{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2023:PIIX4AKB2CDJV6ZZZVRI7CW4MM","short_pith_number":"pith:PIIX4AKB","canonical_record":{"source":{"id":"2308.16212","kind":"arxiv","version":2},"metadata":{"license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","primary_cat":"q-bio.QM","submitted_at":"2023-08-30T15:09:22Z","cross_cats_sorted":["cs.LG","q-bio.BM"],"title_canon_sha256":"e2d502e096094ea53549734407f385d45e0e9d2ac3f3c088d90c7a7929ca540e","abstract_canon_sha256":"e4234f55a024d4979e1251840a37bac258f79bc9940e22d82bf0fad29b38283f"},"schema_version":"1.0"},"canonical_sha256":"7a117e0141d0869afb39cd628f8adc6314aaa6619303091c48320941a727d997","source":{"kind":"arxiv","id":"2308.16212","version":2},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2308.16212","created_at":"2026-07-05T08:00:35Z"},{"alias_kind":"arxiv_version","alias_value":"2308.16212v2","created_at":"2026-07-05T08:00:35Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2308.16212","created_at":"2026-07-05T08:00:35Z"},{"alias_kind":"pith_short_12","alias_value":"PIIX4AKB2CDJ","created_at":"2026-07-05T08:00:35Z"},{"alias_kind":"pith_short_16","alias_value":"PIIX4AKB2CDJV6ZZ","created_at":"2026-07-05T08:00:35Z"},{"alias_kind":"pith_short_8","alias_value":"PIIX4AKB","created_at":"2026-07-05T08:00:35Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2023:PIIX4AKB2CDJV6ZZZVRI7CW4MM","target":"record","payload":{"canonical_record":{"source":{"id":"2308.16212","kind":"arxiv","version":2},"metadata":{"license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","primary_cat":"q-bio.QM","submitted_at":"2023-08-30T15:09:22Z","cross_cats_sorted":["cs.LG","q-bio.BM"],"title_canon_sha256":"e2d502e096094ea53549734407f385d45e0e9d2ac3f3c088d90c7a7929ca540e","abstract_canon_sha256":"e4234f55a024d4979e1251840a37bac258f79bc9940e22d82bf0fad29b38283f"},"schema_version":"1.0"},"canonical_sha256":"7a117e0141d0869afb39cd628f8adc6314aaa6619303091c48320941a727d997","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T08:00:35.434355Z","signature_b64":"i7+f2sjzLo34F/cf5Hhf6I8ZA9zlkCgQQvEJ5G0PomuGAuI1uYaT8jbYHqF4Rb8BhE3DLXH2TFFXZVUbTuFSAw==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"7a117e0141d0869afb39cd628f8adc6314aaa6619303091c48320941a727d997","last_reissued_at":"2026-07-05T08:00:35.433776Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T08:00:35.433776Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2308.16212","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":"2026-07-05T08:00:35Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"1R7EK2fz/l3j65XAgvqmgSLt8dfub8UGVr+W3EIVXHqCmAqW4Z0471hf+dZhZBeKYXcxgngsYOH8xn6FznyJCQ==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-07-16T15:41:32.986603Z"},"content_sha256":"0f94a235f6902cdee18c491a4fabe28f4b7733a6ff5e1b04e2da3339a65921e6","schema_version":"1.0","event_id":"sha256:0f94a235f6902cdee18c491a4fabe28f4b7733a6ff5e1b04e2da3339a65921e6"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2023:PIIX4AKB2CDJV6ZZZVRI7CW4MM","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"RetroBridge: Modeling Retrosynthesis with Markov Bridges","license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","headline":"","cross_cats":["cs.LG","q-bio.BM"],"primary_cat":"q-bio.QM","authors_text":"Arne Schneuing, Bruno Correia, Ilia Igashov, Marwin Segler, Michael Bronstein","submitted_at":"2023-08-30T15:09:22Z","abstract_excerpt":"Retrosynthesis planning is a fundamental challenge in chemistry which aims at designing reaction pathways from commercially available starting materials to a target molecule. Each step in multi-step retrosynthesis planning requires accurate prediction of possible precursor molecules given the target molecule and confidence estimates to guide heuristic search algorithms. We model single-step retrosynthesis planning as a distribution learning problem in a discrete state space. First, we introduce the Markov Bridge Model, a generative framework aimed to approximate the dependency between two intr"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2308.16212","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/2308.16212/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":"2026-07-05T08:00:35Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"HVcNNzIFwotBXln4bpaFhMBcWjQuJcyhIQxfdlp5Ml708S5q9ufZQdXaUbv5hNFEmmNEbCZDaXiWvvwIHc+aDA==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-07-16T15:41:32.986980Z"},"content_sha256":"62cd7cdb2be2fdc5e59eb43360b65b50b9a803d2b37404e78ebb89f2cb6e0b5b","schema_version":"1.0","event_id":"sha256:62cd7cdb2be2fdc5e59eb43360b65b50b9a803d2b37404e78ebb89f2cb6e0b5b"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/PIIX4AKB2CDJV6ZZZVRI7CW4MM/bundle.json","state_url":"https://pith.science/pith/PIIX4AKB2CDJV6ZZZVRI7CW4MM/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/PIIX4AKB2CDJV6ZZZVRI7CW4MM/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":"2026-07-16T15:41:32Z","links":{"resolver":"https://pith.science/pith/PIIX4AKB2CDJV6ZZZVRI7CW4MM","bundle":"https://pith.science/pith/PIIX4AKB2CDJV6ZZZVRI7CW4MM/bundle.json","state":"https://pith.science/pith/PIIX4AKB2CDJV6ZZZVRI7CW4MM/state.json","well_known_bundle":"https://pith.science/.well-known/pith/PIIX4AKB2CDJV6ZZZVRI7CW4MM/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2023:PIIX4AKB2CDJV6ZZZVRI7CW4MM","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":"e4234f55a024d4979e1251840a37bac258f79bc9940e22d82bf0fad29b38283f","cross_cats_sorted":["cs.LG","q-bio.BM"],"license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","primary_cat":"q-bio.QM","submitted_at":"2023-08-30T15:09:22Z","title_canon_sha256":"e2d502e096094ea53549734407f385d45e0e9d2ac3f3c088d90c7a7929ca540e"},"schema_version":"1.0","source":{"id":"2308.16212","kind":"arxiv","version":2}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2308.16212","created_at":"2026-07-05T08:00:35Z"},{"alias_kind":"arxiv_version","alias_value":"2308.16212v2","created_at":"2026-07-05T08:00:35Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2308.16212","created_at":"2026-07-05T08:00:35Z"},{"alias_kind":"pith_short_12","alias_value":"PIIX4AKB2CDJ","created_at":"2026-07-05T08:00:35Z"},{"alias_kind":"pith_short_16","alias_value":"PIIX4AKB2CDJV6ZZ","created_at":"2026-07-05T08:00:35Z"},{"alias_kind":"pith_short_8","alias_value":"PIIX4AKB","created_at":"2026-07-05T08:00:35Z"}],"graph_snapshots":[{"event_id":"sha256:62cd7cdb2be2fdc5e59eb43360b65b50b9a803d2b37404e78ebb89f2cb6e0b5b","target":"graph","created_at":"2026-07-05T08:00:35Z","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/2308.16212/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"Retrosynthesis planning is a fundamental challenge in chemistry which aims at designing reaction pathways from commercially available starting materials to a target molecule. Each step in multi-step retrosynthesis planning requires accurate prediction of possible precursor molecules given the target molecule and confidence estimates to guide heuristic search algorithms. We model single-step retrosynthesis planning as a distribution learning problem in a discrete state space. First, we introduce the Markov Bridge Model, a generative framework aimed to approximate the dependency between two intr","authors_text":"Arne Schneuing, Bruno Correia, Ilia Igashov, Marwin Segler, Michael Bronstein","cross_cats":["cs.LG","q-bio.BM"],"headline":"","license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","primary_cat":"q-bio.QM","submitted_at":"2023-08-30T15:09:22Z","title":"RetroBridge: Modeling Retrosynthesis with Markov Bridges"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2308.16212","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":"sha256:0f94a235f6902cdee18c491a4fabe28f4b7733a6ff5e1b04e2da3339a65921e6","target":"record","created_at":"2026-07-05T08:00:35Z","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":"e4234f55a024d4979e1251840a37bac258f79bc9940e22d82bf0fad29b38283f","cross_cats_sorted":["cs.LG","q-bio.BM"],"license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","primary_cat":"q-bio.QM","submitted_at":"2023-08-30T15:09:22Z","title_canon_sha256":"e2d502e096094ea53549734407f385d45e0e9d2ac3f3c088d90c7a7929ca540e"},"schema_version":"1.0","source":{"id":"2308.16212","kind":"arxiv","version":2}},"canonical_sha256":"7a117e0141d0869afb39cd628f8adc6314aaa6619303091c48320941a727d997","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"7a117e0141d0869afb39cd628f8adc6314aaa6619303091c48320941a727d997","first_computed_at":"2026-07-05T08:00:35.433776Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T08:00:35.433776Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"i7+f2sjzLo34F/cf5Hhf6I8ZA9zlkCgQQvEJ5G0PomuGAuI1uYaT8jbYHqF4Rb8BhE3DLXH2TFFXZVUbTuFSAw==","signature_status":"signed_v1","signed_at":"2026-07-05T08:00:35.434355Z","signed_message":"canonical_sha256_bytes"},"source_id":"2308.16212","source_kind":"arxiv","source_version":2}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:0f94a235f6902cdee18c491a4fabe28f4b7733a6ff5e1b04e2da3339a65921e6","sha256:62cd7cdb2be2fdc5e59eb43360b65b50b9a803d2b37404e78ebb89f2cb6e0b5b"],"state_sha256":"dc1f4db4a6a0b0410ac77a1868989cb67f02d88bfd54c5fdc043d21d695e0c2a"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"RVoCMbDXg71c0mUJPTXdRpd+8N4yRG2yJbEdxdG6PPbDZ4XBbAI2tTItVNbnn9u3f+PLV4gLKOHYu/vvXXNBDQ==","signed_message":"bundle_sha256_bytes","signed_at":"2026-07-16T15:41:32.989047Z","bundle_sha256":"3d7749758c0f56a328066a94dae1bbc203cae69c14fc7cda4e8a95a260118955"}}