{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2023:WX4EG5ZP7JMHLN4MTDTLUV3IRE","short_pith_number":"pith:WX4EG5ZP","canonical_record":{"source":{"id":"2305.12618","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cs.LG","submitted_at":"2023-05-22T00:56:00Z","cross_cats_sorted":["cs.AI","q-bio.QM"],"title_canon_sha256":"0655962507ce2f9359f49428b5853b102de5ca76f6fa085e1d58ab5c7bae6a87","abstract_canon_sha256":"574e25730e1927a494b44451211c19537dfcc09afba9a9ec68a0313144c315df"},"schema_version":"1.0"},"canonical_sha256":"b5f843772ffa5875b78c98e6ba5768891ca08de2ce529e630bbbf0dd9b2b89ae","source":{"kind":"arxiv","id":"2305.12618","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2305.12618","created_at":"2026-07-05T06:12:12Z"},{"alias_kind":"arxiv_version","alias_value":"2305.12618v1","created_at":"2026-07-05T06:12:12Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2305.12618","created_at":"2026-07-05T06:12:12Z"},{"alias_kind":"pith_short_12","alias_value":"WX4EG5ZP7JMH","created_at":"2026-07-05T06:12:12Z"},{"alias_kind":"pith_short_16","alias_value":"WX4EG5ZP7JMHLN4M","created_at":"2026-07-05T06:12:12Z"},{"alias_kind":"pith_short_8","alias_value":"WX4EG5ZP","created_at":"2026-07-05T06:12:12Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2023:WX4EG5ZP7JMHLN4MTDTLUV3IRE","target":"record","payload":{"canonical_record":{"source":{"id":"2305.12618","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cs.LG","submitted_at":"2023-05-22T00:56:00Z","cross_cats_sorted":["cs.AI","q-bio.QM"],"title_canon_sha256":"0655962507ce2f9359f49428b5853b102de5ca76f6fa085e1d58ab5c7bae6a87","abstract_canon_sha256":"574e25730e1927a494b44451211c19537dfcc09afba9a9ec68a0313144c315df"},"schema_version":"1.0"},"canonical_sha256":"b5f843772ffa5875b78c98e6ba5768891ca08de2ce529e630bbbf0dd9b2b89ae","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T06:12:12.455359Z","signature_b64":"lRwulhMadGRq9v6pviR4w6qbWd/6ym/0qWdulpH0mZe3DsxmRDVRX5tq7BOnvhGxeaCFoZXIwfUQikqVDQgBDw==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"b5f843772ffa5875b78c98e6ba5768891ca08de2ce529e630bbbf0dd9b2b89ae","last_reissued_at":"2026-07-05T06:12:12.455020Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T06:12:12.455020Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2305.12618","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":"2026-07-05T06:12:12Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"/GqU9jU/NT6tlVcUuPfQRpj1DXyoNn6QIL6C5lXmvQCT15mo4ud70Kr2SYto1DvcnJkUXGLLqpnnBICTYNz8DQ==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-23T00:07:58.686352Z"},"content_sha256":"a4ac0201e7de17882e5217051af0b43f452aa7d378ce5f8fa2b9bac7710438e0","schema_version":"1.0","event_id":"sha256:a4ac0201e7de17882e5217051af0b43f452aa7d378ce5f8fa2b9bac7710438e0"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2023:WX4EG5ZP7JMHLN4MTDTLUV3IRE","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Atomic and Subgraph-aware Bilateral Aggregation for Molecular Representation Learning","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cs.AI","q-bio.QM"],"primary_cat":"cs.LG","authors_text":"Bing Su, Jiahao Chen, Jiangmeng Li, Jirong Wen, Yurou Liu","submitted_at":"2023-05-22T00:56:00Z","abstract_excerpt":"Molecular representation learning is a crucial task in predicting molecular properties. Molecules are often modeled as graphs where atoms and chemical bonds are represented as nodes and edges, respectively, and Graph Neural Networks (GNNs) have been commonly utilized to predict atom-related properties, such as reactivity and solubility. However, functional groups (subgraphs) are closely related to some chemical properties of molecules, such as efficacy, and metabolic properties, which cannot be solely determined by individual atoms. In this paper, we introduce a new model for molecular represe"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2305.12618","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/2305.12618/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":"2026-07-05T06:12:12Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"FX/4DKW8gcOz73V+td6+SSfWTr9clHW31UyyPZ4tr6Q2vuv/w1rnApjcAB5XxIHHMe4Ls/+mLBYniv1js5IFAQ==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-23T00:07:58.687102Z"},"content_sha256":"8e91bf05abade9b554962c1694faff9f663ffea195982cceb7719dd6fef5c30a","schema_version":"1.0","event_id":"sha256:8e91bf05abade9b554962c1694faff9f663ffea195982cceb7719dd6fef5c30a"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/WX4EG5ZP7JMHLN4MTDTLUV3IRE/bundle.json","state_url":"https://pith.science/pith/WX4EG5ZP7JMHLN