{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2023:PACT3BA7AJVCNLLBL5PGYB7ZO3","short_pith_number":"pith:PACT3BA7","canonical_record":{"source":{"id":"2305.01912","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cs.LG","submitted_at":"2023-05-03T06:01:03Z","cross_cats_sorted":["cs.AI","physics.chem-ph"],"title_canon_sha256":"3112a322c5768139e6dba6cc80e037c7ca86c22519d84fc98926969d9386449d","abstract_canon_sha256":"ec09dcbc28133fe73f84e0db28ca18d5d9559c903730179d6a715dd956b3cb9b"},"schema_version":"1.0"},"canonical_sha256":"78053d841f026a26ad615f5e6c07f976f09eea8151ba1adab619de72f591e3e8","source":{"kind":"arxiv","id":"2305.01912","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2305.01912","created_at":"2026-07-05T06:06:45Z"},{"alias_kind":"arxiv_version","alias_value":"2305.01912v1","created_at":"2026-07-05T06:06:45Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2305.01912","created_at":"2026-07-05T06:06:45Z"},{"alias_kind":"pith_short_12","alias_value":"PACT3BA7AJVC","created_at":"2026-07-05T06:06:45Z"},{"alias_kind":"pith_short_16","alias_value":"PACT3BA7AJVCNLLB","created_at":"2026-07-05T06:06:45Z"},{"alias_kind":"pith_short_8","alias_value":"PACT3BA7","created_at":"2026-07-05T06:06:45Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2023:PACT3BA7AJVCNLLBL5PGYB7ZO3","target":"record","payload":{"canonical_record":{"source":{"id":"2305.01912","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cs.LG","submitted_at":"2023-05-03T06:01:03Z","cross_cats_sorted":["cs.AI","physics.chem-ph"],"title_canon_sha256":"3112a322c5768139e6dba6cc80e037c7ca86c22519d84fc98926969d9386449d","abstract_canon_sha256":"ec09dcbc28133fe73f84e0db28ca18d5d9559c903730179d6a715dd956b3cb9b"},"schema_version":"1.0"},"canonical_sha256":"78053d841f026a26ad615f5e6c07f976f09eea8151ba1adab619de72f591e3e8","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T06:06:45.463290Z","signature_b64":"L8HtoNAoZKn7/ygpqt1n/X/tC6ETXKAxr/rzigHf+JPDd1Yaagam5LT4evMvekzIJClYsyNlduO4uv5UX2YTCA==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"78053d841f026a26ad615f5e6c07f976f09eea8151ba1adab619de72f591e3e8","last_reissued_at":"2026-07-05T06:06:45.462949Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T06:06:45.462949Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2305.01912","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":"2026-07-05T06:06:45Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"cJi+9HUJoIEWYVuDkWVJ05pX+KtyJYqUgGSu/asErnzPtTaICnm+6htTl1S4tw88DKtoHE3k8ER/e0OZeTwwBA==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-07-11T20:05:31.538775Z"},"content_sha256":"b4dbffbb22c20e675a2362e415d95d05028cd638c53f107ba63604b120aac976","schema_version":"1.0","event_id":"sha256:b4dbffbb22c20e675a2362e415d95d05028cd638c53f107ba63604b120aac976"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2023:PACT3BA7AJVCNLLBL5PGYB7ZO3","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"MolKD: Distilling Cross-Modal Knowledge in Chemical Reactions for Molecular Property Prediction","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cs.AI","physics.chem-ph"],"primary_cat":"cs.LG","authors_text":"Jian Li, Lanqing Li, Liang Zeng","submitted_at":"2023-05-03T06:01:03Z","abstract_excerpt":"How to effectively represent molecules is a long-standing challenge for molecular property prediction and drug discovery. This paper studies this problem and proposes to incorporate chemical domain knowledge, specifically related to chemical reactions, for learning effective molecular representations. However, the inherent cross-modality property between chemical reactions and molecules presents a significant challenge to address. To this end, we introduce a novel method, namely MolKD, which Distills cross-modal Knowledge in chemical reactions to assist Molecular property prediction. Specifica"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2305.01912","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/2305.01912/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":"2026-07-05T06:06:45Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"fLInMd4VDyimvuiv7Yi0NKokrp7Q2C6SO6SjWt2rbRZaEGgvkkG578AoK8rJJYSRUEpdXGGEl30w/T8QtOo6CQ==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-07-11T20:05:31.539147Z"},"content_sha256":"76eeca4987fe60368084e4ef2f0fc3d39c556003863411a4986bfa117220b13c","schema_version":"1.0","event_id":"sha256:76eeca4987fe60368084e4ef2f0fc3d39c556003863411a4986bfa117220b13c"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/PACT3BA7AJVCNLLBL5PGYB7ZO3/bundle.json","state_url":"https://pith.science/pith/PACT3BA7AJVCNLLBL5PGYB7ZO3/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/PACT3BA7AJVCNLLBL5PGYB7ZO3/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":"2026-07-11T20:05:31Z","links":{"resolver":"https://pith.science/pith/PACT3BA7AJVCNLLBL5PGYB7ZO3","bundle":"https://pith.science/pith/PACT3BA7AJVCNLLBL5PGYB7ZO3/bundle.json","state":"https://pith.science/pith/PACT3BA7AJVCNLLBL5PGYB7ZO3/state.json","well_known_bundle":"https://pith.science/.well-known/pith/PACT3BA7AJVCNLLBL5PGYB7ZO3/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2023:PACT3BA7AJVCNLLBL5PGYB7ZO3","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":"ec09dcbc28133fe73f84e0db28ca18d5d9559c903730179d6a715dd956b3cb9b","cross_cats_sorted":["cs.AI","physics.chem-ph"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cs.LG","submitted_at":"2023-05-03T06:01:03Z","title_canon_sha256":"3112a322c5768139e6dba6cc80e037c7ca86c22519d84fc98926969d9386449d"},"schema_version":"1.0","source":{"id":"2305.01912","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2305.01912","created_at":"2026-07-05T06:06:45Z"},{"alias_kind":"arxiv_version","alias_value":"2305.01912v1","created_at":"2026-07-05T06:06:45Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2305.01912","created_at":"2026-07-05T06:06:45Z"},{"alias_kind":"pith_short_12","alias_value":"PACT3BA7AJVC","created_at":"2026-07-05T06:06:45Z"},{"alias_kind":"pith_short_16","alias_value":"PACT3BA7AJVCNLLB","created_at":"2026-07-05T06:06:45Z"},{"alias_kind":"pith_short_8","alias_value":"PACT3BA7","created_at":"2026-07-05T06:06:45Z"}],"graph_snapshots":[{"event_id":"sha256:76eeca4987fe60368084e4ef2f0fc3d39c556003863411a4986bfa117220b13c","target":"graph","created_at":"2026-07-05T06:06:45Z","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/2305.01912/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"How to effectively represent molecules is a long-standing challenge for molecular property prediction and drug discovery. This paper studies this problem and proposes to incorporate chemical domain knowledge, specifically related to chemical reactions, for learning effective molecular representations. However, the inherent cross-modality property between chemical reactions and molecules presents a significant challenge to address. To this end, we introduce a novel method, namely MolKD, which Distills cross-modal Knowledge in chemical reactions to assist Molecular property prediction. Specifica","authors_text":"Jian Li, Lanqing Li, Liang Zeng","cross_cats":["cs.AI","physics.chem-ph"],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cs.LG","submitted_at":"2023-05-03T06:01:03Z","title":"MolKD: Distilling Cross-Modal Knowledge in Chemical Reactions for Molecular Property Prediction"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2305.01912","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:b4dbffbb22c20e675a2362e415d95d05028cd638c53f107ba63604b120aac976","target":"record","created_at":"2026-07-05T06:06:45Z","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":"ec09dcbc28133fe73f84e0db28ca18d5d9559c903730179d6a715dd956b3cb9b","cross_cats_sorted":["cs.AI","physics.chem-ph"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cs.LG","submitted_at":"2023-05-03T06:01:03Z","title_canon_sha256":"3112a322c5768139e6dba6cc80e037c7ca86c22519d84fc98926969d9386449d"},"schema_version":"1.0","source":{"id":"2305.01912","kind":"arxiv","version":1}},"canonical_sha256":"78053d841f026a26ad615f5e6c07f976f09eea8151ba1adab619de72f591e3e8","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"78053d841f026a26ad615f5e6c07f976f09eea8151ba1adab619de72f591e3e8","first_computed_at":"2026-07-05T06:06:45.462949Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T06:06:45.462949Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"L8HtoNAoZKn7/ygpqt1n/X/tC6ETXKAxr/rzigHf+JPDd1Yaagam5LT4evMvekzIJClYsyNlduO4uv5UX2YTCA==","signature_status":"signed_v1","signed_at":"2026-07-05T06:06:45.463290Z","signed_message":"canonical_sha256_bytes"},"source_id":"2305.01912","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:b4dbffbb22c20e675a2362e415d95d05028cd638c53f107ba63604b120aac976","sha256:76eeca4987fe60368084e4ef2f0fc3d39c556003863411a4986bfa117220b13c"],"state_sha256":"02bde92117693f0933b027b155a9058ce38cb2d7d031c293b6930c31733772df"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"wfbP9a35qMUDBU5rZHEyo75EvEoof0iesWOjtHdd0OoYdBjVbRVIMHNcejfWwQRQtQ2f0sX5s12dpAKU5wflBw==","signed_message":"bundle_sha256_bytes","signed_at":"2026-07-11T20:05:31.541592Z","bundle_sha256":"949544b97deb639ef1c8881c0d66ddf592c7aa8b047b89fe5a44fd70af4d7e48"}}