{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2024:NF53SATJ3HKJWSRDHJ3I63YMOU","short_pith_number":"pith:NF53SATJ","canonical_record":{"source":{"id":"2405.05156","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2024-05-08T15:47:38Z","cross_cats_sorted":[],"title_canon_sha256":"502aa51f3cd57b57881341ff55c64f81014334d2945535a891296e28597b5675","abstract_canon_sha256":"201b2afe1a5c8981c29975cf7e29bdce840cffd1199aa4695ee458f4ce89c38a"},"schema_version":"1.0"},"canonical_sha256":"697bb90269d9d49b4a233a768f6f0c7510699300a7435eca27c9fa4baed08e2a","source":{"kind":"arxiv","id":"2405.05156","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2405.05156","created_at":"2026-07-05T10:49:05Z"},{"alias_kind":"arxiv_version","alias_value":"2405.05156v1","created_at":"2026-07-05T10:49:05Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2405.05156","created_at":"2026-07-05T10:49:05Z"},{"alias_kind":"pith_short_12","alias_value":"NF53SATJ3HKJ","created_at":"2026-07-05T10:49:05Z"},{"alias_kind":"pith_short_16","alias_value":"NF53SATJ3HKJWSRD","created_at":"2026-07-05T10:49:05Z"},{"alias_kind":"pith_short_8","alias_value":"NF53SATJ","created_at":"2026-07-05T10:49:05Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2024:NF53SATJ3HKJWSRDHJ3I63YMOU","target":"record","payload":{"canonical_record":{"source":{"id":"2405.05156","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2024-05-08T15:47:38Z","cross_cats_sorted":[],"title_canon_sha256":"502aa51f3cd57b57881341ff55c64f81014334d2945535a891296e28597b5675","abstract_canon_sha256":"201b2afe1a5c8981c29975cf7e29bdce840cffd1199aa4695ee458f4ce89c38a"},"schema_version":"1.0"},"canonical_sha256":"697bb90269d9d49b4a233a768f6f0c7510699300a7435eca27c9fa4baed08e2a","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T10:49:05.943540Z","signature_b64":"0Qa3GhiukYUamnVi2spj/nyW8QUTVmQfnD5RMWpLNmX+gM2tn9wZpOB1FKfWKzhSk7dcwRk0eIgYzsLMEfv2CA==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"697bb90269d9d49b4a233a768f6f0c7510699300a7435eca27c9fa4baed08e2a","last_reissued_at":"2026-07-05T10:49:05.943054Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T10:49:05.943054Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2405.05156","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":"2026-07-05T10:49:05Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"i4yrtedGrCKtfTMn4bqwAcNk6IxlxkBXOW3OpCWr9zTsWiIUyZOyfRDBDQmXWDJB2g2Lp83vKxd/L2NZll+UDg==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-01T09:03:37.217479Z"},"content_sha256":"df87955580af5ae90f61366d5ae52547a1b4efa3e3a9ea4586f762dbdb2daec1","schema_version":"1.0","event_id":"sha256:df87955580af5ae90f61366d5ae52547a1b4efa3e3a9ea4586f762dbdb2daec1"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2024:NF53SATJ3HKJWSRDHJ3I63YMOU","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Crystal structure identification with 3D convolutional neural networks with application to high-pressure phase transitions in SiO$_2$","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Arne J. Klomp, Daniel Utt, Karsten Albe, Linus C. Erhard","submitted_at":"2024-05-08T15:47:38Z","abstract_excerpt":"Efficient, reliable and easy-to-use structure recognition of atomic environments is essential for the analysis of atomic scale computer simulations. In this work, we train two neuronal network (NN) architectures, namely PointNet and dynamic graph convolutional NN (DG-CNN) using different hyperparameters and training regimes to assess their performance in structure identification tasks of atomistic structure data. We show benchmarks on simple crystal structures, where we can compare against established methods. The approach is subsequently extended to structurally more complex SiO$_2$ phases. B"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2405.05156","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/2405.05156/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":"2026-07-05T10:49:05Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"R9863ac3g1T8Odip44MlRXtHuGHI6NLKjiBQg8rze9QoJZMAR57pdTO2yUR5VsgNcCqIZSthEkPKJkr7VRV4CA==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-01T09:03:37.218025Z"},"content_sha256":"20b5c949d07159e2090367bdab4d44bea59a05a730563ecffbba401772f712e4","schema_version":"1.0","event_id":"sha256:20b5c949d07159e2090367bdab4d44bea59a05a730563ecffbba401772f712e4"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/NF53SATJ3HKJWSRDHJ3I63YMOU/bundle.json","state_url":"https://pith.science/pith/NF