{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2024:2HRFIOXWN4YOEBAUGHMYSBKD2S","short_pith_number":"pith:2HRFIOXW","canonical_record":{"source":{"id":"2403.08147","kind":"arxiv","version":3},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cs.LG","submitted_at":"2024-03-13T00:19:06Z","cross_cats_sorted":["q-bio.BM"],"title_canon_sha256":"cceaf9f8a8353605b7b1d50e80dd19e5b9b1d84e79ebf22baa0e454bddb4483b","abstract_canon_sha256":"1a89e23144a6aaf6e2f3033872e446eb854c448504e5dd22bb4d67fe37074eca"},"schema_version":"1.0"},"canonical_sha256":"d1e2543af66f30e2041431d9890543d4bbba492733be11631a6f65b292d227e0","source":{"kind":"arxiv","id":"2403.08147","version":3},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2403.08147","created_at":"2026-07-05T08:46:22Z"},{"alias_kind":"arxiv_version","alias_value":"2403.08147v3","created_at":"2026-07-05T08:46:22Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2403.08147","created_at":"2026-07-05T08:46:22Z"},{"alias_kind":"pith_short_12","alias_value":"2HRFIOXWN4YO","created_at":"2026-07-05T08:46:22Z"},{"alias_kind":"pith_short_16","alias_value":"2HRFIOXWN4YOEBAU","created_at":"2026-07-05T08:46:22Z"},{"alias_kind":"pith_short_8","alias_value":"2HRFIOXW","created_at":"2026-07-05T08:46:22Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2024:2HRFIOXWN4YOEBAUGHMYSBKD2S","target":"record","payload":{"canonical_record":{"source":{"id":"2403.08147","kind":"arxiv","version":3},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cs.LG","submitted_at":"2024-03-13T00:19:06Z","cross_cats_sorted":["q-bio.BM"],"title_canon_sha256":"cceaf9f8a8353605b7b1d50e80dd19e5b9b1d84e79ebf22baa0e454bddb4483b","abstract_canon_sha256":"1a89e23144a6aaf6e2f3033872e446eb854c448504e5dd22bb4d67fe37074eca"},"schema_version":"1.0"},"canonical_sha256":"d1e2543af66f30e2041431d9890543d4bbba492733be11631a6f65b292d227e0","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T08:46:22.758380Z","signature_b64":"aIrPzLCEGHxXlIefUhePRu4MiihswgvI6p2oMp0yGlfSgob/FC1Am8og2Kxk8jLPDA/MFv+DRgXzzbHS/aadCA==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"d1e2543af66f30e2041431d9890543d4bbba492733be11631a6f65b292d227e0","last_reissued_at":"2026-07-05T08:46:22.757855Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T08:46:22.757855Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2403.08147","source_version":3,"attestation_state":"computed"},"signer":{"signer_id":"pith.science","signer_type":"pith_registry","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"created_at":"2026-07-05T08:46:22Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"Mg84tbiIkP8oMPD3QxEIbpvahW5izriz4lloi695FAOgeMdODJsv9ZZroihShdnOh+kw23XGkqogXf5cdYXGCA==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-07-09T10:40:27.201265Z"},"content_sha256":"7a118cbe1ad68e227c8fa9a435ad50ff1bf11ee5f10c4c9aa91780bda94ecb1c","schema_version":"1.0","event_id":"sha256:7a118cbe1ad68e227c8fa9a435ad50ff1bf11ee5f10c4c9aa91780bda94ecb1c"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2024:2HRFIOXWN4YOEBAUGHMYSBKD2S","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Representing Molecules as Random Walks Over Interpretable Grammars","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":["q-bio.BM"],"primary_cat":"cs.LG","authors_text":"Aristotle Franklin Grosz, Benjamin J Pedretti, Crystal Elaine Owens, Hassan Mohiuddin, Jie Chen, Katelyn Zhou, Michael Sun, Minghao Guo, Sharvaa Selvan, Veronika Thost, Weize Yuan, Wojciech Matusik, Zachary P Smith","submitted_at":"2024-03-13T00:19:06Z","abstract_excerpt":"Recent research in molecular discovery has primarily been devoted to small, drug-like molecules, leaving many similarly important applications in material design without adequate technology. These applications often rely on more complex molecular structures with fewer examples that are carefully designed using known substructures. We propose a data-efficient and interpretable model for representing and reasoning over such molecules in terms of graph grammars that explicitly describe the hierarchical design space featuring motifs to be the design basis. We present a novel representation in the "},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2403.08147","kind":"arxiv","version":3},"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/2403.08147/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":"2026-07-05T08:46:22Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"GUONrvEzWYXcSbxQZCEwPNgDpFZMGT1J2TTxBo7S6KQQJ+AT4SptJL0neLWVfBOhLc3UNsKjE43+4oubvLknBw==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-07-09T10:40:27.201673Z"},"content_sha256":"9bbedba1ff1766dc9b38f9b18fbf0a9e38a813c4ddc6f2908448541b6adfe65c","schema_version":"1.0","event_id":"sha256:9bbedba1ff1766dc9b38f9b18fbf0a9e38a813c4ddc6f2908448541b6adfe65c"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/2HRFIOXWN4YOEBAUGHMYSBKD2S/bundle.json","