{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2023:VK5FEORMWEQRN44TCMRMVRIBYQ","short_pith_number":"pith:VK5FEORM","canonical_record":{"source":{"id":"2310.10695","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.comp-ph","submitted_at":"2023-10-16T02:53:24Z","cross_cats_sorted":["cs.LG"],"title_canon_sha256":"0de9bc318c1dfa52d9612318a1134bc1632594aa23180da9044de64f5381e0be","abstract_canon_sha256":"bda1edeb81ef67a5b35224bbdee65b016e807f1e6f3269ac9507db3309ce44c2"},"schema_version":"1.0"},"canonical_sha256":"aaba523a2cb12116f3931322cac501c417c524166d0c23b943ee5a6a63b659db","source":{"kind":"arxiv","id":"2310.10695","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2310.10695","created_at":"2026-07-05T07:01:26Z"},{"alias_kind":"arxiv_version","alias_value":"2310.10695v1","created_at":"2026-07-05T07:01:26Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2310.10695","created_at":"2026-07-05T07:01:26Z"},{"alias_kind":"pith_short_12","alias_value":"VK5FEORMWEQR","created_at":"2026-07-05T07:01:26Z"},{"alias_kind":"pith_short_16","alias_value":"VK5FEORMWEQRN44T","created_at":"2026-07-05T07:01:26Z"},{"alias_kind":"pith_short_8","alias_value":"VK5FEORM","created_at":"2026-07-05T07:01:26Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2023:VK5FEORMWEQRN44TCMRMVRIBYQ","target":"record","payload":{"canonical_record":{"source":{"id":"2310.10695","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.comp-ph","submitted_at":"2023-10-16T02:53:24Z","cross_cats_sorted":["cs.LG"],"title_canon_sha256":"0de9bc318c1dfa52d9612318a1134bc1632594aa23180da9044de64f5381e0be","abstract_canon_sha256":"bda1edeb81ef67a5b35224bbdee65b016e807f1e6f3269ac9507db3309ce44c2"},"schema_version":"1.0"},"canonical_sha256":"aaba523a2cb12116f3931322cac501c417c524166d0c23b943ee5a6a63b659db","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T07:01:26.743261Z","signature_b64":"pjOF5+1JlVkrmUCezQQmJl8zACyYInNYWub0bDaBGsIS5p5oEA8S8o2EKwy2T8X2hww2MZXgouUpYq6ti1C4BA==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"aaba523a2cb12116f3931322cac501c417c524166d0c23b943ee5a6a63b659db","last_reissued_at":"2026-07-05T07:01:26.742835Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T07:01:26.742835Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2310.10695","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":"2026-07-05T07:01:26Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"j9vwP2IV14BUZE6ef/VL/0nxEr6YIGyrbuziLHkiFhcd5ZOXnRvRhrF2tdNGfisjNFkpW0ehk5+oljPCpZiMBQ==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-07-27T02:13:21.657820Z"},"content_sha256":"ccb57f1cf2b239600d8a3ec7651bbaee6dea2a97c9d0b802ca0c2c4b52ec697e","schema_version":"1.0","event_id":"sha256:ccb57f1cf2b239600d8a3ec7651bbaee6dea2a97c9d0b802ca0c2c4b52ec697e"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2023:VK5FEORMWEQRN44TCMRMVRIBYQ","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Data-Driven Score-Based Models for Generating Stable Structures with Adaptive Crystal Cells","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cs.LG"],"primary_cat":"physics.comp-ph","authors_text":"Arsen Sultanov, Jean-Claude Crivello, Nataliya Sokolovska, Tabea Rebafka","submitted_at":"2023-10-16T02:53:24Z","abstract_excerpt":"The discovery of new functional and stable materials is a big challenge due to its complexity. This work aims at the generation of new crystal structures with desired properties, such as chemical stability and specified chemical composition, by using machine learning generative models. Compared to the generation of molecules, crystal structures pose new difficulties arising from the periodic nature of the crystal and from the specific symmetry constraints related to the space group. In this work, score-based probabilistic models based on annealed Langevin dynamics, which have shown excellent p"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2310.10695","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/2310.10695/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":"2026-07-05T07:01:26Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"u0IDHh02LgNkBhLZjKVB5YylxF/LhMtofopAFTHAbIBDIFZ+R56miRSXSRgGulcnNj90DenlsAaMZRM3SfEABQ==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-07-27T02:13:21.658193Z"},"content_sha256":"9e4bd8b8c3746b12f8362ccf2a45e1c4bc842befa0e06706121661fda801871a","schema_version":"1.0","event_id":"sha256:9e4bd8b8c3746b12f8362ccf2a45e1c4bc842befa0e06706121661fda801871a"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/VK5FEORMWEQRN44TCMRMVRIBYQ/bundle.json","state_url":"https://pith.science/pith/VK5FEORMWEQRN44TCMRMVRIBYQ/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/VK5FEORMWEQRN44TCMRMVRIBYQ/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":"2026-07-27T02:13:21Z","links":{"resolver":"https://pith.science/pith/VK5FEORMWEQRN44TCMRMVRIBYQ","bundle":"https://pith.science/pith/VK5FEORMWEQRN44TCMRMVRIBYQ/bundle.json","state":"https://pith.science/pith/VK5FEORMWEQRN44TCMRMVRIBYQ/state.json","well_known_bundle":"https://pith.science/.well-known/pith/VK5FEORMWEQRN44TCMRMVRIBYQ/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2023:VK5FEORMWEQRN44TCMRMVRIBYQ","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":"bda1edeb81ef67a5b35224bbdee65b016e807f1e6f3269ac9507db3309ce44c2","cross_cats_sorted":["cs.LG"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.comp-ph","submitted_at":"2023-10-16T02:53:24Z","title_canon_sha256":"0de9bc318c1dfa52d9612318a1134bc1632594aa23180da9044de64f5381e0be"},"schema_version":"1.0","source":{"id":"2310.10695","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2310.10695","created_at":"2026-07-05T07:01:26Z"},{"alias_kind":"arxiv_version","alias_value":"2310.10695v1","created_at":"2026-07-05T07:01:26Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2310.10695","created_at":"2026-07-05T07:01:26Z"},{"alias_kind":"pith_short_12","alias_value":"VK5FEORMWEQR","created_at":"2026-07-05T07:01:26Z"},{"alias_kind":"pith_short_16","alias_value":"VK5FEORMWEQRN44T","created_at":"2026-07-05T07:01:26Z"},{"alias_kind":"pith_short_8","alias_value":"VK5FEORM","created_at":"2026-07-05T07:01:26Z"}],"graph_snapshots":[{"event_id":"sha256:9e4bd8b8c3746b12f8362ccf2a45e1c4bc842befa0e06706121661fda801871a","target":"graph","created_at":"2026-07-05T07:01:26Z","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/2310.10695/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"The discovery of new functional and stable materials is a big challenge due to its complexity. This work aims at the generation of new crystal structures with desired properties, such as chemical stability and specified chemical composition, by using machine learning generative models. Compared to the generation of molecules, crystal structures pose new difficulties arising from the periodic nature of the crystal and from the specific symmetry constraints related to the space group. In this work, score-based probabilistic models based on annealed Langevin dynamics, which have shown excellent p","authors_text":"Arsen Sultanov, Jean-Claude Crivello, Nataliya Sokolovska, Tabea Rebafka","cross_cats":["cs.LG"],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.comp-ph","submitted_at":"2023-10-16T02:53:24Z","title":"Data-Driven Score-Based Models for Generating Stable Structures with Adaptive Crystal Cells"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2310.10695","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:ccb57f1cf2b239600d8a3ec7651bbaee6dea2a97c9d0b802ca0c2c4b52ec697e","target":"record","created_at":"2026-07-05T07:01:26Z","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":"bda1edeb81ef67a5b35224bbdee65b016e807f1e6f3269ac9507db3309ce44c2","cross_cats_sorted":["cs.LG"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.comp-ph","submitted_at":"2023-10-16T02:53:24Z","title_canon_sha256":"0de9bc318c1dfa52d9612318a1134bc1632594aa23180da9044de64f5381e0be"},"schema_version":"1.0","source":{"id":"2310.10695","kind":"arxiv","version":1}},"canonical_sha256":"aaba523a2cb12116f3931322cac501c417c524166d0c23b943ee5a6a63b659db","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"aaba523a2cb12116f3931322cac501c417c524166d0c23b943ee5a6a63b659db","first_computed_at":"2026-07-05T07:01:26.742835Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T07:01:26.742835Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"pjOF5+1JlVkrmUCezQQmJl8zACyYInNYWub0bDaBGsIS5p5oEA8S8o2EKwy2T8X2hww2MZXgouUpYq6ti1C4BA==","signature_status":"signed_v1","signed_at":"2026-07-05T07:01:26.743261Z","signed_message":"canonical_sha256_bytes"},"source_id":"2310.10695","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:ccb57f1cf2b239600d8a3ec7651bbaee6dea2a97c9d0b802ca0c2c4b52ec697e","sha256:9e4bd8b8c3746b12f8362ccf2a45e1c4bc842befa0e06706121661fda801871a"],"state_sha256":"bbd87bb1c948ad5bbe6ca7180117d40670819284e3490a53adf9cb75b9f221b4"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"e0PvQCPCLMD/MLOSU48ze+jvM9SHxQDBkbS+BgkpEw73KJWny8IK5JQrMYh+b7OcYn3zeVsxG4KdaFUkJPHCBA==","signed_message":"bundle_sha256_bytes","signed_at":"2026-07-27T02:13:21.660584Z","bundle_sha256":"d6e8cd90634c24a63d1b30c2a781efb0b6a7155ce1e793803f3357e98898eb3d"}}