{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2018:O4B7N4NZI65LABVLLQGO225VRH","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":"67356f8880f7f3ebdd86a5b8b63edb832da1ea423d2e9458a12380d49f8a9b58","cross_cats_sorted":["stat.ML"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cs.LG","submitted_at":"2018-05-28T15:49:28Z","title_canon_sha256":"2c4e93511420f8fd6ec1817af18799938f52ea71dcf8819f8c2a2725a532bc0f"},"schema_version":"1.0","source":{"id":"1805.10988","kind":"arxiv","version":3}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1805.10988","created_at":"2026-05-18T00:03:55Z"},{"alias_kind":"arxiv_version","alias_value":"1805.10988v3","created_at":"2026-05-18T00:03:55Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1805.10988","created_at":"2026-05-18T00:03:55Z"},{"alias_kind":"pith_short_12","alias_value":"O4B7N4NZI65L","created_at":"2026-05-18T12:32:40Z"},{"alias_kind":"pith_short_16","alias_value":"O4B7N4NZI65LABVL","created_at":"2026-05-18T12:32:40Z"},{"alias_kind":"pith_short_8","alias_value":"O4B7N4NZ","created_at":"2026-05-18T12:32:40Z"}],"graph_snapshots":[{"event_id":"sha256:2baad62448322df394759b12c57b47505b9c643e5b7c20fc488a5a4495feed98","target":"graph","created_at":"2026-05-18T00:03:55Z","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"},"paper":{"abstract_excerpt":"Molecular structure-property relationships are key to molecular engineering for materials and drug discovery. The rise of deep learning offers a new viable solution to elucidate the structure-property relationships directly from chemical data. Here we show that the performance of graph convolutional networks (GCNs) for the prediction of molecular properties can be improved by incorporating attention and gate mechanisms. The attention mechanism enables a GCN to identify atoms in different environments. The gated skip-connection further improves the GCN by updating feature maps at an appropriate","authors_text":"Jaechang Lim, Seongok Ryu, Seung Hwan Hong, Woo Youn Kim","cross_cats":["stat.ML"],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cs.LG","submitted_at":"2018-05-28T15:49:28Z","title":"Deeply learning molecular structure-property relationships using attention- and gate-augmented graph convolutional network"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1805.10988","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":"sha256:1dfb2b9e3520f19b34563742298208f15ec8685b4a3c2ecc4169f440dde9d20b","target":"record","created_at":"2026-05-18T00:03:55Z","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":"67356f8880f7f3ebdd86a5b8b63edb832da1ea423d2e9458a12380d49f8a9b58","cross_cats_sorted":["stat.ML"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cs.LG","submitted_at":"2018-05-28T15:49:28Z","title_canon_sha256":"2c4e93511420f8fd6ec1817af18799938f52ea71dcf8819f8c2a2725a532bc0f"},"schema_version":"1.0","source":{"id":"1805.10988","kind":"arxiv","version":3}},"canonical_sha256":"7703f6f1b947bab006ab5c0ced6bb589da1e55e19baa98d596b9fc2b946e6ddd","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"7703f6f1b947bab006ab5c0ced6bb589da1e55e19baa98d596b9fc2b946e6ddd","first_computed_at":"2026-05-18T00:03:55.875853Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-18T00:03:55.875853Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"Vvuq1QgpMS9cJNTlyKAIwsaaPpVqmcidy3+VG1ySOAIsJuT2YcEX1qcZp6O6cfaqa/MkgiRCUw5w1BHu0dwaCA==","signature_status":"signed_v1","signed_at":"2026-05-18T00:03:55.876585Z","signed_message":"canonical_sha256_bytes"},"source_id":"1805.10988","source_kind":"arxiv","source_version":3}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:1dfb2b9e3520f19b34563742298208f15ec8685b4a3c2ecc4169f440dde9d20b","sha256:2baad62448322df394759b12c57b47505b9c643e5b7c20fc488a5a4495feed98"],"state_sha256":"098e96636206d677b41dd66fd4772d4dff2c544723339361347448acd4fa4eb0"}