{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2021:BA4DKOSYBG5CSLSHJJ2OIYZLZO","short_pith_number":"pith:BA4DKOSY","canonical_record":{"source":{"id":"2104.04345","kind":"arxiv","version":1},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cs.LG","submitted_at":"2021-04-09T13:13:06Z","cross_cats_sorted":[],"title_canon_sha256":"34601564be7671f59e83552226425872851ffebfbf9f1712a558c93859cc78f5","abstract_canon_sha256":"ceee8029b6eb4fdbc3f3a532236645cc6b1d9d2fcc7bc7853a0466483409824c"},"schema_version":"1.0"},"canonical_sha256":"0838353a5809ba292e474a74e4632bcb828357eda76487edff41a8f46b19eedd","source":{"kind":"arxiv","id":"2104.04345","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2104.04345","created_at":"2026-07-05T02:30:38Z"},{"alias_kind":"arxiv_version","alias_value":"2104.04345v1","created_at":"2026-07-05T02:30:38Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2104.04345","created_at":"2026-07-05T02:30:38Z"},{"alias_kind":"pith_short_12","alias_value":"BA4DKOSYBG5C","created_at":"2026-07-05T02:30:38Z"},{"alias_kind":"pith_short_16","alias_value":"BA4DKOSYBG5CSLSH","created_at":"2026-07-05T02:30:38Z"},{"alias_kind":"pith_short_8","alias_value":"BA4DKOSY","created_at":"2026-07-05T02:30:38Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2021:BA4DKOSYBG5CSLSHJJ2OIYZLZO","target":"record","payload":{"canonical_record":{"source":{"id":"2104.04345","kind":"arxiv","version":1},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cs.LG","submitted_at":"2021-04-09T13:13:06Z","cross_cats_sorted":[],"title_canon_sha256":"34601564be7671f59e83552226425872851ffebfbf9f1712a558c93859cc78f5","abstract_canon_sha256":"ceee8029b6eb4fdbc3f3a532236645cc6b1d9d2fcc7bc7853a0466483409824c"},"schema_version":"1.0"},"canonical_sha256":"0838353a5809ba292e474a74e4632bcb828357eda76487edff41a8f46b19eedd","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T02:30:38.228097Z","signature_b64":"u+em4T9PLoDyn3Mq8fDvjVsyK02EcndoG3GqcHSjst7UGqIgPrYJWUat0rGrPBWR0BPbunfk3tH8+okDAGsmAQ==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"0838353a5809ba292e474a74e4632bcb828357eda76487edff41a8f46b19eedd","last_reissued_at":"2026-07-05T02:30:38.227683Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T02:30:38.227683Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2104.04345","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":"2026-07-05T02:30:38Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"THLcD9GQVk1NBmDCYolfMjz7+o/Oqv2o98dVHaHoGjaCJ+S69E+Ldx2bIxB1RoCJWQMmUTwWYkEawrHVreX6Cg==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-16T23:59:15.140270Z"},"content_sha256":"35c5c730c78cd3e2e1a65315b5c8e11a7fb607261f069d72eab30a2726897c99","schema_version":"1.0","event_id":"sha256:35c5c730c78cd3e2e1a65315b5c8e11a7fb607261f069d72eab30a2726897c99"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2021:BA4DKOSYBG5CSLSHJJ2OIYZLZO","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"A Graph VAE and Graph Transformer Approach to Generating Molecular Graphs","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":[],"primary_cat":"cs.LG","authors_text":"Hans M. Senn, Joshua Mitton, Klaas Wynne, Roderick Murray-Smith","submitted_at":"2021-04-09T13:13:06Z","abstract_excerpt":"We propose a combination of a variational autoencoder and a transformer based model which fully utilises graph convolutional and graph pooling layers to operate directly on graphs. The transformer model implements a novel node encoding layer, replacing the position encoding typically used in transformers, to create a transformer with no position information that operates on graphs, encoding adjacent node properties into the edge generation process. The proposed model builds on graph generative work operating on graphs with edge features, creating a model that offers improved scalability with t"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2104.04345","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/2104.04345/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":"2026-07-05T02:30:38Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"k6Kp218k4xorM9zJLAplN2L1+eo2/wyyX0tcGWdhtRgzVbQ5XCs5N0cAW0WQtVOj9zHsgVksUXvzNvpvdB4VDw==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-16T23:59:15.140791Z"},"content_sha256":"4b2ddea437cf0a82bd4f28504240528969697150d7b13df7866275d4c5ba76aa","schema_version":"1.0","event_id":"sha256:4b2ddea437cf0a82bd4f28504240528969697150d7b13df7866275d4c5ba76aa"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/BA4DKOSYBG5CSLSHJJ2OIYZLZO/bundle.json","state_url":"https://pith.science/pith/BA4