state_url":"https://pith.science/pith/2HRFIOXWN4YOEBAUGHMYSBKD2S/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/2HRFIOXWN4YOEBAUGHMYSBKD2S/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":"2026-07-09T10:40:27Z","links":{"resolver":"https://pith.science/pith/2HRFIOXWN4YOEBAUGHMYSBKD2S","bundle":"https://pith.science/pith/2HRFIOXWN4YOEBAUGHMYSBKD2S/bundle.json","state":"https://pith.science/pith/2HRFIOXWN4YOEBAUGHMYSBKD2S/state.json","well_known_bundle":"https://pith.science/.well-known/pith/2HRFIOXWN4YOEBAUGHMYSBKD2S/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2024:2HRFIOXWN4YOEBAUGHMYSBKD2S","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":"1a89e23144a6aaf6e2f3033872e446eb854c448504e5dd22bb4d67fe37074eca","cross_cats_sorted":["q-bio.BM"],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cs.LG","submitted_at":"2024-03-13T00:19:06Z","title_canon_sha256":"cceaf9f8a8353605b7b1d50e80dd19e5b9b1d84e79ebf22baa0e454bddb4483b"},"schema_version":"1.0","source":{"id":"2403.08147","kind":"arxiv","version":3}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2403.08147","created_at":"2026-07-05T08:46:22Z"},{"alias_kind":"arxiv_version","alias_value":"2403.08147v3","created_at":"2026-07-05T08:46:22Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2403.08147","created_at":"2026-07-05T08:46:22Z"},{"alias_kind":"pith_short_12","alias_value":"2HRFIOXWN4YO","created_at":"2026-07-05T08:46:22Z"},{"alias_kind":"pith_short_16","alias_value":"2HRFIOXWN4YOEBAU","created_at":"2026-07-05T08:46:22Z"},{"alias_kind":"pith_short_8","alias_value":"2HRFIOXW","created_at":"2026-07-05T08:46:22Z"}],"graph_snapshots":[{"event_id":"sha256:9bbedba1ff1766dc9b38f9b18fbf0a9e38a813c4ddc6f2908448541b6adfe65c","target":"graph","created_at":"2026-07-05T08:46:22Z","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/2403.08147/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"Recent research in molecular discovery has primarily been devoted to small, drug-like molecules, leaving many similarly important applications in material design without adequate technology. These applications often rely on more complex molecular structures with fewer examples that are carefully designed using known substructures. We propose a data-efficient and interpretable model for representing and reasoning over such molecules in terms of graph grammars that explicitly describe the hierarchical design space featuring motifs to be the design basis. We present a novel representation in the ","authors_text":"Aristotle Franklin Grosz, Benjamin J Pedretti, Crystal Elaine Owens, Hassan Mohiuddin, Jie Chen, Katelyn Zhou, Michael Sun, Minghao Guo, Sharvaa Selvan, Veronika Thost, Weize Yuan, Wojciech Matusik, Zachary P Smith","cross_cats":["q-bio.BM"],"headline":"","license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cs.LG","submitted_at":"2024-03-13T00:19:06Z","title":"Representing Molecules as Random Walks Over Interpretable Grammars"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2403.08147","kind":"arxiv","version":3},"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":"sha256:7a118cbe1ad68e227c8fa9a435ad50ff1bf11ee5f10c4c9aa91780bda94ecb1c","target":"record","created_at":"2026-07-05T08:46:22Z","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":"1a89e23144a6aaf6e2f3033872e446eb854c448504e5dd22bb4d67fe37074eca","cross_cats_sorted":["q-bio.BM"],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cs.LG","submitted_at":"2024-03-13T00:19:06Z","title_canon_sha256":"cceaf9f8a8353605b7b1d50e80dd19e5b9b1d84e79ebf22baa0e454bddb4483b"},"schema_version":"1.0","source":{"id":"2403.08147","kind":"arxiv","version":3}},"canonical_sha256":"d1e2543af66f30e2041431d9890543d4bbba492733be11631a6f65b292d227e0","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"d1e2543af66f30e2041431d9890543d4bbba492733be11631a6f65b292d227e0","first_computed_at":"2026-07-05T08:46:22.757855Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T08:46:22.757855Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"aIrPzLCEGHxXlIefUhePRu4MiihswgvI6p2oMp0yGlfSgob/FC1Am8og2Kxk8jLPDA/MFv+DRgXzzbHS/aadCA==","signature_status":"signed_v1","signed_at":"2026-07-05T08:46:22.758380Z","signed_message":"canonical_sha256_bytes"},"source_id":"2403.08147","source_kind":"arxiv","source_version":3}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:7a118cbe1ad68e227c8fa9a435ad50ff1bf11ee5f10c4c9aa91780bda94ecb1c","sha256:9bbedba1ff1766dc9b38f9b18fbf0a9e38a813c4ddc6f2908448541b6adfe65c"],"state_sha256":"7b5619146f63d4834aebb81ecde22ccd4794ac5194af77985c3d6f7ebfb9bf54"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"TOLY5hZ26RnGAFwOxyhXJacCrjVh1oqS/SjWjBDIAUWiJblEZxf4gPu5zKxeC1i7U8hZmZK60I0lC7dHRmcKCg==","signed_message":"bundle_sha256_bytes","signed_at":"2026-07-09T10:40:27.203611Z","bundle_sha256":"a3e1921bc8c5b8def026aefea0063ebe0b8b2c4f985bf92464c5f4a50952c1c0"}}