{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2022:3O5QPBSIAPVZAMTEHPYKROT4QR","short_pith_number":"pith:3O5QPBSI","canonical_record":{"source":{"id":"2212.10508","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"math.NA","submitted_at":"2022-12-20T18:26:09Z","cross_cats_sorted":["cs.NA"],"title_canon_sha256":"e7dcc49aee2425b2c554208ee7884678d29f386a351a11e08aa955b1daf48372","abstract_canon_sha256":"9ad53a47a226abb745888f191e0bd9af9a3e2a65c13353e62817c91ed02e40e5"},"schema_version":"1.0"},"canonical_sha256":"dbbb07864803eb9032643bf0a8ba7c846d014c227f2afd45a8d56b01006027e8","source":{"kind":"arxiv","id":"2212.10508","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2212.10508","created_at":"2026-07-05T05:27:08Z"},{"alias_kind":"arxiv_version","alias_value":"2212.10508v1","created_at":"2026-07-05T05:27:08Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2212.10508","created_at":"2026-07-05T05:27:08Z"},{"alias_kind":"pith_short_12","alias_value":"3O5QPBSIAPVZ","created_at":"2026-07-05T05:27:08Z"},{"alias_kind":"pith_short_16","alias_value":"3O5QPBSIAPVZAMTE","created_at":"2026-07-05T05:27:08Z"},{"alias_kind":"pith_short_8","alias_value":"3O5QPBSI","created_at":"2026-07-05T05:27:08Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2022:3O5QPBSIAPVZAMTEHPYKROT4QR","target":"record","payload":{"canonical_record":{"source":{"id":"2212.10508","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"math.NA","submitted_at":"2022-12-20T18:26:09Z","cross_cats_sorted":["cs.NA"],"title_canon_sha256":"e7dcc49aee2425b2c554208ee7884678d29f386a351a11e08aa955b1daf48372","abstract_canon_sha256":"9ad53a47a226abb745888f191e0bd9af9a3e2a65c13353e62817c91ed02e40e5"},"schema_version":"1.0"},"canonical_sha256":"dbbb07864803eb9032643bf0a8ba7c846d014c227f2afd45a8d56b01006027e8","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T05:27:08.211096Z","signature_b64":"om5sN1rP4RiI6uD9C2yWkVHPplOhBN1IYBMA5K55+GQbywM0QOjivtapdQyvV8WR0hwgPtJ1DZbiX1H6pvKYDg==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"dbbb07864803eb9032643bf0a8ba7c846d014c227f2afd45a8d56b01006027e8","last_reissued_at":"2026-07-05T05:27:08.210693Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T05:27:08.210693Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2212.10508","source_version":1,"attestation_state":"computed"},"signer":{"signer_id":"pith.science","signer_type":"pith_registry","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"created_at":"2026-07-05T05:27:08Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"4k5PPZ8nZm/egxQ6tqTJvX/Rrh51AlYd1cQzQYAQ5y6p51HfbNWcSg+tCzfgfYZ7fG+RPlfkmLoSUboBZTNbAA==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-04T13:20:45.888817Z"},"content_sha256":"377a059fa39f9aae5c607ffefe40a811502c917ad33916c5fcb7c98e2713be4e","schema_version":"1.0","event_id":"sha256:377a059fa39f9aae5c607ffefe40a811502c917ad33916c5fcb7c98e2713be4e"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2022:3O5QPBSIAPVZAMTEHPYKROT4QR","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Combining machine-learned and empirical force fields with the parareal algorithm: application to the diffusion of atomistic defects","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cs.NA"],"primary_cat":"math.NA","authors_text":"Danny Perez, Frederic Legoll, Olga Gorynina, Tony Lelievre","submitted_at":"2022-12-20T18:26:09Z","abstract_excerpt":"We numerically investigate an adaptive version of the parareal algorithm in the context of molecular dynamics. This adaptive variant has been originally introduced in [F. Legoll, T. Lelievre and U. Sharma, SISC 2022]. We focus here on test cases of physical interest where the dynamics of the system is modelled by the Langevin equation and is simulated using the molecular dynamics software LAMMPS. In this work, the parareal algorithm uses a family of machine-learning spectral neighbor analysis potentials (SNAP) as fine, reference, potentials and embedded-atom method potentials (EAM) as coarse p"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2212.10508","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/2212.10508/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"},"verdict_id":null},"signer":{"signer_id":"pith.science","signer_type":"pith_registry","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"created_at":"2026-07-05T05:27:08Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"4KVCvRPBpyMmOc4yfTWRW/1hbKJ9OOjtDRgnzkpO/CGAQB1IAvtGfliUCExQnQZtJ+HsP9vu2xN3ToDyW5iZCA==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-04T13:20:45.889905Z"},"content_sha256":"44bb723e0755c286bcc2f9b49461709a5cc33b999436f22147da0645a8eee5a1","schema_version":"1.0","event_id":"sha256:44bb723e0755c286bcc2f9b49461709a5cc33b999436f22147da0645a8eee5a1"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/3O5QPBSIAPVZAMTEHPYKROT4QR/bundle.json","state_url":"https://pith.science/pith/3O5QPBSIAPVZAMTEHPYKROT4QR/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/3O5QPBSIAPVZAMTEHPYKROT4QR/bundle.json","status":"primary"}],"public_keys":[{"key_id":"pith-v1-2026-05","algorithm":"ed25519","format":"raw","public_key_b64":"stVStoiQhXFxp4s2pdzPNoqVNBMojDU/fJ2db5S3CbM=","public_key_hex":"b2d552b68890857171a78b36a5dccf368a953413288c353f7c9d9d6f94b709b3","fingerprint_sha256_b32_first128bits":"RVFV5Z2OI2J3ZUO7ERDEBCYNKS","fingerprint_sha256_hex":"8d4b5ee74e4693bcd1df2446408b0d54","rotates_at":null,"url":"https://pith.science/pith-signing-key.json","notes":"Pith uses this Ed25519 key to sign canonical record SHA-256 digests. Verify with: ed25519_verify(public_key, message=canonical_sha256_bytes, signature=base64decode(signature_b64))."