{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2022:LGHTCC4U565FYPQRH7TTS4P6J2","short_pith_number":"pith:LGHTCC4U","canonical_record":{"source":{"id":"2203.08097","kind":"arxiv","version":1},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2022-03-15T17:25:37Z","cross_cats_sorted":[],"title_canon_sha256":"4669a6bc7490ef2b8595cf3bbb90bcb5f59b1c6346dbb866d37372cbb1714c96","abstract_canon_sha256":"6262ca24179ac469219245e288f955ebdc48ba2ad0cefc1811bf33e3edb076f8"},"schema_version":"1.0"},"canonical_sha256":"598f310b94efba5c3e113fe73971fe4eac0b963e8ce0b9e74e161a680e379cbd","source":{"kind":"arxiv","id":"2203.08097","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2203.08097","created_at":"2026-07-05T04:05:26Z"},{"alias_kind":"arxiv_version","alias_value":"2203.08097v1","created_at":"2026-07-05T04:05:26Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2203.08097","created_at":"2026-07-05T04:05:26Z"},{"alias_kind":"pith_short_12","alias_value":"LGHTCC4U565F","created_at":"2026-07-05T04:05:26Z"},{"alias_kind":"pith_short_16","alias_value":"LGHTCC4U565FYPQR","created_at":"2026-07-05T04:05:26Z"},{"alias_kind":"pith_short_8","alias_value":"LGHTCC4U","created_at":"2026-07-05T04:05:26Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2022:LGHTCC4U565FYPQRH7TTS4P6J2","target":"record","payload":{"canonical_record":{"source":{"id":"2203.08097","kind":"arxiv","version":1},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2022-03-15T17:25:37Z","cross_cats_sorted":[],"title_canon_sha256":"4669a6bc7490ef2b8595cf3bbb90bcb5f59b1c6346dbb866d37372cbb1714c96","abstract_canon_sha256":"6262ca24179ac469219245e288f955ebdc48ba2ad0cefc1811bf33e3edb076f8"},"schema_version":"1.0"},"canonical_sha256":"598f310b94efba5c3e113fe73971fe4eac0b963e8ce0b9e74e161a680e379cbd","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T04:05:26.155235Z","signature_b64":"HwlkrAQLvG62ja3xTDImBA/xCg70YqwBN8ajKsqY6nMRcdY4QZATiiarqFqCtLscYrajN97NKGIsYWLL8dafAQ==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"598f310b94efba5c3e113fe73971fe4eac0b963e8ce0b9e74e161a680e379cbd","last_reissued_at":"2026-07-05T04:05:26.154828Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T04:05:26.154828Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2203.08097","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":"2026-07-05T04:05:26Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"VmkxFU63YNY9s8yfR+DFqdvJnJjrqjsSQSj18RsrVE2cOykqVGb5HAkhiGekx9DemF8eLAruQTUsSb8OrgSaAw==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-07-09T00:15:40.638365Z"},"content_sha256":"3af528885aeeaa23b3853ac2f7b3a7d661dc7865a618ed3ea49b52996f8b2c8d","schema_version":"1.0","event_id":"sha256:3af528885aeeaa23b3853ac2f7b3a7d661dc7865a618ed3ea49b52996f8b2c8d"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2022:LGHTCC4U565FYPQRH7TTS4P6J2","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Understanding chemical reactions via variational autoencoder and atomic representations","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Andreas Erlebach, Luk\\'a\\v{s} Grajciar, Martin \\v{S}\\'ipka","submitted_at":"2022-03-15T17:25:37Z","abstract_excerpt":"On the time scales accessible to atomistic numerical modelling, chemical reactions are considered rare events. Atomistic simulations are typically biased along a low-dimensional representation of a chemical reaction in an atomic structure space, i.e., along the collective variable, to accelerate sampling of these improbable events. However, suitable collective variables are often complicated to guess due to the complexity of the transitions. Therefore, we present an automatic method of generating robust collective variables from atomic representation vectors, using either fixed Behler-Parrinel"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2203.08097","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/2203.08097/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":"2026-07-05T04:05:26Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"BTQHMypw3DIou13s//ez+d0exN9FgMtZYjEHuzsUFWWuilKD3cAWpJItcBmYqLJ0KHwNobXu5o1terx5zT+ABw==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-07-09T00:15:40.638750Z"},"content_sha256":"37da301d70f1d681dd65f32a9a89951b3e227a8de2ee58ac10a7fbf62662dfad","schema_version":"1.0","event_id":"sha256:37da301d70f1d681dd65f32a9a89951b3e227a8de2ee58ac10a7fbf62662dfad"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/LGHTCC4U565FYPQRH7TTS4P6J2/bundle.json","state_url":"https://pith.science/pith/LGHTCC4U565