{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2020:MBTFUARNZBMO2DRLZC7YFVKOJH","short_pith_number":"pith:MBTFUARN","canonical_record":{"source":{"id":"2002.09062","kind":"arxiv","version":2},"metadata":{"license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","primary_cat":"q-bio.MN","submitted_at":"2020-02-20T23:36:46Z","cross_cats_sorted":["cs.LG","physics.chem-ph","stat.ML"],"title_canon_sha256":"a6ef70f011b0beffa4f5bb8739b29860c42d8e2e5d7bd7f3bf6bc24bf15549e5","abstract_canon_sha256":"6d38d2d40ba270ebb938c52c73b994f1ac2b80f31d5b7a24aba9a5d73b9d462a"},"schema_version":"1.0"},"canonical_sha256":"60665a022dc858ed0e2bc8bf82d54e49ffb5877f1ff78ecfe187ec6e89d9c11a","source":{"kind":"arxiv","id":"2002.09062","version":2},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2002.09062","created_at":"2026-07-05T02:08:28Z"},{"alias_kind":"arxiv_version","alias_value":"2002.09062v2","created_at":"2026-07-05T02:08:28Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2002.09062","created_at":"2026-07-05T02:08:28Z"},{"alias_kind":"pith_short_12","alias_value":"MBTFUARNZBMO","created_at":"2026-07-05T02:08:28Z"},{"alias_kind":"pith_short_16","alias_value":"MBTFUARNZBMO2DRL","created_at":"2026-07-05T02:08:28Z"},{"alias_kind":"pith_short_8","alias_value":"MBTFUARN","created_at":"2026-07-05T02:08:28Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2020:MBTFUARNZBMO2DRLZC7YFVKOJH","target":"record","payload":{"canonical_record":{"source":{"id":"2002.09062","kind":"arxiv","version":2},"metadata":{"license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","primary_cat":"q-bio.MN","submitted_at":"2020-02-20T23:36:46Z","cross_cats_sorted":["cs.LG","physics.chem-ph","stat.ML"],"title_canon_sha256":"a6ef70f011b0beffa4f5bb8739b29860c42d8e2e5d7bd7f3bf6bc24bf15549e5","abstract_canon_sha256":"6d38d2d40ba270ebb938c52c73b994f1ac2b80f31d5b7a24aba9a5d73b9d462a"},"schema_version":"1.0"},"canonical_sha256":"60665a022dc858ed0e2bc8bf82d54e49ffb5877f1ff78ecfe187ec6e89d9c11a","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T02:08:28.880741Z","signature_b64":"fDAZqsDBk9aMN4LaTvT60Ir7jKa9kDHGqrbBwGgz9279y4YHGESTYN0OZj0K3o8zw5z9rf6tByEZhf+PD2gRDw==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"60665a022dc858ed0e2bc8bf82d54e49ffb5877f1ff78ecfe187ec6e89d9c11a","last_reissued_at":"2026-07-05T02:08:28.880293Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T02:08:28.880293Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2002.09062","source_version":2,"attestation_state":"computed"},"signer":{"signer_id":"pith.science","signer_type":"pith_registry","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"created_at":"2026-07-05T02:08:28Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"4PSTc7Kp23d5mqJXz1YYZc0e4jfVUXzwo57Z+B+2+7nyHYs2K42OwdoIrSYYaBrofW0FWKLxeJ4FKLeP3V5ICw==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-10T13:52:34.260950Z"},"content_sha256":"e48542c852c5e8c836bd327006488186da1d9cf5f3342d1e7ece52fdcda920cf","schema_version":"1.0","event_id":"sha256:e48542c852c5e8c836bd327006488186da1d9cf5f3342d1e7ece52fdcda920cf"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2020:MBTFUARNZBMO2DRLZC7YFVKOJH","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Autonomous Discovery of Unknown Reaction Pathways from Data by Chemical Reaction Neural Network","license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","headline":"","cross_cats":["cs.LG","physics.chem-ph","stat.ML"],"primary_cat":"q-bio.MN","authors_text":"Sili Deng, Weiqi Ji","submitted_at":"2020-02-20T23:36:46Z","abstract_excerpt":"Chemical reactions occur in energy, environmental, biological, and many other natural systems, and the inference of the reaction networks is essential to understand and design the chemical processes in engineering and life sciences. Yet, revealing the reaction pathways for complex systems and processes is still challenging due to the lack of knowledge of the involved species and reactions. Here, we present a neural network approach that autonomously discovers reaction pathways from the time-resolved species concentration data. The proposed Chemical Reaction Neural Network (CRNN), by