}],"merge_version":"pith-open-graph-merge-v1","built_at":"2026-08-04T13:20:45Z","links":{"resolver":"https://pith.science/pith/3O5QPBSIAPVZAMTEHPYKROT4QR","bundle":"https://pith.science/pith/3O5QPBSIAPVZAMTEHPYKROT4QR/bundle.json","state":"https://pith.science/pith/3O5QPBSIAPVZAMTEHPYKROT4QR/state.json","well_known_bundle":"https://pith.science/.well-known/pith/3O5QPBSIAPVZAMTEHPYKROT4QR/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2022:3O5QPBSIAPVZAMTEHPYKROT4QR","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":"9ad53a47a226abb745888f191e0bd9af9a3e2a65c13353e62817c91ed02e40e5","cross_cats_sorted":["cs.NA"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"math.NA","submitted_at":"2022-12-20T18:26:09Z","title_canon_sha256":"e7dcc49aee2425b2c554208ee7884678d29f386a351a11e08aa955b1daf48372"},"schema_version":"1.0","source":{"id":"2212.10508","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2212.10508","created_at":"2026-07-05T05:27:08Z"},{"alias_kind":"arxiv_version","alias_value":"2212.10508v1","created_at":"2026-07-05T05:27:08Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2212.10508","created_at":"2026-07-05T05:27:08Z"},{"alias_kind":"pith_short_12","alias_value":"3O5QPBSIAPVZ","created_at":"2026-07-05T05:27:08Z"},{"alias_kind":"pith_short_16","alias_value":"3O5QPBSIAPVZAMTE","created_at":"2026-07-05T05:27:08Z"},{"alias_kind":"pith_short_8","alias_value":"3O5QPBSI","created_at":"2026-07-05T05:27:08Z"}],"graph_snapshots":[{"event_id":"sha256:44bb723e0755c286bcc2f9b49461709a5cc33b999436f22147da0645a8eee5a1","target":"graph","created_at":"2026-07-05T05:27:08Z","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/2212.10508/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"We numerically investigate an adaptive version of the parareal algorithm in the context of molecular dynamics. This adaptive variant has been originally introduced in [F. Legoll, T. Lelievre and U. Sharma, SISC 2022]. We focus here on test cases of physical interest where the dynamics of the system is modelled by the Langevin equation and is simulated using the molecular dynamics software LAMMPS. In this work, the parareal algorithm uses a family of machine-learning spectral neighbor analysis potentials (SNAP) as fine, reference, potentials and embedded-atom method potentials (EAM) as coarse p","authors_text":"Danny Perez, Frederic Legoll, Olga Gorynina, Tony Lelievre","cross_cats":["cs.NA"],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"math.NA","submitted_at":"2022-12-20T18:26:09Z","title":"Combining machine-learned and empirical force fields with the parareal algorithm: application to the diffusion of atomistic defects"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2212.10508","kind":"arxiv","version":1},"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":"sha256:377a059fa39f9aae5c607ffefe40a811502c917ad33916c5fcb7c98e2713be4e","target":"record","created_at":"2026-07-05T05:27:08Z","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":"9ad53a47a226abb745888f191e0bd9af9a3e2a65c13353e62817c91ed02e40e5","cross_cats_sorted":["cs.NA"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"math.NA","submitted_at":"2022-12-20T18:26:09Z","title_canon_sha256":"e7dcc49aee2425b2c554208ee7884678d29f386a351a11e08aa955b1daf48372"},"schema_version":"1.0","source":{"id":"2212.10508","kind":"arxiv","version":1}},"canonical_sha256":"dbbb07864803eb9032643bf0a8ba7c846d014c227f2afd45a8d56b01006027e8","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"dbbb07864803eb9032643bf0a8ba7c846d014c227f2afd45a8d56b01006027e8","first_computed_at":"2026-07-05T05:27:08.210693Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T05:27:08.210693Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"om5sN1rP4RiI6uD9C2yWkVHPplOhBN1IYBMA5K55+GQbywM0QOjivtapdQyvV8WR0hwgPtJ1DZbiX1H6pvKYDg==","signature_status":"signed_v1","signed_at":"2026-07-05T05:27:08.211096Z","signed_message":"canonical_sha256_bytes"},"source_id":"2212.10508","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:377a059fa39f9aae5c607ffefe40a811502c917ad33916c5fcb7c98e2713be4e","sha256:44bb723e0755c286bcc2f9b49461709a5cc33b999436f22147da0645a8eee5a1"],"state_sha256":"544cdb5b0ed4e0a65394e8367ac59c44e8928805fb1808a9ec8b4e9333813415"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"kZEoNxwHz3+IFeK2ctQuKH+GiDmGe3jZ19OQwHP0TSxxuxKwgcpgSwWAZEaljCHeIkXfK28i/rPJx55L7WFxCw==","signed_message":"bundle_sha256_bytes","signed_at":"2026-08-04T13:20:45.896358Z","bundle_sha256":"663884cbbb01a8ad8ca43117a7ae6df945b9f54f1fedbf5b5b3592c58e810c3b"}}