{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2025:GEC54J3DSCQY4EXFQLZ63REEP6","short_pith_number":"pith:GEC54J3D","canonical_record":{"source":{"id":"2501.19179","kind":"arxiv","version":2},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2025-01-31T14:43:22Z","cross_cats_sorted":["cs.LG","physics.comp-ph"],"title_canon_sha256":"a78fe35df2a66ab1fb785d741c403b6ab1016d978da628ecb4e334137611e278","abstract_canon_sha256":"1fce7f4b93a3adedf11c63d072d270fe177a7b45f7f381262cbeb70091313dd1"},"schema_version":"1.0"},"canonical_sha256":"3105de276390a18e12e582f3edc4847f974d772277cc9ffd731387ff012910ee","source":{"kind":"arxiv","id":"2501.19179","version":2},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2501.19179","created_at":"2026-07-05T11:28:13Z"},{"alias_kind":"arxiv_version","alias_value":"2501.19179v2","created_at":"2026-07-05T11:28:13Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2501.19179","created_at":"2026-07-05T11:28:13Z"},{"alias_kind":"pith_short_12","alias_value":"GEC54J3DSCQY","created_at":"2026-07-05T11:28:13Z"},{"alias_kind":"pith_short_16","alias_value":"GEC54J3DSCQY4EXF","created_at":"2026-07-05T11:28:13Z"},{"alias_kind":"pith_short_8","alias_value":"GEC54J3D","created_at":"2026-07-05T11:28:13Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2025:GEC54J3DSCQY4EXFQLZ63REEP6","target":"record","payload":{"canonical_record":{"source":{"id":"2501.19179","kind":"arxiv","version":2},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2025-01-31T14:43:22Z","cross_cats_sorted":["cs.LG","physics.comp-ph"],"title_canon_sha256":"a78fe35df2a66ab1fb785d741c403b6ab1016d978da628ecb4e334137611e278","abstract_canon_sha256":"1fce7f4b93a3adedf11c63d072d270fe177a7b45f7f381262cbeb70091313dd1"},"schema_version":"1.0"},"canonical_sha256":"3105de276390a18e12e582f3edc4847f974d772277cc9ffd731387ff012910ee","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T11:28:13.857585Z","signature_b64":"Q9zZQ4lBA7FVG9hhSiP3D0bEMSBsA+g0E+rAuVo3jcbP+p5GYqcgAaS1rP6a6/Yir5GcFeKAFRfa3TaawwoeDQ==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"3105de276390a18e12e582f3edc4847f974d772277cc9ffd731387ff012910ee","last_reissued_at":"2026-07-05T11:28:13.857070Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T11:28:13.857070Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2501.19179","source_version":2,"attestation_state":"computed"},"signer":{"signer_id":"pith.science","signer_type":"pith_registry","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"created_at":"2026-07-05T11:28:13Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"U7t6Gm5Mphr9WNA7VSfYNUNP+c56PxoLpifnoQORkMtAu/dzeU2p2gpiT2kE3QBpkyRZ9Mv9+7+cC8PxM3ahDg==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-08T05:48:05.461954Z"},"content_sha256":"ec8228ca8dde1ed5be6814e5df1670fdee261a12122c4048c35448dd47fef584","schema_version":"1.0","event_id":"sha256:ec8228ca8dde1ed5be6814e5df1670fdee261a12122c4048c35448dd47fef584"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2025:GEC54J3DSCQY4EXFQLZ63REEP6","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Learning Non-Local Molecular Interactions via Equivariant Local Representations and Charge Equilibration","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":["cs.LG","physics.comp-ph"],"primary_cat":"physics.chem-ph","authors_text":"Julija Zavadlav, Micha{\\l} Sanocki, Paul Fuchs","submitted_at":"2025-01-31T14:43:22Z","abstract_excerpt":"Graph Neural Network (GNN) potentials relying on chemical locality offer near-quantum mechanical accuracy at significantly reduced computational costs. Message-passing GNNs model interactions beyond their immediate neighborhood by propagating local information between neighboring particles while remaining effectively local. However, locality precludes modeling long-range effects critical to many real-world systems, such as charge transfer, electrostatic interactions, and dispersion effects. In this work, we propose the Charge Equilibration Layer for Long-range Interactions (CELLI) to address t"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2501.19179","kind":"arxiv","version":2},"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/2501.19179/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":"2026-07-05T11:28:13Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"isTOls0C0iQtVjW7OEO+D6i/xeL6IL68NK5F+MtLgczMhXgGKcKzq337w8g8KL9yrL01XMuojIcwlZeZzuw6AQ==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-08T05:48:05.462496Z"},"content_sha256":"6971cfafe28358935b5072fb544a2e76a3bba7e5ba0a2cbf3335b11d927c1dcb","schema_version":"1.0","event_id":"sha256:6971cfafe28358935b5072fb544a2e76a3bba7e5ba0a2cbf3335b11d927c1dcb"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/GEC54J3DSCQY4EXFQLZ63REEP6/bundle.json","state_url":"https://pith.science/pith/GEC54J3DSCQY4EXFQLZ63REEP6/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/GEC54J3DSCQY4EXFQLZ63REEP6/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":"2026-08-08T05:48:05Z","links":{"resolver":"https://pith.science/pith/GEC54J3DSCQY4EXFQLZ63REEP6","bundle":"https://pith.science/pith/GEC54J3DSCQY4EXFQLZ63REEP6/bundle.json","state":"https://pith.science/pith/GEC54J3DSCQY4EXFQLZ63REEP6/state.json","well_known_bundle":"https://pith.science/.well-known/pith/GEC54J3DSCQY4EXFQLZ63REEP6/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2025:GEC54J3DSCQY4EXFQLZ63REEP6","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":"1fce7f4b93a3adedf11c63d072d270fe177a7b45f7f381262cbeb70091313dd1","cross_cats_sorted":["cs.LG","physics.comp-ph"],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2025-01-31T14:43:22Z","title_canon_sha256":"a78fe35df2a66ab1fb785d741c403b6ab1016d978da628ecb4e334137611e278"},"schema_version":"1.0","source":{"id":"2501.19179","kind":"arxiv","version":2}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2501.19179","created_at":"2026-07-05T11:28:13Z"},{"alias_kind":"arxiv_version","alias_value":"2501.19179v2","created_at":"2026-07-05T11:28:13Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2501.19179","created_at":"2026-07-05T11:28:13Z"},{"alias_kind":"pith_short_12","alias_value":"GEC54J3DSCQY","created_at":"2026-07-05T11:28:13Z"},{"alias_kind":"pith_short_16","alias_value":"GEC54J3DSCQY4EXF","created_at":"2026-07-05T11:28:13Z"},{"alias_kind":"pith_short_8","alias_value":"GEC54J3D","created_at":"2026-07-05T11:28:13Z"}],"graph_snapshots":[{"event_id":"sha256:6971cfafe28358935b5072fb544a2e76a3bba7e5ba0a2cbf3335b11d927c1dcb","target":"graph","created_at":"2026-07-05T11:28:13Z","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/2501.19179/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"Graph Neural Network (GNN) potentials relying on chemical locality offer near-quantum mechanical accuracy at significantly reduced computational costs. Message-passing GNNs model interactions beyond their immediate neighborhood by propagating local information between neighboring particles while remaining effectively local. However, locality precludes modeling long-range effects critical to many real-world systems, such as charge transfer, electrostatic interactions, and dispersion effects. In this work, we propose the Charge Equilibration Layer for Long-range Interactions (CELLI) to address t","authors_text":"Julija Zavadlav, Micha{\\l} Sanocki, Paul Fuchs","cross_cats":["cs.LG","physics.comp-ph"],"headline":"","license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2025-01-31T14:43:22Z","title":"Learning Non-Local Molecular Interactions via Equivariant Local Representations and Charge Equilibration"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2501.19179","kind":"arxiv","version":2},"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:ec8228ca8dde1ed5be6814e5df1670fdee261a12122c4048c35448dd47fef584","target":"record","created_at":"2026-07-05T11:28:13Z","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":"1fce7f4b93a3adedf11c63d072d270fe177a7b45f7f381262cbeb70091313dd1","cross_cats_sorted":["cs.LG","physics.comp-ph"],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2025-01-31T14:43:22Z","title_canon_sha256":"a78fe35df2a66ab1fb785d741c403b6ab1016d978da628ecb4e334137611e278"},"schema_version":"1.0","source":{"id":"2501.19179","kind":"arxiv","version":2}},"canonical_sha256":"3105de276390a18e12e582f3edc4847f974d772277cc9ffd731387ff012910ee","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"3105de276390a18e12e582f3edc4847f974d772277cc9ffd731387ff012910ee","first_computed_at":"2026-07-05T11:28:13.857070Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T11:28:13.857070Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"Q9zZQ4lBA7FVG9hhSiP3D0bEMSBsA+g0E+rAuVo3jcbP+p5GYqcgAaS1rP6a6/Yir5GcFeKAFRfa3TaawwoeDQ==","signature_status":"signed_v1","signed_at":"2026-07-05T11:28:13.857585Z","signed_message":"canonical_sha256_bytes"},"source_id":"2501.19179","source_kind":"arxiv","source_version":2}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:ec8228ca8dde1ed5be6814e5df1670fdee261a12122c4048c35448dd47fef584","sha256:6971cfafe28358935b5072fb544a2e76a3bba7e5ba0a2cbf3335b11d927c1dcb"],"state_sha256":"50dd553a47fcc165d827b27cfa1dfa3e5fc6487a5d2d4be8482d1cf8153368b5"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"L7h7F/xBu+a3MZ+ncoBypfpamUHqyAFYE4DG49HpaxAExTJnVoP/rYcAwicO5MdhN1bIXBQ24JIc5/jT/1V7AA==","signed_message":"bundle_sha256_bytes","signed_at":"2026-08-08T05:48:05.465956Z","bundle_sha256":"6e972ad520aadb3da68f3b3c1820f61410d96e9cfeeef58e1cf7e6078df6d019"}}