design, sa"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2002.09062","kind":"arxiv","version":2},"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/2002.09062/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":"2026-07-05T02:08:28Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"DfGxQwuogUWUkkUiUYVUOWvz+NtwOtmGUw/r12caE2d47K42ZHUTFHlPqFpZFkwot2Sk+tg0gz8dryNANhUtCQ==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-10T13:52:34.261476Z"},"content_sha256":"51af87e1de85a008c3cbe52a2eaeb5a965519e74bf37fa58891a3d509812aad7","schema_version":"1.0","event_id":"sha256:51af87e1de85a008c3cbe52a2eaeb5a965519e74bf37fa58891a3d509812aad7"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/MBTFUARNZBMO2DRLZC7YFVKOJH/bundle.json","state_url":"https://pith.science/pith/MBTFUARNZBMO2DRLZC7YFVKOJH/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/MBTFUARNZBMO2DRLZC7YFVKOJH/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":"2026-08-10T13:52:34Z","links":{"resolver":"https://pith.science/pith/MBTFUARNZBMO2DRLZC7YFVKOJH","bundle":"https://pith.science/pith/MBTFUARNZBMO2DRLZC7YFVKOJH/bundle.json","state":"https://pith.science/pith/MBTFUARNZBMO2DRLZC7YFVKOJH/state.json","well_known_bundle":"https://pith.science/.well-known/pith/MBTFUARNZBMO2DRLZC7YFVKOJH/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2020:MBTFUARNZBMO2DRLZC7YFVKOJH","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":"6d38d2d40ba270ebb938c52c73b994f1ac2b80f31d5b7a24aba9a5d73b9d462a","cross_cats_sorted":["cs.LG","physics.chem-ph","stat.ML"],"license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","primary_cat":"q-bio.MN","submitted_at":"2020-02-20T23:36:46Z","title_canon_sha256":"a6ef70f011b0beffa4f5bb8739b29860c42d8e2e5d7bd7f3bf6bc24bf15549e5"},"schema_version":"1.0","source":{"id":"2002.09062","kind":"arxiv","version":2}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2002.09062","created_at":"2026-07-05T02:08:28Z"},{"alias_kind":"arxiv_version","alias_value":"2002.09062v2","created_at":"2026-07-05T02:08:28Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2002.09062","created_at":"2026-07-05T02:08:28Z"},{"alias_kind":"pith_short_12","alias_value":"MBTFUARNZBMO","created_at":"2026-07-05T02:08:28Z"},{"alias_kind":"pith_short_16","alias_value":"MBTFUARNZBMO2DRL","created_at":"2026-07-05T02:08:28Z"},{"alias_kind":"pith_short_8","alias_value":"MBTFUARN","created_at":"2026-07-05T02:08:28Z"}],"graph_snapshots":[{"event_id":"sha256:51af87e1de85a008c3cbe52a2eaeb5a965519e74bf37fa58891a3d509812aad7","target":"graph","created_at":"2026-07-05T02:08:28Z","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/2002.09062/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"Chemical reactions occur in energy, environmental, biological, and many other natural systems, and the inference of the reaction networks is essential to understand and design the chemical processes in engineering and life sciences. Yet, revealing the reaction pathways for complex systems and processes is still challenging due to the lack of knowledge of the involved species and reactions. Here, we present a neural network approach that autonomously discovers reaction pathways from the time-resolved species concentration data. The proposed Chemical Reaction Neural Network (CRNN), by design, sa","authors_text":"Sili Deng, Weiqi Ji","cross_cats":["cs.LG","physics.chem-ph","stat.ML"],"headline":"","license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","primary_cat":"q-bio.MN","submitted_at":"2020-02-20T23:36:46Z","title":"Autonomous Discovery of Unknown Reaction Pathways from Data by Chemical Reaction Neural Network"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2002.09062","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:e48542c852c5e8c836bd327006488186da1d9cf5f3342d1e7ece52fdcda920cf","target":"record","created_at":"2026-07-05T02:08:28Z","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":"6d38d2d40ba270ebb938c52c73b994f1ac2b80f31d5b7a24aba9a5d73b9d462a","cross_cats_sorted":["cs.LG","physics.chem-ph","stat.ML"],"license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","primary_cat":"q-bio.MN","submitted_at":"2020-02-20T23:36:46Z","title_canon_sha256":"a6ef70f011b0beffa4f5bb8739b29860c42d8e2e5d7bd7f3bf6bc24bf15549e5"},"schema_version":"1.0","source":{"id":"2002.09062","kind":"arxiv","version":2}},"canonical_sha256":"60665a022dc858ed0e2bc8bf82d54e49ffb5877f1ff78ecfe187ec6e89d9c11a","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"60665a022dc858ed0e2bc8bf82d54e49ffb5877f1ff78ecfe187ec6e89d9c11a","first_computed_at":"2026-07-05T02:08:28.880293Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T02:08:28.880293Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"fDAZqsDBk9aMN4LaTvT60Ir7jKa9kDHGqrbBwGgz9279y4YHGESTYN0OZj0K3o8zw5z9rf6tByEZhf+PD2gRDw==","signature_status":"signed_v1","signed_at":"2026-07-05T02:08:28.880741Z","signed_message":"canonical_sha256_bytes"},"source_id":"2002.09062","source_kind":"arxiv","source_version":2}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:e48542c852c5e8c836bd327006488186da1d9cf5f3342d1e7ece52fdcda920cf","sha256:51af87e1de85a008c3cbe52a2eaeb5a965519e74bf37fa58891a3d509812aad7"],"state_sha256":"9b8cacffd773a17fc6727096a951599fa8a82b9f18e2626eaf166e9ca8070f5d"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"ny5VZd7f/q8rJ1YZjxysKGCmKrV1HRnUQynnObMJDuyauuyv8E7xrRi2L+WrE8sP8w62tFogbBynET7ho46WDA==","signed_message":"bundle_sha256_bytes","signed_at":"2026-08-10T13:52:34.268075Z","bundle_sha256":"68cda7f257dcd94005f23a38ac272cb94f002336c8bed82e7566c78374322735"}}