DKOSYBG5CSLSHJJ2OIYZLZO/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/BA4DKOSYBG5CSLSHJJ2OIYZLZO/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":"2026-08-16T23:59:15Z","links":{"resolver":"https://pith.science/pith/BA4DKOSYBG5CSLSHJJ2OIYZLZO","bundle":"https://pith.science/pith/BA4DKOSYBG5CSLSHJJ2OIYZLZO/bundle.json","state":"https://pith.science/pith/BA4DKOSYBG5CSLSHJJ2OIYZLZO/state.json","well_known_bundle":"https://pith.science/.well-known/pith/BA4DKOSYBG5CSLSHJJ2OIYZLZO/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2021:BA4DKOSYBG5CSLSHJJ2OIYZLZO","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":"ceee8029b6eb4fdbc3f3a532236645cc6b1d9d2fcc7bc7853a0466483409824c","cross_cats_sorted":[],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cs.LG","submitted_at":"2021-04-09T13:13:06Z","title_canon_sha256":"34601564be7671f59e83552226425872851ffebfbf9f1712a558c93859cc78f5"},"schema_version":"1.0","source":{"id":"2104.04345","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2104.04345","created_at":"2026-07-05T02:30:38Z"},{"alias_kind":"arxiv_version","alias_value":"2104.04345v1","created_at":"2026-07-05T02:30:38Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2104.04345","created_at":"2026-07-05T02:30:38Z"},{"alias_kind":"pith_short_12","alias_value":"BA4DKOSYBG5C","created_at":"2026-07-05T02:30:38Z"},{"alias_kind":"pith_short_16","alias_value":"BA4DKOSYBG5CSLSH","created_at":"2026-07-05T02:30:38Z"},{"alias_kind":"pith_short_8","alias_value":"BA4DKOSY","created_at":"2026-07-05T02:30:38Z"}],"graph_snapshots":[{"event_id":"sha256:4b2ddea437cf0a82bd4f28504240528969697150d7b13df7866275d4c5ba76aa","target":"graph","created_at":"2026-07-05T02:30:38Z","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/2104.04345/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"We propose a combination of a variational autoencoder and a transformer based model which fully utilises graph convolutional and graph pooling layers to operate directly on graphs. The transformer model implements a novel node encoding layer, replacing the position encoding typically used in transformers, to create a transformer with no position information that operates on graphs, encoding adjacent node properties into the edge generation process. The proposed model builds on graph generative work operating on graphs with edge features, creating a model that offers improved scalability with t","authors_text":"Hans M. Senn, Joshua Mitton, Klaas Wynne, Roderick Murray-Smith","cross_cats":[],"headline":"","license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cs.LG","submitted_at":"2021-04-09T13:13:06Z","title":"A Graph VAE and Graph Transformer Approach to Generating Molecular Graphs"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2104.04345","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":"sha256:35c5c730c78cd3e2e1a65315b5c8e11a7fb607261f069d72eab30a2726897c99","target":"record","created_at":"2026-07-05T02:30:38Z","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":"ceee8029b6eb4fdbc3f3a532236645cc6b1d9d2fcc7bc7853a0466483409824c","cross_cats_sorted":[],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cs.LG","submitted_at":"2021-04-09T13:13:06Z","title_canon_sha256":"34601564be7671f59e83552226425872851ffebfbf9f1712a558c93859cc78f5"},"schema_version":"1.0","source":{"id":"2104.04345","kind":"arxiv","version":1}},"canonical_sha256":"0838353a5809ba292e474a74e4632bcb828357eda76487edff41a8f46b19eedd","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"0838353a5809ba292e474a74e4632bcb828357eda76487edff41a8f46b19eedd","first_computed_at":"2026-07-05T02:30:38.227683Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T02:30:38.227683Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"u+em4T9PLoDyn3Mq8fDvjVsyK02EcndoG3GqcHSjst7UGqIgPrYJWUat0rGrPBWR0BPbunfk3tH8+okDAGsmAQ==","signature_status":"signed_v1","signed_at":"2026-07-05T02:30:38.228097Z","signed_message":"canonical_sha256_bytes"},"source_id":"2104.04345","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:35c5c730c78cd3e2e1a65315b5c8e11a7fb607261f069d72eab30a2726897c99","sha256:4b2ddea437cf0a82bd4f28504240528969697150d7b13df7866275d4c5ba76aa"],"state_sha256":"c0d83db1ce514c7bdfbe829c33eb64fddc5026f538a0bec0ba647fbb8460fce3"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"EUlQGNL+TmFCGRXyfIDoePLC8emuH8QS6IM2BrwZ12N0MlOTJ266eCQes7kr19NJEhVg2qu6lNgWz5itqJ6bDw==","signed_message":"bundle_sha256_bytes","signed_at":"2026-08-16T23:59:15.143878Z","bundle_sha256":"692cbb9864d55b2b903766e32d39f60060d9c1566a74a3388aa5af43c2336889"}}