{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2024:5ZJFWMGOESZK7YS3NZKYVL64XD","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":"e68ba3dd0742bef96ef7cc3d0ca853051d457e695fe2458d5db92ddd57c1dd5d","cross_cats_sorted":["cs.AI"],"license":"http://creativecommons.org/licenses/by-nc-sa/4.0/","primary_cat":"q-bio.BM","submitted_at":"2024-11-20T12:48:29Z","title_canon_sha256":"e0ff16fc7fc46ed4233cd320776e4961f12b8afd54589a736834fd0fa4506d7b"},"schema_version":"1.0","source":{"id":"2411.13280","kind":"arxiv","version":4}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2411.13280","created_at":"2026-07-05T11:16:30Z"},{"alias_kind":"arxiv_version","alias_value":"2411.13280v4","created_at":"2026-07-05T11:16:30Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2411.13280","created_at":"2026-07-05T11:16:30Z"},{"alias_kind":"pith_short_12","alias_value":"5ZJFWMGOESZK","created_at":"2026-07-05T11:16:30Z"},{"alias_kind":"pith_short_16","alias_value":"5ZJFWMGOESZK7YS3","created_at":"2026-07-05T11:16:30Z"},{"alias_kind":"pith_short_8","alias_value":"5ZJFWMGO","created_at":"2026-07-05T11:16:30Z"}],"graph_snapshots":[{"event_id":"sha256:f87e86b880b34da219f4dcbd36bf53d2cc9416fb9c86e8121f1e4468af92ecb4","target":"graph","created_at":"2026-07-05T11:16:30Z","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/2411.13280/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"Structure-Based molecule optimization (SBMO) aims to optimize molecules with both continuous coordinates and discrete types against protein targets. A promising direction is to exert gradient guidance on generative models given its remarkable success in images, but it is challenging to guide discrete data and risks inconsistencies between modalities. To this end, we leverage a continuous and differentiable space derived through Bayesian inference, presenting Molecule Joint Optimization (MolJO), the gradient-based SBMO framework that facilitates joint guidance signals across different modalitie","authors_text":"Hao Zhou, Hongbo Ma, Jie Yu, Keyue Qiu, Mingyue Zheng, Wei-Ying Ma, Yushuai Wu, Yuxuan Song, Zhilong Zhang, Ziyao Cao","cross_cats":["cs.AI"],"headline":"","license":"http://creativecommons.org/licenses/by-nc-sa/4.0/","primary_cat":"q-bio.BM","submitted_at":"2024-11-20T12:48:29Z","title":"Empower Structure-Based Molecule Optimization with Gradient Guided Bayesian Flow Networks"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2411.13280","kind":"arxiv","version":4},"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":"sha256:4d6a7a85b72bc25582aa290489705b94083be44e3de9b38c7cc6396e90210a26","target":"record","created_at":"2026-07-05T11:16:30Z","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":"e68ba3dd0742bef96ef7cc3d0ca853051d457e695fe2458d5db92ddd57c1dd5d","cross_cats_sorted":["cs.AI"],"license":"http://creativecommons.org/licenses/by-nc-sa/4.0/","primary_cat":"q-bio.BM","submitted_at":"2024-11-20T12:48:29Z","title_canon_sha256":"e0ff16fc7fc46ed4233cd320776e4961f12b8afd54589a736834fd0fa4506d7b"},"schema_version":"1.0","source":{"id":"2411.13280","kind":"arxiv","version":4}},"canonical_sha256":"ee525b30ce24b2afe25b6e558aafdcb8e9e62c1d6fd929c590556323059720b5","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"ee525b30ce24b2afe25b6e558aafdcb8e9e62c1d6fd929c590556323059720b5","first_computed_at":"2026-07-05T11:16:30.630520Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T11:16:30.630520Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"SnsVIVnTmA5Kglwo/pY653xvJblOJR0iV2lxhlU2oK2ylJ4OJTouBnQUThMjY8mK48Ec/frkm3LIA8sX3iGQDQ==","signature_status":"signed_v1","signed_at":"2026-07-05T11:16:30.631098Z","signed_message":"canonical_sha256_bytes"},"source_id":"2411.13280","source_kind":"arxiv","source_version":4}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:4d6a7a85b72bc25582aa290489705b94083be44e3de9b38c7cc6396e90210a26","sha256:f87e86b880b34da219f4dcbd36bf53d2cc9416fb9c86e8121f1e4468af92ecb4"],"state_sha256":"95f92bfc4788d4a39c33d515b46b6ee58ae1c8e460a7f163081104a975bde64f"}