{"record_type":"pith_number_record","schema_url":"https://pith.science/schemas/pith-number/v1.json","pith_number":"pith:2022:C3KPYMAHPTF4MML5BLFDWETDEG","short_pith_number":"pith:C3KPYMAH","schema_version":"1.0","canonical_sha256":"16d4fc30077ccbc6317d0aca3b1263218f323ab052d390af44dd3c42cba3ff85","source":{"kind":"arxiv","id":"2203.06123","version":2},"attestation_state":"computed","paper":{"title":"An Empirical Study of Graphormer on Large-Scale Molecular Modeling Datasets","license":"http://creativecommons.org/licenses/by-nc-sa/4.0/","headline":"","cross_cats":["cs.CE","cs.LG"],"primary_cat":"physics.chem-ph","authors_text":"Chang Liu, Di He, Guolin Ke, Jiacheng You, Jiyan He, Shengjie Luo, Shuxin Zheng, Tie-Yan Liu, Yifei Shen, Yu Shi","submitted_at":"2022-02-28T16:32:42Z","abstract_excerpt":"This technical note describes the recent updates of Graphormer, including architecture design modifications, and the adaption to 3D molecular dynamics simulation. The \"Graphormer-V2\" could attain better results on large-scale molecular modeling datasets than the vanilla one, and the performance gain could be consistently obtained on downstream tasks. In addition, we show that with a global receptive field and an adaptive aggregation strategy, Graphormer is more powerful than classic message-passing-based GNNs. Graphormer-V2 achieves much less MAE than the vanilla Graphormer on the PCQM4M quant"},"verification_status":{"content_addressed":true,"pith_receipt":true,"author_attested":false,"weak_author_claims":0,"strong_author_claims":0,"externally_anchored":false,"storage_verified":false,"citation_signatures":0,"replication_records":0,"graph_snapshot":true,"references_resolved":false,"formal_links_present":false},"canonical_record":{"source":{"id":"2203.06123","kind":"arxiv","version":2},"metadata":{"license":"http://creativecommons.org/licenses/by-nc-sa/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2022-02-28T16:32:42Z","cross_cats_sorted":["cs.CE","cs.LG"],"title_canon_sha256":"347ee01b505db5358c744f23be643cf6f356426711e6cd245e18fd494950f58b","abstract_canon_sha256":"5da38502f1fb88f8d4feb326edd77cc0259eaffe26338e0dbfb297ad5da12297"},"schema_version":"1.0"},"receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T04:04:47.897541Z","signature_b64":"jrQzaYa8rw4KtwVT9G5oxmekY5A9bb8IH+CRvL5DAfMnRwMqih5Ws15PnovyETf6weODKHcbhPVhEMEblINpDA==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"16d4fc30077ccbc6317d0aca3b1263218f323ab052d390af44dd3c42cba3ff85","last_reissued_at":"2026-07-05T04:04:47.897058Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T04:04:47.897058Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"graph_snapshot":{"paper":{"title":"An Empirical Study of Graphormer on Large-Scale Molecular Modeling Datasets","license":"http://creativecommons.org/licenses/by-nc-sa/4.0/","headline":"","cross_cats":["cs.CE","cs.LG"],"primary_cat":"physics.chem-ph","authors_text":"Chang Liu, Di He, Guolin Ke, Jiacheng You, Jiyan He, Shengjie Luo, Shuxin Zheng, Tie-Yan Liu, Yifei Shen, Yu Shi","submitted_at":"2022-02-28T16:32:42Z","abstract_excerpt":"This technical note describes the recent updates of Graphormer, including architecture design modifications, and the adaption to 3D molecular dynamics simulation. The \"Graphormer-V2\" could attain better results on large-scale molecular modeling datasets than the vanilla one, and the performance gain could be consistently obtained on downstream tasks. In addition, we show that with a global receptive field and an adaptive aggregation strategy, Graphormer is more powerful than classic message-passing-based GNNs. Graphormer-V2 achieves much less MAE than the vanilla Graphormer on the PCQM4M quant"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2203.06123","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/2203.06123/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"},"aliases":[{"alias_kind":"arxiv","alias_value":"2203.06123","created_at":"2026-07-05T04:04:47.897115+00:00"},{"alias_kind":"arxiv_version","alias_value":"2203.06123v2","created_at":"2026-07-05T04:04:47.897115+00:00"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2203.06123","created_at":"2026-07-05T04:04:47.897115+00:00"},{"alias_kind":"pith_short_12","alias_value":"C3KPYMAHPTF4","created_at":"2026-07-05T04:04:47.897115+00:00"},{"alias_kind":"pith_short_16","alias_value":"C3KPYMAHPTF4MML5","created_at":"2026-07-05T04:04:47.897115+00:00"},{"alias_kind":"pith_short_8","alias_value":"C3KPYMAH","created_at":"2026-07-05T04:04:47.897115+00:00"}],"events":[],"event_summary":{},"paper_claims":[],"inbound_citations":{"count":0,"internal_anchor_count":0,"sample":[]},"formal_canon":{"evidence_count":0,"sample":[],"anchors":[]},"links":{"html":"https://pith.science/pith/C3KPYMAHPTF4MML5BLFDWETDEG","json":"https://pith.science/pith/C3KPYMAHPTF4MML5BLFDWETDEG.json","graph_json":"https://pith.science/api/pith-number/C3KPYMAHPTF4MML5BLFDWETDEG/graph.json","events_json":"https://pith.science/api/pith-number/C3KPYMAHPTF4MML5BLFDWETDEG/events.json","paper":"https://pith.science/paper/C3KPYMAH"},"agent_actions":{"view_html":"https://pith.science/pith/C3KPYMAHPTF4MML5BLFDWETDEG","download_json":"https://pith.science/pith/C3KPYMAHPTF4MML5BLFDWETDEG.json","view_paper":"https://pith.science/paper/C3KPYMAH","resolve_alias":"https://pith.science/api/pith-number/resolve?arxiv=2203.06123&json=true","fetch_graph":"https://pith.science/api/pith-number/C3KPYMAHPTF4MML5BLFDWETDEG/graph.json","fetch_events":"https://pith.science/api/pith-number/C3KPYMAHPTF4MML5BLFDWETDEG/events.json","actions":{"anchor_timestamp":"https://pith.science/pith/C3KPYMAHPTF4MML5BLFDWETDEG/action/timestamp_anchor","attest_storage":"https://pith.science/pith/C3KPYMAHPTF4MML5BLFDWETDEG/action/storage_attestation","attest_author":"https://pith.science/pith/C3KPYMAHPTF4MML5BLFDWETDEG/action/author_attestation","sign_citation":"https://pith.science/pith/C3KPYMAHPTF4MML5BLFDWETDEG/action/citation_signature","submit_replication":"https://pith.science/pith/C3KPYMAHPTF4MML5BLFDWETDEG/action/replication_record"}},"created_at":"2026-07-05T04:04:47.897115+00:00","updated_at":"2026-07-05T04:04:47.897115+00:00"}