{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2022:NGFJ7ZAES2GYPSALNBNBJDCTB3","merge_version":"pith-open-graph-merge-v1","event_count":2,"valid_event_count":2,"invalid_event_count":0,"equivocation_count":0,"current":{"canonical_record":{"metadata":{"abstract_canon_sha256":"81a3ed4946dfe83927985d53a44e8166a313e7e272394d78bf0db86767a37da5","cross_cats_sorted":["cs.LG","physics.comp-ph"],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2022-08-17T11:33:46Z","title_canon_sha256":"04ee2f8bd9276248c266efea058cb54e83e0e73a4075f61092e1f9be7a405624"},"schema_version":"1.0","source":{"id":"2208.08236","kind":"arxiv","version":4}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2208.08236","created_at":"2026-07-05T06:50:52Z"},{"alias_kind":"arxiv_version","alias_value":"2208.08236v4","created_at":"2026-07-05T06:50:52Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2208.08236","created_at":"2026-07-05T06:50:52Z"},{"alias_kind":"pith_short_12","alias_value":"NGFJ7ZAES2GY","created_at":"2026-07-05T06:50:52Z"},{"alias_kind":"pith_short_16","alias_value":"NGFJ7ZAES2GYPSAL","created_at":"2026-07-05T06:50:52Z"},{"alias_kind":"pith_short_8","alias_value":"NGFJ7ZAE","created_at":"2026-07-05T06:50:52Z"}],"graph_snapshots":[{"event_id":"sha256:a4d604d50ed3f5ff28d479ca4f9e78fad18189b4daa367e2fc66b2bef8868439","target":"graph","created_at":"2026-07-05T06:50:52Z","signer":{"key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signer_id":"pith.science","signer_type":"pith_registry"},"payload":{"graph_snapshot":{"author_claims":{"count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","strong_count":0},"builder_version":"pith-number-builder-2026-05-17-v1","claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"integrity":{"available":true,"clean":true,"detectors_run":[],"endpoint":"/pith/2208.08236/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"Machine learning assisted modeling of the inter-atomic potential energy surface (PES) is revolutionizing the field of molecular simulation. With the accumulation of high-quality electronic structure data, a model that can be pretrained on all available data and finetuned on downstream tasks with a small additional effort would bring the field to a new stage. Here we propose DPA-1, a Deep Potential model with a novel attention mechanism, which is highly effective for representing the conformation and chemical spaces of atomic systems and learning the PES. We tested DPA-1 on a number of systems ","authors_text":"Duo Zhang, Fu-Zhi Dai, Hangrui Bi, Han Wang, Linfeng Zhang, Wanrun Jiang","cross_cats":["cs.LG","physics.comp-ph"],"headline":"","license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2022-08-17T11:33:46Z","title":"DPA-1: Pretraining of Attention-based Deep Potential Model for Molecular Simulation"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2208.08236","kind":"arxiv","version":4},"verdict":{"created_at":null,"id":null,"model_set":{},"one_line_summary":"","pipeline_version":null,"pith_extraction_headline":"","strongest_claim":"","weakest_assumption":""}},"verdict_id":null}}],"author_attestations":[],"timestamp_anchors":[],"storage_attestations":[],"citation_signatures":[],"replication_records":[],"corrections":[],"mirror_hints":[],"record_created":{"event_id":"sha256:225b921b5195464bf83aba1f659d34d88040801b64f3ac79f5c7a208960c50d8","target":"record","created_at":"2026-07-05T06:50:52Z","signer":{"key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signer_id":"pith.science","signer_type":"pith_registry"},"payload":{"attestation_state":"computed","canonical_record":{"metadata":{"abstract_canon_sha256":"81a3ed4946dfe83927985d53a44e8166a313e7e272394d78bf0db86767a37da5","cross_cats_sorted":["cs.LG","physics.comp-ph"],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2022-08-17T11:33:46Z","title_canon_sha256":"04ee2f8bd9276248c266efea058cb54e83e0e73a4075f61092e1f9be7a405624"},"schema_version":"1.0","source":{"id":"2208.08236","kind":"arxiv","version":4}},"canonical_sha256":"698a9fe404968d87c80b685a148c530eee15028671947139d65e7bd1d7b75e45","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"698a9fe404968d87c80b685a148c530eee15028671947139d65e7bd1d7b75e45","first_computed_at":"2026-07-05T06:50:52.005625Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T06:50:52.005625Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"ObjO2+HK5To9tRbcvKa627viihftzplE+PJj3M/KRw925vrLMnvAOmJ1qxMPgrFmSwh91/prRVl+/5YRGi32AA==","signature_status":"signed_v1","signed_at":"2026-07-05T06:50:52.006002Z","signed_message":"canonical_sha256_bytes"},"source_id":"2208.08236","source_kind":"arxiv","source_version":4}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:225b921b5195464bf83aba1f659d34d88040801b64f3ac79f5c7a208960c50d8","sha256:a4d604d50ed3f5ff28d479ca4f9e78fad18189b4daa367e2fc66b2bef8868439"],"state_sha256":"9a94405388c6f434d397c01c110c0888c8863e528396c6d9bcc64e54bf84efb7"}