{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2025:7AWMWFB6ALSQUWLSMT4AVQFXIL","short_pith_number":"pith:7AWMWFB6","canonical_record":{"source":{"id":"2508.01459","kind":"arxiv","version":1},"metadata":{"license":"http://creativecommons.org/licenses/by-sa/4.0/","primary_cat":"cs.LG","submitted_at":"2025-08-02T18:30:06Z","cross_cats_sorted":["cs.AI"],"title_canon_sha256":"b8afab5c3d39c745f365167011c7fcda060755e78fd51120c6b47a64bc5249ad","abstract_canon_sha256":"53bbd4c0579665427460b19af801e2be1f4970ff9c2f36c6058507531fa6fa8d"},"schema_version":"1.0"},"canonical_sha256":"f82ccb143e02e50a597264f80ac0b742c338ebc4e2395353cf98e24dbd871f46","source":{"kind":"arxiv","id":"2508.01459","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2508.01459","created_at":"2026-07-05T11:47:39Z"},{"alias_kind":"arxiv_version","alias_value":"2508.01459v1","created_at":"2026-07-05T11:47:39Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2508.01459","created_at":"2026-07-05T11:47:39Z"},{"alias_kind":"pith_short_12","alias_value":"7AWMWFB6ALSQ","created_at":"2026-07-05T11:47:39Z"},{"alias_kind":"pith_short_16","alias_value":"7AWMWFB6ALSQUWLS","created_at":"2026-07-05T11:47:39Z"},{"alias_kind":"pith_short_8","alias_value":"7AWMWFB6","created_at":"2026-07-05T11:47:39Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2025:7AWMWFB6ALSQUWLSMT4AVQFXIL","target":"record","payload":{"canonical_record":{"source":{"id":"2508.01459","kind":"arxiv","version":1},"metadata":{"license":"http://creativecommons.org/licenses/by-sa/4.0/","primary_cat":"cs.LG","submitted_at":"2025-08-02T18:30:06Z","cross_cats_sorted":["cs.AI"],"title_canon_sha256":"b8afab5c3d39c745f365167011c7fcda060755e78fd51120c6b47a64bc5249ad","abstract_canon_sha256":"53bbd4c0579665427460b19af801e2be1f4970ff9c2f36c6058507531fa6fa8d"},"schema_version":"1.0"},"canonical_sha256":"f82ccb143e02e50a597264f80ac0b742c338ebc4e2395353cf98e24dbd871f46","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T11:47:39.346623Z","signature_b64":"5Z2VbdF+AgOA5K5v5QaMO2nZ5KWr7d5SwPsOmLvQbgg5p6uCRa5RGCsbnV9ZWwoBu9jjvGeBey5tL7QC+mMvCw==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"f82ccb143e02e50a597264f80ac0b742c338ebc4e2395353cf98e24dbd871f46","last_reissued_at":"2026-07-05T11:47:39.346050Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T11:47:39.346050Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2508.01459","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":"2026-07-05T11:47:39Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"Twifos09T/Al/c2rSPNMu7Fcc0N3RwcRBuLm2xEOI4eVJyq6DHBlBvftsmPcp5NjHxx2n5kVnDvnfoWW+bqIAA==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-11T14:20:35.967889Z"},"content_sha256":"669faa085b424ddc2b1ad75e025faded5ae80877b7e7b945986f5d9bbc3eaad4","schema_version":"1.0","event_id":"sha256:669faa085b424ddc2b1ad75e025faded5ae80877b7e7b945986f5d9bbc3eaad4"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2025:7AWMWFB6ALSQUWLSMT4AVQFXIL","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Fast and scalable retrosynthetic planning with a transformer neural network and speculative beam search","license":"http://creativecommons.org/licenses/by-sa/4.0/","headline":"","cross_cats":["cs.AI"],"primary_cat":"cs.LG","authors_text":"Djork-Arn\\'e Clevert, J\\\"urgen Schmidhuber, Michael Wand, Mikhail Andronov, Natalia Andronova","submitted_at":"2025-08-02T18:30:06Z","abstract_excerpt":"AI-based computer-aided synthesis planning (CASP) systems are in demand as components of AI-driven drug discovery workflows. However, the high latency of such CASP systems limits their utility for high-throughput synthesizability screening in de novo drug design. We propose a method for accelerating multi-step synthesis planning systems that rely on SMILES-to-SMILES transformers as single-step retrosynthesis models. Our approach reduces the latency of SMILES-to-SMILES transformers powering multi-step synthesis planning in AiZynthFinder through speculative beam search combined with a scalable d"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2508.01459","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/2508.01459/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":"2026-07-05T11:47:39Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"FdWc97ODteI2paaQe2QuTO2QyzE3YL2DdXBIlSZ/pQcofHw0Vsm6a0I/8ZEpf1fJ8rcTrREB+MBPFnW49in+CQ==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-11T14:20:35.968405Z"},"content_sha256":"dacb0889cca0bf216ad0d2bcb0dcb937265b99a9c8bc4df417d46bf9ac51a1da","schema_version":"1.0","event_id":"sha256:dacb0889cca0bf216ad0d2bcb0dcb937265b99a9c8bc4df417d46bf9ac51a1da"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/7AWMWFB6ALSQUWLSMT4AVQFXIL/bundle.json","state_url":"https://