{"record_type":"pith_number_record","schema_url":"https://pith.science/schemas/pith-number/v1.json","pith_number":"pith:2025:ETUHDAAIVADAJFWPMQ3IKRJ2GT","short_pith_number":"pith:ETUHDAAI","schema_version":"1.0","canonical_sha256":"24e8718008a8060496cf643685453a34d6325627f9689629c73e59fedb17eb11","source":{"kind":"arxiv","id":"2505.23721","version":2},"attestation_state":"computed","paper":{"title":"DiffER: Categorical Diffusion for Chemical Retrosynthesis","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":[],"primary_cat":"cs.LG","authors_text":"Daniel Adu-Ampratwum, Sean Current, Srinivasan Parthasarathy, Xia Ning, Ziqi Chen","submitted_at":"2025-05-29T17:53:37Z","abstract_excerpt":"Methods for automatic chemical retrosynthesis have found recent success through the application of models traditionally built for natural language processing, primarily through transformer neural networks. These models have demonstrated significant ability to translate between the SMILES encodings of chemical products and reactants, but are constrained as a result of their autoregressive nature. We propose DiffER, an alternative template-free method for retrosynthesis prediction in the form of categorical diffusion, which allows the entire output SMILES sequence to be predicted in unison. We c"},"verification_status":{"content_addressed":true,"pith_receipt":true,"author_attested":false,"weak_author_claims":0,"strong_author_claims":0,"externally_anchored":false,"storage_verified":false,"citation_signatures":0,"replication_records":0,"graph_snapshot":true,"references_resolved":false,"formal_links_present":false},"canonical_record":{"source":{"id":"2505.23721","kind":"arxiv","version":2},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cs.LG","submitted_at":"2025-05-29T17:53:37Z","cross_cats_sorted":[],"title_canon_sha256":"11b25455b83820bfc1c63e19c34f56c28ad7456d58bca12de14e856127fd69fe","abstract_canon_sha256":"5a4cabc2bb9038c1b51c8a1d2232e5f0e56c09c1b2343fc884b7c98b37c1f657"},"schema_version":"1.0"},"receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T11:15:00.850174Z","signature_b64":"ISsu2Mh+RsjmeHayi80Bq9O6ULRTvrOYMXe/ILyz2xJ5c/lGTYHKUUbawCeGmooMGRv3pKIyJYuGz4gWocHlBQ==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"24e8718008a8060496cf643685453a34d6325627f9689629c73e59fedb17eb11","last_reissued_at":"2026-07-05T11:15:00.849702Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T11:15:00.849702Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"graph_snapshot":{"paper":{"title":"DiffER: Categorical Diffusion for Chemical Retrosynthesis","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":[],"primary_cat":"cs.LG","authors_text":"Daniel Adu-Ampratwum, Sean Current, Srinivasan Parthasarathy, Xia Ning, Ziqi Chen","submitted_at":"2025-05-29T17:53:37Z","abstract_excerpt":"Methods for automatic chemical retrosynthesis have found recent success through the application of models traditionally built for natural language processing, primarily through transformer neural networks. These models have demonstrated significant ability to translate between the SMILES encodings of chemical products and reactants, but are constrained as a result of their autoregressive nature. We propose DiffER, an alternative template-free method for retrosynthesis prediction in the form of categorical diffusion, which allows the entire output SMILES sequence to be predicted in unison. We c"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2505.23721","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/2505.23721/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"},"aliases":[{"alias_kind":"arxiv","alias_value":"2505.23721","created_at":"2026-07-05T11:15:00.849760+00:00"},{"alias_kind":"arxiv_version","alias_value":"2505.23721v2","created_at":"2026-07-05T11:15:00.849760+00:00"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2505.23721","created_at":"2026-07-05T11:15:00.849760+00:00"},{"alias_kind":"pith_short_12","alias_value":"ETUHDAAIVADA","created_at":"2026-07-05T11:15:00.849760+00:00"},{"alias_kind":"pith_short_16","alias_value":"ETUHDAAIVADAJFWP","created_at":"2026-07-05T11:15:00.849760+00:00"},{"alias_kind":"pith_short_8","alias_value":"ETUHDAAI","created_at":"2026-07-05T11:15:00.849760+00:00"}],"events":[],"event_summary":{},"paper_claims":[],"inbound_citations":{"count":0,"internal_anchor_count":0,"sample":[]},"formal_canon":{"evidence_count":0,"sample":[],"anchors":[]},"links":{"html":"https://pith.science/pith/ETUHDAAIVADAJFWPMQ3IKRJ2GT","json":"https://pith.science/pith/ETUHDAAIVADAJFWPMQ3IKRJ2GT.json","graph_json":"https://pith.science/api/pith-number/ETUHDAAIVADAJFWPMQ3IKRJ2GT/graph.json","events_json":"https://pith.science/api/pith-number/ETUHDAAIVADAJFWPMQ3IKRJ2GT/events.json","paper":"https://pith.science/paper/ETUHDAAI"},"agent_actions":{"view_html":"https://pith.science/pith/ETUHDAAIVADAJFWPMQ3IKRJ2GT","download_json":"https://pith.science/pith/ETUHDAAIVADAJFWPMQ3IKRJ2GT.json","view_paper":"https://pith.science/paper/ETUHDAAI","resolve_alias":"https://pith.science/api/pith-number/resolve?arxiv=2505.23721&json=true","fetch_graph":"https://pith.science/api/pith-number/ETUHDAAIVADAJFWPMQ3IKRJ2GT/graph.json","fetch_events":"https://pith.science/api/pith-number/ETUHDAAIVADAJFWPMQ3IKRJ2GT/events.json","actions":{"anchor_timestamp":"https://pith.science/pith/ETUHDAAIVADAJFWPMQ3IKRJ2GT/action/timestamp_anchor","attest_storage":"https://pith.science/pith/ETUHDAAIVADAJFWPMQ3IKRJ2GT/action/storage_attestation","attest_author":"https://pith.science/pith/ETUHDAAIVADAJFWPMQ3IKRJ2GT/action/author_attestation","sign_citation":"https://pith.science/pith/ETUHDAAIVADAJFWPMQ3IKRJ2GT/action/citation_signature","submit_replication":"https://pith.science/pith/ETUHDAAIVADAJFWPMQ3IKRJ2GT/action/replication_record"}},"created_at":"2026-07-05T11:15:00.849760+00:00","updated_at":"2026-07-05T11:15:00.849760+00:00"}