{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2020:OSJTCOWACY7B5ELXPXCHDG4SM5","short_pith_number":"pith:OSJTCOWA","canonical_record":{"source":{"id":"2009.12710","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cs.LG","submitted_at":"2020-09-26T23:29:41Z","cross_cats_sorted":["physics.comp-ph","stat.ML"],"title_canon_sha256":"76f28120226422199d21122b44ef8aaecffd80831660e7a88961cd3eb9d3177e","abstract_canon_sha256":"36c54a8d2a1b3128b10f80608d06a78491bc65d8d71ef0ac11f3a606dd455953"},"schema_version":"1.0"},"canonical_sha256":"7493313ac0163e1e91777dc4719b9267443d4f3cd38487684280b9c01a094acc","source":{"kind":"arxiv","id":"2009.12710","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2009.12710","created_at":"2026-07-05T01:38:22Z"},{"alias_kind":"arxiv_version","alias_value":"2009.12710v1","created_at":"2026-07-05T01:38:22Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2009.12710","created_at":"2026-07-05T01:38:22Z"},{"alias_kind":"pith_short_12","alias_value":"OSJTCOWACY7B","created_at":"2026-07-05T01:38:22Z"},{"alias_kind":"pith_short_16","alias_value":"OSJTCOWACY7B5ELX","created_at":"2026-07-05T01:38:22Z"},{"alias_kind":"pith_short_8","alias_value":"OSJTCOWA","created_at":"2026-07-05T01:38:22Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2020:OSJTCOWACY7B5ELXPXCHDG4SM5","target":"record","payload":{"canonical_record":{"source":{"id":"2009.12710","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cs.LG","submitted_at":"2020-09-26T23:29:41Z","cross_cats_sorted":["physics.comp-ph","stat.ML"],"title_canon_sha256":"76f28120226422199d21122b44ef8aaecffd80831660e7a88961cd3eb9d3177e","abstract_canon_sha256":"36c54a8d2a1b3128b10f80608d06a78491bc65d8d71ef0ac11f3a606dd455953"},"schema_version":"1.0"},"canonical_sha256":"7493313ac0163e1e91777dc4719b9267443d4f3cd38487684280b9c01a094acc","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T01:38:22.639333Z","signature_b64":"k28fPoRS3M2F8UEo+6OK88A3DHcdRlGDAlRzIr+XrFQtwH0MT53tHZSAjs3b/DGIFC/yas3l35iecwfNfsEzBA==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"7493313ac0163e1e91777dc4719b9267443d4f3cd38487684280b9c01a094acc","last_reissued_at":"2026-07-05T01:38:22.638932Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T01:38:22.638932Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2009.12710","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":"2026-07-05T01:38:22Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"NxZ4/3YuIKva2haDPdN3N0QE2uy55vUQKzbNUT70lTihYMOBuDqffo4ry3cLe2YIvRgUqxMCM4IfxJjU49PpAw==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-07-18T06:11:52.762477Z"},"content_sha256":"2697d85d5c4ea9adfedd7c54469ec1e31f74c2f0955d806b947f50cb2bca57d3","schema_version":"1.0","event_id":"sha256:2697d85d5c4ea9adfedd7c54469ec1e31f74c2f0955d806b947f50cb2bca57d3"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2020:OSJTCOWACY7B5ELXPXCHDG4SM5","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Heterogeneous Molecular Graph Neural Networks for Predicting Molecule Properties","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["physics.comp-ph","stat.ML"],"primary_cat":"cs.LG","authors_text":"George Karypis, Zeren Shui","submitted_at":"2020-09-26T23:29:41Z","abstract_excerpt":"As they carry great potential for modeling complex interactions, graph neural network (GNN)-based methods have been widely used to predict quantum mechanical properties of molecules. Most of the existing methods treat molecules as molecular graphs in which atoms are modeled as nodes. They characterize each atom's chemical environment by modeling its pairwise interactions with other atoms in the molecule. Although these methods achieve a great success, limited amount of works explicitly take many-body interactions, i.e., interactions between three and more atoms, into consideration. In this pap"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2009.12710","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/2009.12710/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":"2026-07-05T01:38:22Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"nD5YwNcBaiRbcEZg6sTSJW2+IBPnnBBR4yHHfRh10ebQs+mMSZYfsmwETyCHkDJK+qaOMGDiwD63O2VZXncqBQ==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-07-18T06:11:52.762834Z"},"content_sha256":"db08afc10a0d7f05479228ed7f00cd74ce426d82b704f66a7056eda9767f24ee","schema_version":"1.0","event_id":"sha256:db08afc10a0d7f05479228ed7f00cd74ce426d82b704f66a7056eda9767f24ee"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/OSJTCOWACY7B5ELXPXCHDG4SM5/bundle.json","state_url":"https://pith.science/pith/OSJTCOWACY7B5ELXPXCHDG4SM5/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/OSJTCOWACY7B5ELXPXCHDG4SM5/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":"2026-07-18T06:11:52Z","links":{"resolver":"https://pith.science/pith/OSJTCOWACY7B5ELXPXCHDG4SM5","bundle":"https://pith.science/pith/OSJTCOWACY7B5ELXPXCHDG4SM5/bundle.json","state":"https://pith.science/pith/OSJTCOWACY7B5ELXPXCHDG4SM5/state.json","well_known_bundle":"https://pith.science/.well-known/pith/OSJTCOWACY7B5ELXPXCHDG4SM5/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2020:OSJTCOWACY7B5ELXPXCHDG4SM5","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":"36c54a8d2a1b3128b10f80608d06a78491bc65d8d71ef0ac11f3a606dd455953","cross_cats_sorted":["physics.comp-ph","stat.ML"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cs.LG","submitted_at":"2020-09-26T23:29:41Z","title_canon_sha256":"76f28120226422199d21122b44ef8aaecffd80831660e7a88961cd3eb9d3177e"},"schema_version":"1.0","source":{"id":"2009.12710","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2009.12710","created_at":"2026-07-05T01:38:22Z"},{"alias_kind":"arxiv_version","alias_value":"2009.12710v1","created_at":"2026-07-05T01:38:22Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2009.12710","created_at":"2026-07-05T01:38:22Z"},{"alias_kind":"pith_short_12","alias_value":"OSJTCOWACY7B","created_at":"2026-07-05T01:38:22Z"},{"alias_kind":"pith_short_16","alias_value":"OSJTCOWACY7B5ELX","created_at":"2026-07-05T01:38:22Z"},{"alias_kind":"pith_short_8","alias_value":"OSJTCOWA","created_at":"2026-07-05T01:38:22Z"}],"graph_snapshots":[{"event_id":"sha256:db08afc10a0d7f05479228ed7f00cd74ce426d82b704f66a7056eda9767f24ee","target":"graph","created_at":"2026-07-05T01:38:22Z","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/2009.12710/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"As they carry great potential for modeling complex interactions, graph neural network (GNN)-based methods have been widely used to predict quantum mechanical properties of molecules. Most of the existing methods treat molecules as molecular graphs in which atoms are modeled as nodes. They characterize each atom's chemical environment by modeling its pairwise interactions with other atoms in the molecule. Although these methods achieve a great success, limited amount of works explicitly take many-body interactions, i.e., interactions between three and more atoms, into consideration. In this pap","authors_text":"George Karypis, Zeren Shui","cross_cats":["physics.comp-ph","stat.ML"],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cs.LG","submitted_at":"2020-09-26T23:29:41Z","title":"Heterogeneous Molecular Graph Neural Networks for Predicting Molecule Properties"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2009.12710","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":"sha256:2697d85d5c4ea9adfedd7c54469ec1e31f74c2f0955d806b947f50cb2bca57d3","target":"record","created_at":"2026-07-05T01:38:22Z","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":"36c54a8d2a1b3128b10f80608d06a78491bc65d8d71ef0ac11f3a606dd455953","cross_cats_sorted":["physics.comp-ph","stat.ML"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cs.LG","submitted_at":"2020-09-26T23:29:41Z","title_canon_sha256":"76f28120226422199d21122b44ef8aaecffd80831660e7a88961cd3eb9d3177e"},"schema_version":"1.0","source":{"id":"2009.12710","kind":"arxiv","version":1}},"canonical_sha256":"7493313ac0163e1e91777dc4719b9267443d4f3cd38487684280b9c01a094acc","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"7493313ac0163e1e91777dc4719b9267443d4f3cd38487684280b9c01a094acc","first_computed_at":"2026-07-05T01:38:22.638932Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T01:38:22.638932Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"k28fPoRS3M2F8UEo+6OK88A3DHcdRlGDAlRzIr+XrFQtwH0MT53tHZSAjs3b/DGIFC/yas3l35iecwfNfsEzBA==","signature_status":"signed_v1","signed_at":"2026-07-05T01:38:22.639333Z","signed_message":"canonical_sha256_bytes"},"source_id":"2009.12710","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:2697d85d5c4ea9adfedd7c54469ec1e31f74c2f0955d806b947f50cb2bca57d3","sha256:db08afc10a0d7f05479228ed7f00cd74ce426d82b704f66a7056eda9767f24ee"],"state_sha256":"cfe802fbd22d614c54f9872211a36c39138b8b246eb7c814e819cedd4042c96d"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"5hkxcbpE6mdESea1pkXKcblbWhFRIPmc/817XblXe42UHJLm4hDdIRSMc5hffbZqsTOfu05ETGfGSKdEugy9CQ==","signed_message":"bundle_sha256_bytes","signed_at":"2026-07-18T06:11:52.764927Z","bundle_sha256":"69a40eaf842536592574a93d3efab8dc6941f6755c87c055abd8eb7d333929e5"}}