{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2021:JPPAOSJT5SEVVPQGA3WOKOOCFE","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":"fcc953ca7ea1fe292ec544bc8e5d0b3898527c59c60c153aba7fc9a7cdbde18b","cross_cats_sorted":["stat.ML"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2021-06-04T08:57:46Z","title_canon_sha256":"2a816b503705a642a681f44892e476e3488d69ae92ea28b3484a5c75f4ce19be"},"schema_version":"1.0","source":{"id":"2106.02347","kind":"arxiv","version":2}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2106.02347","created_at":"2026-07-05T03:24:11Z"},{"alias_kind":"arxiv_version","alias_value":"2106.02347v2","created_at":"2026-07-05T03:24:11Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2106.02347","created_at":"2026-07-05T03:24:11Z"},{"alias_kind":"pith_short_12","alias_value":"JPPAOSJT5SEV","created_at":"2026-07-05T03:24:11Z"},{"alias_kind":"pith_short_16","alias_value":"JPPAOSJT5SEVVPQG","created_at":"2026-07-05T03:24:11Z"},{"alias_kind":"pith_short_8","alias_value":"JPPAOSJT","created_at":"2026-07-05T03:24:11Z"}],"graph_snapshots":[{"event_id":"sha256:ed413e426fa9018c6c75bf45f81994f72a6cf1f6213470390e277ad858b4a54f","target":"graph","created_at":"2026-07-05T03:24:11Z","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/2106.02347/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"Machine learning has enabled the prediction of quantum chemical properties with high accuracy and efficiency, allowing to bypass computationally costly ab initio calculations. Instead of training on a fixed set of properties, more recent approaches attempt to learn the electronic wavefunction (or density) as a central quantity of atomistic systems, from which all other observables can be derived. This is complicated by the fact that wavefunctions transform non-trivially under molecular rotations, which makes them a challenging prediction target. To solve this issue, we introduce general SE(3)-","authors_text":"Klaus-Robert M\\\"uller, Mario Geiger, Michael Gastegger, Mihail Bogojeski, Oliver T. Unke, Tess Smidt","cross_cats":["stat.ML"],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2021-06-04T08:57:46Z","title":"SE(3)-equivariant prediction of molecular wavefunctions and electronic densities"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2106.02347","kind":"arxiv","version":2},"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:a570d607510a0172866d31d15db6c47379c2a6fefe4a541b9ea910090b353105","target":"record","created_at":"2026-07-05T03:24:11Z","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":"fcc953ca7ea1fe292ec544bc8e5d0b3898527c59c60c153aba7fc9a7cdbde18b","cross_cats_sorted":["stat.ML"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2021-06-04T08:57:46Z","title_canon_sha256":"2a816b503705a642a681f44892e476e3488d69ae92ea28b3484a5c75f4ce19be"},"schema_version":"1.0","source":{"id":"2106.02347","kind":"arxiv","version":2}},"canonical_sha256":"4bde074933ec895abe0606ece539c229172a1441c7638480970e7ad78ed7d3de","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"4bde074933ec895abe0606ece539c229172a1441c7638480970e7ad78ed7d3de","first_computed_at":"2026-07-05T03:24:11.234342Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T03:24:11.234342Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"YBly3Em74fDcjrpy7UPemoYCZ+IEmq0hE2a+D41WzWEBp29euKLoTZ4beFgp+decS0pBGgug123drbPcn+c9Cw==","signature_status":"signed_v1","signed_at":"2026-07-05T03:24:11.234840Z","signed_message":"canonical_sha256_bytes"},"source_id":"2106.02347","source_kind":"arxiv","source_version":2}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:a570d607510a0172866d31d15db6c47379c2a6fefe4a541b9ea910090b353105","sha256:ed413e426fa9018c6c75bf45f81994f72a6cf1f6213470390e277ad858b4a54f"],"state_sha256":"2c26305cb662c34cee0a760d2e5203f9b3983afbffbe7299fcb5d530b68769ad"}