53SATJ3HKJWSRDHJ3I63YMOU/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/NF53SATJ3HKJWSRDHJ3I63YMOU/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":"2026-08-01T09:03:37Z","links":{"resolver":"https://pith.science/pith/NF53SATJ3HKJWSRDHJ3I63YMOU","bundle":"https://pith.science/pith/NF53SATJ3HKJWSRDHJ3I63YMOU/bundle.json","state":"https://pith.science/pith/NF53SATJ3HKJWSRDHJ3I63YMOU/state.json","well_known_bundle":"https://pith.science/.well-known/pith/NF53SATJ3HKJWSRDHJ3I63YMOU/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2024:NF53SATJ3HKJWSRDHJ3I63YMOU","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":"201b2afe1a5c8981c29975cf7e29bdce840cffd1199aa4695ee458f4ce89c38a","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2024-05-08T15:47:38Z","title_canon_sha256":"502aa51f3cd57b57881341ff55c64f81014334d2945535a891296e28597b5675"},"schema_version":"1.0","source":{"id":"2405.05156","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2405.05156","created_at":"2026-07-05T10:49:05Z"},{"alias_kind":"arxiv_version","alias_value":"2405.05156v1","created_at":"2026-07-05T10:49:05Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2405.05156","created_at":"2026-07-05T10:49:05Z"},{"alias_kind":"pith_short_12","alias_value":"NF53SATJ3HKJ","created_at":"2026-07-05T10:49:05Z"},{"alias_kind":"pith_short_16","alias_value":"NF53SATJ3HKJWSRD","created_at":"2026-07-05T10:49:05Z"},{"alias_kind":"pith_short_8","alias_value":"NF53SATJ","created_at":"2026-07-05T10:49:05Z"}],"graph_snapshots":[{"event_id":"sha256:20b5c949d07159e2090367bdab4d44bea59a05a730563ecffbba401772f712e4","target":"graph","created_at":"2026-07-05T10:49:05Z","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/2405.05156/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"Efficient, reliable and easy-to-use structure recognition of atomic environments is essential for the analysis of atomic scale computer simulations. In this work, we train two neuronal network (NN) architectures, namely PointNet and dynamic graph convolutional NN (DG-CNN) using different hyperparameters and training regimes to assess their performance in structure identification tasks of atomistic structure data. We show benchmarks on simple crystal structures, where we can compare against established methods. The approach is subsequently extended to structurally more complex SiO$_2$ phases. B","authors_text":"Arne J. Klomp, Daniel Utt, Karsten Albe, Linus C. Erhard","cross_cats":[],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2024-05-08T15:47:38Z","title":"Crystal structure identification with 3D convolutional neural networks with application to high-pressure phase transitions in SiO$_2$"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2405.05156","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:df87955580af5ae90f61366d5ae52547a1b4efa3e3a9ea4586f762dbdb2daec1","target":"record","created_at":"2026-07-05T10:49:05Z","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":"201b2afe1a5c8981c29975cf7e29bdce840cffd1199aa4695ee458f4ce89c38a","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2024-05-08T15:47:38Z","title_canon_sha256":"502aa51f3cd57b57881341ff55c64f81014334d2945535a891296e28597b5675"},"schema_version":"1.0","source":{"id":"2405.05156","kind":"arxiv","version":1}},"canonical_sha256":"697bb90269d9d49b4a233a768f6f0c7510699300a7435eca27c9fa4baed08e2a","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"697bb90269d9d49b4a233a768f6f0c7510699300a7435eca27c9fa4baed08e2a","first_computed_at":"2026-07-05T10:49:05.943054Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T10:49:05.943054Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"0Qa3GhiukYUamnVi2spj/nyW8QUTVmQfnD5RMWpLNmX+gM2tn9wZpOB1FKfWKzhSk7dcwRk0eIgYzsLMEfv2CA==","signature_status":"signed_v1","signed_at":"2026-07-05T10:49:05.943540Z","signed_message":"canonical_sha256_bytes"},"source_id":"2405.05156","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:df87955580af5ae90f61366d5ae52547a1b4efa3e3a9ea4586f762dbdb2daec1","sha256:20b5c949d07159e2090367bdab4d44bea59a05a730563ecffbba401772f712e4"],"state_sha256":"6fec8b1929da0de3bac9f23c5b65798f649b52016be10b4eb53e4ae5fa9cb093"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"0g3EIb64JIZjqw00chvpphpUcOXPL50/y255sd4yWOql8/Z4O9aS7klZcMDjoJ2Eb33ciJ2t9QlWK1d8DQ6IAQ==","signed_message":"bundle_sha256_bytes","signed_at":"2026-08-01T09:03:37.223257Z","bundle_sha256":"296f76456196f89b7d68a5cde794d330ffe578bf40d96123f04cbc019c1cab60"}}