FYPQRH7TTS4P6J2/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/LGHTCC4U565FYPQRH7TTS4P6J2/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":"2026-07-09T00:15:40Z","links":{"resolver":"https://pith.science/pith/LGHTCC4U565FYPQRH7TTS4P6J2","bundle":"https://pith.science/pith/LGHTCC4U565FYPQRH7TTS4P6J2/bundle.json","state":"https://pith.science/pith/LGHTCC4U565FYPQRH7TTS4P6J2/state.json","well_known_bundle":"https://pith.science/.well-known/pith/LGHTCC4U565FYPQRH7TTS4P6J2/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2022:LGHTCC4U565FYPQRH7TTS4P6J2","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":"6262ca24179ac469219245e288f955ebdc48ba2ad0cefc1811bf33e3edb076f8","cross_cats_sorted":[],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2022-03-15T17:25:37Z","title_canon_sha256":"4669a6bc7490ef2b8595cf3bbb90bcb5f59b1c6346dbb866d37372cbb1714c96"},"schema_version":"1.0","source":{"id":"2203.08097","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2203.08097","created_at":"2026-07-05T04:05:26Z"},{"alias_kind":"arxiv_version","alias_value":"2203.08097v1","created_at":"2026-07-05T04:05:26Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2203.08097","created_at":"2026-07-05T04:05:26Z"},{"alias_kind":"pith_short_12","alias_value":"LGHTCC4U565F","created_at":"2026-07-05T04:05:26Z"},{"alias_kind":"pith_short_16","alias_value":"LGHTCC4U565FYPQR","created_at":"2026-07-05T04:05:26Z"},{"alias_kind":"pith_short_8","alias_value":"LGHTCC4U","created_at":"2026-07-05T04:05:26Z"}],"graph_snapshots":[{"event_id":"sha256:37da301d70f1d681dd65f32a9a89951b3e227a8de2ee58ac10a7fbf62662dfad","target":"graph","created_at":"2026-07-05T04:05:26Z","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/2203.08097/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"On the time scales accessible to atomistic numerical modelling, chemical reactions are considered rare events. Atomistic simulations are typically biased along a low-dimensional representation of a chemical reaction in an atomic structure space, i.e., along the collective variable, to accelerate sampling of these improbable events. However, suitable collective variables are often complicated to guess due to the complexity of the transitions. Therefore, we present an automatic method of generating robust collective variables from atomic representation vectors, using either fixed Behler-Parrinel","authors_text":"Andreas Erlebach, Luk\\'a\\v{s} Grajciar, Martin \\v{S}\\'ipka","cross_cats":[],"headline":"","license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2022-03-15T17:25:37Z","title":"Understanding chemical reactions via variational autoencoder and atomic representations"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2203.08097","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":"sha256:3af528885aeeaa23b3853ac2f7b3a7d661dc7865a618ed3ea49b52996f8b2c8d","target":"record","created_at":"2026-07-05T04:05:26Z","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":"6262ca24179ac469219245e288f955ebdc48ba2ad0cefc1811bf33e3edb076f8","cross_cats_sorted":[],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2022-03-15T17:25:37Z","title_canon_sha256":"4669a6bc7490ef2b8595cf3bbb90bcb5f59b1c6346dbb866d37372cbb1714c96"},"schema_version":"1.0","source":{"id":"2203.08097","kind":"arxiv","version":1}},"canonical_sha256":"598f310b94efba5c3e113fe73971fe4eac0b963e8ce0b9e74e161a680e379cbd","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"598f310b94efba5c3e113fe73971fe4eac0b963e8ce0b9e74e161a680e379cbd","first_computed_at":"2026-07-05T04:05:26.154828Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T04:05:26.154828Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"HwlkrAQLvG62ja3xTDImBA/xCg70YqwBN8ajKsqY6nMRcdY4QZATiiarqFqCtLscYrajN97NKGIsYWLL8dafAQ==","signature_status":"signed_v1","signed_at":"2026-07-05T04:05:26.155235Z","signed_message":"canonical_sha256_bytes"},"source_id":"2203.08097","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:3af528885aeeaa23b3853ac2f7b3a7d661dc7865a618ed3ea49b52996f8b2c8d","sha256:37da301d70f1d681dd65f32a9a89951b3e227a8de2ee58ac10a7fbf62662dfad"],"state_sha256":"e68b3c6c16ee807b270030ab9fa5ec7d9afdc9280f971d9768186131443b6cd3"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"BdkJke3yM92gl92LIWD9u0xROv84MN+dTT1pDreoXH16gkjmoqAPBhkfLlT3/TBhn81WHebW+sESMfccS0FgDw==","signed_message":"bundle_sha256_bytes","signed_at":"2026-07-09T00:15:40.640800Z","bundle_sha256":"0acecddc47952a9884462996be75ed7eb66c8c4042673ed58cbd4304adedda99"}}