pith.science/pith/7AWMWFB6ALSQUWLSMT4AVQFXIL/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/7AWMWFB6ALSQUWLSMT4AVQFXIL/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":"2026-08-11T14:20:35Z","links":{"resolver":"https://pith.science/pith/7AWMWFB6ALSQUWLSMT4AVQFXIL","bundle":"https://pith.science/pith/7AWMWFB6ALSQUWLSMT4AVQFXIL/bundle.json","state":"https://pith.science/pith/7AWMWFB6ALSQUWLSMT4AVQFXIL/state.json","well_known_bundle":"https://pith.science/.well-known/pith/7AWMWFB6ALSQUWLSMT4AVQFXIL/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2025:7AWMWFB6ALSQUWLSMT4AVQFXIL","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":"53bbd4c0579665427460b19af801e2be1f4970ff9c2f36c6058507531fa6fa8d","cross_cats_sorted":["cs.AI"],"license":"http://creativecommons.org/licenses/by-sa/4.0/","primary_cat":"cs.LG","submitted_at":"2025-08-02T18:30:06Z","title_canon_sha256":"b8afab5c3d39c745f365167011c7fcda060755e78fd51120c6b47a64bc5249ad"},"schema_version":"1.0","source":{"id":"2508.01459","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2508.01459","created_at":"2026-07-05T11:47:39Z"},{"alias_kind":"arxiv_version","alias_value":"2508.01459v1","created_at":"2026-07-05T11:47:39Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2508.01459","created_at":"2026-07-05T11:47:39Z"},{"alias_kind":"pith_short_12","alias_value":"7AWMWFB6ALSQ","created_at":"2026-07-05T11:47:39Z"},{"alias_kind":"pith_short_16","alias_value":"7AWMWFB6ALSQUWLS","created_at":"2026-07-05T11:47:39Z"},{"alias_kind":"pith_short_8","alias_value":"7AWMWFB6","created_at":"2026-07-05T11:47:39Z"}],"graph_snapshots":[{"event_id":"sha256:dacb0889cca0bf216ad0d2bcb0dcb937265b99a9c8bc4df417d46bf9ac51a1da","target":"graph","created_at":"2026-07-05T11:47:39Z","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/2508.01459/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"AI-based computer-aided synthesis planning (CASP) systems are in demand as components of AI-driven drug discovery workflows. However, the high latency of such CASP systems limits their utility for high-throughput synthesizability screening in de novo drug design. We propose a method for accelerating multi-step synthesis planning systems that rely on SMILES-to-SMILES transformers as single-step retrosynthesis models. Our approach reduces the latency of SMILES-to-SMILES transformers powering multi-step synthesis planning in AiZynthFinder through speculative beam search combined with a scalable d","authors_text":"Djork-Arn\\'e Clevert, J\\\"urgen Schmidhuber, Michael Wand, Mikhail Andronov, Natalia Andronova","cross_cats":["cs.AI"],"headline":"","license":"http://creativecommons.org/licenses/by-sa/4.0/","primary_cat":"cs.LG","submitted_at":"2025-08-02T18:30:06Z","title":"Fast and scalable retrosynthetic planning with a transformer neural network and speculative beam search"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2508.01459","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":"sha256:669faa085b424ddc2b1ad75e025faded5ae80877b7e7b945986f5d9bbc3eaad4","target":"record","created_at":"2026-07-05T11:47:39Z","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":"53bbd4c0579665427460b19af801e2be1f4970ff9c2f36c6058507531fa6fa8d","cross_cats_sorted":["cs.AI"],"license":"http://creativecommons.org/licenses/by-sa/4.0/","primary_cat":"cs.LG","submitted_at":"2025-08-02T18:30:06Z","title_canon_sha256":"b8afab5c3d39c745f365167011c7fcda060755e78fd51120c6b47a64bc5249ad"},"schema_version":"1.0","source":{"id":"2508.01459","kind":"arxiv","version":1}},"canonical_sha256":"f82ccb143e02e50a597264f80ac0b742c338ebc4e2395353cf98e24dbd871f46","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"f82ccb143e02e50a597264f80ac0b742c338ebc4e2395353cf98e24dbd871f46","first_computed_at":"2026-07-05T11:47:39.346050Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T11:47:39.346050Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"5Z2VbdF+AgOA5K5v5QaMO2nZ5KWr7d5SwPsOmLvQbgg5p6uCRa5RGCsbnV9ZWwoBu9jjvGeBey5tL7QC+mMvCw==","signature_status":"signed_v1","signed_at":"2026-07-05T11:47:39.346623Z","signed_message":"canonical_sha256_bytes"},"source_id":"2508.01459","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:669faa085b424ddc2b1ad75e025faded5ae80877b7e7b945986f5d9bbc3eaad4","sha256:dacb0889cca0bf216ad0d2bcb0dcb937265b99a9c8bc4df417d46bf9ac51a1da"],"state_sha256":"dfdfaf269f7e892fbea2556d2909849593e64769af41fa21c8530c3111dc4391"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"cBitUUZOFjVMMejrBSh/qLd9g2G0cCc9dWiR2kYtcEOkABjduZ2Vr3uXk5lx96tnwXnva9yYbzE0YR32ZypFDA==","signed_message":"bundle_sha256_bytes","signed_at":"2026-08-11T14:20:35.973748Z","bundle_sha256":"96b432c7d99cd22f0607642693af5b678ff4ad52f56558ff1cd632a6ce677deb"}}