4MTDTLUV3IRE/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/WX4EG5ZP7JMHLN4MTDTLUV3IRE/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":"2026-08-23T00:07:58Z","links":{"resolver":"https://pith.science/pith/WX4EG5ZP7JMHLN4MTDTLUV3IRE","bundle":"https://pith.science/pith/WX4EG5ZP7JMHLN4MTDTLUV3IRE/bundle.json","state":"https://pith.science/pith/WX4EG5ZP7JMHLN4MTDTLUV3IRE/state.json","well_known_bundle":"https://pith.science/.well-known/pith/WX4EG5ZP7JMHLN4MTDTLUV3IRE/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2023:WX4EG5ZP7JMHLN4MTDTLUV3IRE","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":"574e25730e1927a494b44451211c19537dfcc09afba9a9ec68a0313144c315df","cross_cats_sorted":["cs.AI","q-bio.QM"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cs.LG","submitted_at":"2023-05-22T00:56:00Z","title_canon_sha256":"0655962507ce2f9359f49428b5853b102de5ca76f6fa085e1d58ab5c7bae6a87"},"schema_version":"1.0","source":{"id":"2305.12618","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2305.12618","created_at":"2026-07-05T06:12:12Z"},{"alias_kind":"arxiv_version","alias_value":"2305.12618v1","created_at":"2026-07-05T06:12:12Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2305.12618","created_at":"2026-07-05T06:12:12Z"},{"alias_kind":"pith_short_12","alias_value":"WX4EG5ZP7JMH","created_at":"2026-07-05T06:12:12Z"},{"alias_kind":"pith_short_16","alias_value":"WX4EG5ZP7JMHLN4M","created_at":"2026-07-05T06:12:12Z"},{"alias_kind":"pith_short_8","alias_value":"WX4EG5ZP","created_at":"2026-07-05T06:12:12Z"}],"graph_snapshots":[{"event_id":"sha256:8e91bf05abade9b554962c1694faff9f663ffea195982cceb7719dd6fef5c30a","target":"graph","created_at":"2026-07-05T06:12:12Z","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/2305.12618/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"Molecular representation learning is a crucial task in predicting molecular properties. Molecules are often modeled as graphs where atoms and chemical bonds are represented as nodes and edges, respectively, and Graph Neural Networks (GNNs) have been commonly utilized to predict atom-related properties, such as reactivity and solubility. However, functional groups (subgraphs) are closely related to some chemical properties of molecules, such as efficacy, and metabolic properties, which cannot be solely determined by individual atoms. In this paper, we introduce a new model for molecular represe","authors_text":"Bing Su, Jiahao Chen, Jiangmeng Li, Jirong Wen, Yurou Liu","cross_cats":["cs.AI","q-bio.QM"],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cs.LG","submitted_at":"2023-05-22T00:56:00Z","title":"Atomic and Subgraph-aware Bilateral Aggregation for Molecular Representation Learning"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2305.12618","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:a4ac0201e7de17882e5217051af0b43f452aa7d378ce5f8fa2b9bac7710438e0","target":"record","created_at":"2026-07-05T06:12:12Z","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":"574e25730e1927a494b44451211c19537dfcc09afba9a9ec68a0313144c315df","cross_cats_sorted":["cs.AI","q-bio.QM"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cs.LG","submitted_at":"2023-05-22T00:56:00Z","title_canon_sha256":"0655962507ce2f9359f49428b5853b102de5ca76f6fa085e1d58ab5c7bae6a87"},"schema_version":"1.0","source":{"id":"2305.12618","kind":"arxiv","version":1}},"canonical_sha256":"b5f843772ffa5875b78c98e6ba5768891ca08de2ce529e630bbbf0dd9b2b89ae","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"b5f843772ffa5875b78c98e6ba5768891ca08de2ce529e630bbbf0dd9b2b89ae","first_computed_at":"2026-07-05T06:12:12.455020Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T06:12:12.455020Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"lRwulhMadGRq9v6pviR4w6qbWd/6ym/0qWdulpH0mZe3DsxmRDVRX5tq7BOnvhGxeaCFoZXIwfUQikqVDQgBDw==","signature_status":"signed_v1","signed_at":"2026-07-05T06:12:12.455359Z","signed_message":"canonical_sha256_bytes"},"source_id":"2305.12618","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:a4ac0201e7de17882e5217051af0b43f452aa7d378ce5f8fa2b9bac7710438e0","sha256:8e91bf05abade9b554962c1694faff9f663ffea195982cceb7719dd6fef5c30a"],"state_sha256":"b00b20e5e6292334880b378171031cbbb0bd3264ba52d86cb868036003a7b62b"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"+wbasAA1qn5dJ/sP/6cyPIjHOcgfIddDYvJxxUHsdnWPxNQ0ELnlNdBMrcQwKqJNKQLMEllZGoUrmApwki4PDQ==","signed_message":"bundle_sha256_bytes","signed_at":"2026-08-23T00:07:58.690586Z","bundle_sha256":"41831e1577f3a75f5edc673bd4d246ac4d9285e16cadbaa5e8de8878e95a5816"}}