{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2021:OBLBHAJV27BVNZ7JP6R6A72FGG","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":"15ee4a37e97fbbfcfc98f8c552b9305829023f2d70547fdde22d04f1d74efca2","cross_cats_sorted":["cond-mat.mtrl-sci","cs.LG"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.comp-ph","submitted_at":"2021-01-08T18:49:10Z","title_canon_sha256":"8b099a00a28aa4b514f6ddcaa27b1c4591c0b7ac8c7b95427bce32a46f51075d"},"schema_version":"1.0","source":{"id":"2101.03164","kind":"arxiv","version":3}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2101.03164","created_at":"2026-07-05T04:23:34Z"},{"alias_kind":"arxiv_version","alias_value":"2101.03164v3","created_at":"2026-07-05T04:23:34Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2101.03164","created_at":"2026-07-05T04:23:34Z"},{"alias_kind":"pith_short_12","alias_value":"OBLBHAJV27BV","created_at":"2026-07-05T04:23:34Z"},{"alias_kind":"pith_short_16","alias_value":"OBLBHAJV27BVNZ7J","created_at":"2026-07-05T04:23:34Z"},{"alias_kind":"pith_short_8","alias_value":"OBLBHAJV","created_at":"2026-07-05T04:23:34Z"}],"graph_snapshots":[{"event_id":"sha256:31a4ac502779c8b39b3cf91c7cc0ca8c19c9c5eaa021a90b6d903400161ef2ac","target":"graph","created_at":"2026-07-05T04:23:34Z","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/2101.03164/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"This work presents Neural Equivariant Interatomic Potentials (NequIP), an E(3)-equivariant neural network approach for learning interatomic potentials from ab-initio calculations for molecular dynamics simulations. While most contemporary symmetry-aware models use invariant convolutions and only act on scalars, NequIP employs E(3)-equivariant convolutions for interactions of geometric tensors, resulting in a more information-rich and faithful representation of atomic environments. The method achieves state-of-the-art accuracy on a challenging and diverse set of molecules and materials while ex","authors_text":"Albert Musaelian, Boris Kozinsky, Jonathan P. Mailoa, Lixin Sun, Mario Geiger, Mordechai Kornbluth, Nicola Molinari, Simon Batzner, Tess E. Smidt","cross_cats":["cond-mat.mtrl-sci","cs.LG"],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.comp-ph","submitted_at":"2021-01-08T18:49:10Z","title":"E(3)-Equivariant Graph Neural Networks for Data-Efficient and Accurate Interatomic Potentials"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2101.03164","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:ab113890e490079fe482a5b71799cf193cc07d253cbdf5518488373599b70dc1","target":"record","created_at":"2026-07-05T04:23:34Z","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":"15ee4a37e97fbbfcfc98f8c552b9305829023f2d70547fdde22d04f1d74efca2","cross_cats_sorted":["cond-mat.mtrl-sci","cs.LG"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.comp-ph","submitted_at":"2021-01-08T18:49:10Z","title_canon_sha256":"8b099a00a28aa4b514f6ddcaa27b1c4591c0b7ac8c7b95427bce32a46f51075d"},"schema_version":"1.0","source":{"id":"2101.03164","kind":"arxiv","version":3}},"canonical_sha256":"7056138135d7c356e7e97fa3e07f4531a2ed793b2dd00399f2f8173a4dc4a1e4","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"7056138135d7c356e7e97fa3e07f4531a2ed793b2dd00399f2f8173a4dc4a1e4","first_computed_at":"2026-07-05T04:23:34.401847Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T04:23:34.401847Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"3MrfGrzuQirmT9g0jXTLdTv0c+4ceEBlyEdLlZSyDOyF8FuVuJR8myFrJKqKiPxq4DNqHCrzG7eHYNjZLuXaBQ==","signature_status":"signed_v1","signed_at":"2026-07-05T04:23:34.402270Z","signed_message":"canonical_sha256_bytes"},"source_id":"2101.03164","source_kind":"arxiv","source_version":3}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:ab113890e490079fe482a5b71799cf193cc07d253cbdf5518488373599b70dc1","sha256:31a4ac502779c8b39b3cf91c7cc0ca8c19c9c5eaa021a90b6d903400161ef2ac"],"state_sha256":"246edce9e46fb76cbcc952cfacf7c06f306a69e5850fc2309f16291642277bb5"}