{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2026:UMFSPCNPPRRDXTBP5NWN6ZYEJ7","short_pith_number":"pith:UMFSPCNP","canonical_record":{"source":{"id":"2607.22338","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2026-07-24T14:14:42Z","cross_cats_sorted":[],"title_canon_sha256":"f40474ad1e3d691f4c1b29daa2f1f008df4990abe99eccccc0bfbc78a9971de5","abstract_canon_sha256":"689090807ada68caa41d0a76c119cca651f740dd05f9336c73a19f34789e84c6"},"schema_version":"1.0"},"canonical_sha256":"a30b2789af7c623bcc2feb6cdf67044ff3bf2bbfc9189c7143e08ebfd3da0394","source":{"kind":"arxiv","id":"2607.22338","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2607.22338","created_at":"2026-07-27T01:21:03Z"},{"alias_kind":"arxiv_version","alias_value":"2607.22338v1","created_at":"2026-07-27T01:21:03Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2607.22338","created_at":"2026-07-27T01:21:03Z"},{"alias_kind":"pith_short_12","alias_value":"UMFSPCNPPRRD","created_at":"2026-07-27T01:21:03Z"},{"alias_kind":"pith_short_16","alias_value":"UMFSPCNPPRRDXTBP","created_at":"2026-07-27T01:21:03Z"},{"alias_kind":"pith_short_8","alias_value":"UMFSPCNP","created_at":"2026-07-27T01:21:03Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2026:UMFSPCNPPRRDXTBP5NWN6ZYEJ7","target":"record","payload":{"canonical_record":{"source":{"id":"2607.22338","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2026-07-24T14:14:42Z","cross_cats_sorted":[],"title_canon_sha256":"f40474ad1e3d691f4c1b29daa2f1f008df4990abe99eccccc0bfbc78a9971de5","abstract_canon_sha256":"689090807ada68caa41d0a76c119cca651f740dd05f9336c73a19f34789e84c6"},"schema_version":"1.0"},"canonical_sha256":"a30b2789af7c623bcc2feb6cdf67044ff3bf2bbfc9189c7143e08ebfd3da0394","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-27T01:21:03.583822Z","signature_b64":"tNnxPLLC5/8c7eNCsnk0o8m9uc+JfpMsIOzw5tZTTWLzfYDFU85+hIPCxZd8SFV31JnWM0OxgJ64khAaa8HdAQ==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"a30b2789af7c623bcc2feb6cdf67044ff3bf2bbfc9189c7143e08ebfd3da0394","last_reissued_at":"2026-07-27T01:21:03.582971Z","signature_status":"signed_v1","first_computed_at":"2026-07-27T01:21:03.582971Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2607.22338","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":"2026-07-27T01:21:03Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"ydfqkbbdQ7a9tSZV7DcmjvOudg7WzXHXHrdjs2rlsAiVAl3mUH8uTb0dE7I2C9fEJ9fKnhTQvXp89PKhGsb+AQ==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-09T15:44:06.834932Z"},"content_sha256":"a46531e54197c7a3d3c201fd0cdcadce6d63e205b4f172a4183e12d2ab04a97d","schema_version":"1.0","event_id":"sha256:a46531e54197c7a3d3c201fd0cdcadce6d63e205b4f172a4183e12d2ab04a97d"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2026:UMFSPCNPPRRDXTBP5NWN6ZYEJ7","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Uncertainty Quantification for Free Energy Calculations by Generalized Hierarchical Bayesian Inference","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Adam Gottfried, Brennon L. Shanks, Katarina Baxova, Martin Skorna, Pavel Jungwirth, Zuzana Janackova","submitted_at":"2026-07-24T14:14:42Z","abstract_excerpt":"Free energy calculations are routinely used to study molecular processes inaccessible to unbiased molecular dynamics, but their utility ultimately depends on knowing when and how much their predictions can be trusted. Uncertainty estimation is therefore essential for distinguishing genuine physical features of a free energy profile from artifacts arising from limited simulation data or inadequate sampling. Gaussian processes have emerged as a powerful framework for reconstructing free energy profiles together with predictive uncertainties. However, existing implementations typically condition "},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2607.22338","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/2607.22338/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":"2026-07-27T01:21:03Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"P9xE8L7sRRgMNs2iu7hY2i8h0YC+2FcNziSkGxuSlRpUS1bj2aeOX+8yXCTprCpg0KSIXk3p+kpgo/z98ookCw==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-09T15:44:06.835454Z"},"content_sha256":"f5bf51d97d6b6d4804ce6bdb59181566895807323108f5b51cf43107a17eac25","schema_version":"1.0","event_id":"sha256:f5bf51d97d6b6d4804ce6bdb59181566895807323108f5b51cf43107a17eac25"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/UMFSPCNPPRRDXTBP5NWN6ZYEJ7/bundle.json","state_url":"https://pith.science/pith/UMFSPCNPPRRDXTBP5NWN6ZYEJ7/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/UMFSPCNPPRRDXTBP5NWN6ZYEJ7/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":"2026-08-09T15:44:06Z","links":{"resolver":"https://pith.science/pith/UMFSPCNPPRRDXTBP5NWN6ZYEJ7","bundle":"https://pith.science/pith/UMFSPCNPPRRDXTBP5NWN6ZYEJ7/bundle.json","state":"https://pith.science/pith/UMFSPCNPPRRDXTBP5NWN6ZYEJ7/state.json","well_known_bundle":"https://pith.science/.well-known/pith/UMFSPCNPPRRDXTBP5NWN6ZYEJ7/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2026:UMFSPCNPPRRDXTBP5NWN6ZYEJ7","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":"689090807ada68caa41d0a76c119cca651f740dd05f9336c73a19f34789e84c6","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2026-07-24T14:14:42Z","title_canon_sha256":"f40474ad1e3d691f4c1b29daa2f1f008df4990abe99eccccc0bfbc78a9971de5"},"schema_version":"1.0","source":{"id":"2607.22338","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2607.22338","created_at":"2026-07-27T01:21:03Z"},{"alias_kind":"arxiv_version","alias_value":"2607.22338v1","created_at":"2026-07-27T01:21:03Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2607.22338","created_at":"2026-07-27T01:21:03Z"},{"alias_kind":"pith_short_12","alias_value":"UMFSPCNPPRRD","created_at":"2026-07-27T01:21:03Z"},{"alias_kind":"pith_short_16","alias_value":"UMFSPCNPPRRDXTBP","created_at":"2026-07-27T01:21:03Z"},{"alias_kind":"pith_short_8","alias_value":"UMFSPCNP","created_at":"2026-07-27T01:21:03Z"}],"graph_snapshots":[{"event_id":"sha256:f5bf51d97d6b6d4804ce6bdb59181566895807323108f5b51cf43107a17eac25","target":"graph","created_at":"2026-07-27T01:21:03Z","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/2607.22338/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"Free energy calculations are routinely used to study molecular processes inaccessible to unbiased molecular dynamics, but their utility ultimately depends on knowing when and how much their predictions can be trusted. Uncertainty estimation is therefore essential for distinguishing genuine physical features of a free energy profile from artifacts arising from limited simulation data or inadequate sampling. Gaussian processes have emerged as a powerful framework for reconstructing free energy profiles together with predictive uncertainties. However, existing implementations typically condition ","authors_text":"Adam Gottfried, Brennon L. Shanks, Katarina Baxova, Martin Skorna, Pavel Jungwirth, Zuzana Janackova","cross_cats":[],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2026-07-24T14:14:42Z","title":"Uncertainty Quantification for Free Energy Calculations by Generalized Hierarchical Bayesian Inference"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2607.22338","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:a46531e54197c7a3d3c201fd0cdcadce6d63e205b4f172a4183e12d2ab04a97d","target":"record","created_at":"2026-07-27T01:21:03Z","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":"689090807ada68caa41d0a76c119cca651f740dd05f9336c73a19f34789e84c6","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2026-07-24T14:14:42Z","title_canon_sha256":"f40474ad1e3d691f4c1b29daa2f1f008df4990abe99eccccc0bfbc78a9971de5"},"schema_version":"1.0","source":{"id":"2607.22338","kind":"arxiv","version":1}},"canonical_sha256":"a30b2789af7c623bcc2feb6cdf67044ff3bf2bbfc9189c7143e08ebfd3da0394","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"a30b2789af7c623bcc2feb6cdf67044ff3bf2bbfc9189c7143e08ebfd3da0394","first_computed_at":"2026-07-27T01:21:03.582971Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-27T01:21:03.582971Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"tNnxPLLC5/8c7eNCsnk0o8m9uc+JfpMsIOzw5tZTTWLzfYDFU85+hIPCxZd8SFV31JnWM0OxgJ64khAaa8HdAQ==","signature_status":"signed_v1","signed_at":"2026-07-27T01:21:03.583822Z","signed_message":"canonical_sha256_bytes"},"source_id":"2607.22338","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:a46531e54197c7a3d3c201fd0cdcadce6d63e205b4f172a4183e12d2ab04a97d","sha256:f5bf51d97d6b6d4804ce6bdb59181566895807323108f5b51cf43107a17eac25"],"state_sha256":"c0b20915544953ecdba46a842d32fc509b09d6d8ee3fc8559c71aa971c8d1675"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"nDXU3Pv5z1MHcWLWFlnulB3sXg2f2rQjHQ+jz7zpsrJNdB/b8YAu2UCYKXYLnEqkeYf3LizvYWn4qCenKAbpAQ==","signed_message":"bundle_sha256_bytes","signed_at":"2026-08-09T15:44:06.840812Z","bundle_sha256":"37bb65ca58554cb25cf8ad9aa6b46d8161a9953b64ae3f3412b369f197aef539"}}