":"1.0.0","findings_count":0},{"name":"claim_evidence","ran_at":"2026-05-19T23:21:58.759263Z","status":"completed","version":"1.0.0","findings_count":0}],"snapshot_sha256":"a93f9aaf32e4e670f57b973a2a4472c04dc3c7c76a736fd62395e7d6ab2ae932"},"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"}