{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2026:PY4MWKDFDRI4BGMRP5VVOZRQ27","short_pith_number":"pith:PY4MWKDF","canonical_record":{"source":{"id":"2606.18495","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2026-06-16T21:08:15Z","cross_cats_sorted":["physics.bio-ph","physics.comp-ph","q-bio.BM"],"title_canon_sha256":"1d844354d9f7bfc79ab37cbceffce325225d017e3114efc38248105890cdfe5f","abstract_canon_sha256":"831e493fa94743a510b81b2bab2649f0191bbba7bcdba3681e2747a470a46b30"},"schema_version":"1.0"},"canonical_sha256":"7e38cb28651c51c099917f6b576630d7ee67315560b80e8cd245592c3c925a50","source":{"kind":"arxiv","id":"2606.18495","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2606.18495","created_at":"2026-06-19T16:11:02Z"},{"alias_kind":"arxiv_version","alias_value":"2606.18495v1","created_at":"2026-06-19T16:11:02Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2606.18495","created_at":"2026-06-19T16:11:02Z"},{"alias_kind":"pith_short_12","alias_value":"PY4MWKDFDRI4","created_at":"2026-06-19T16:11:02Z"},{"alias_kind":"pith_short_16","alias_value":"PY4MWKDFDRI4BGMR","created_at":"2026-06-19T16:11:02Z"},{"alias_kind":"pith_short_8","alias_value":"PY4MWKDF","created_at":"2026-06-19T16:11:02Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2026:PY4MWKDFDRI4BGMRP5VVOZRQ27","target":"record","payload":{"canonical_record":{"source":{"id":"2606.18495","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2026-06-16T21:08:15Z","cross_cats_sorted":["physics.bio-ph","physics.comp-ph","q-bio.BM"],"title_canon_sha256":"1d844354d9f7bfc79ab37cbceffce325225d017e3114efc38248105890cdfe5f","abstract_canon_sha256":"831e493fa94743a510b81b2bab2649f0191bbba7bcdba3681e2747a470a46b30"},"schema_version":"1.0"},"canonical_sha256":"7e38cb28651c51c099917f6b576630d7ee67315560b80e8cd245592c3c925a50","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-06-19T16:11:02.455233Z","signature_b64":"iFYGCBQO7eaQoicxSlLqxAdiRO9Tb2G6LUkS8UufxjK1oNt+dEPs0QIwJhr7TXxrMy9KX+CycjOg9YK7drBAAQ==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"7e38cb28651c51c099917f6b576630d7ee67315560b80e8cd245592c3c925a50","last_reissued_at":"2026-06-19T16:11:02.454895Z","signature_status":"signed_v1","first_computed_at":"2026-06-19T16:11:02.454895Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2606.18495","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":"2026-06-19T16:11:02Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"uC2AhsgEz/YNnXOTY4ko+0kWYsteSajJiWYTN4ibNJRY6yeSEk3ww7gPibjdi0Wpzr7kfJ2UcSxAMqtHUmIYAw==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-06-27T13:29:33.850363Z"},"content_sha256":"7db5e93142ac8ced8c920bc04f13d87b60dfce324a73a62e2a3d20161b048098","schema_version":"1.0","event_id":"sha256:7db5e93142ac8ced8c920bc04f13d87b60dfce324a73a62e2a3d20161b048098"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2026:PY4MWKDFDRI4BGMRP5VVOZRQ27","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Bayesian Sampling of Structural Ensembles: The Role of Ensemble-Counting Measures","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["physics.bio-ph","physics.comp-ph","q-bio.BM"],"primary_cat":"physics.chem-ph","authors_text":"Giovanni Bussi, Ivan Gilardoni","submitted_at":"2026-06-16T21:08:15Z","abstract_excerpt":"Structural ensemble refinement is widely used to integrate molecular simulations with experimental measurements. While most applications focus on the maximum-a-posteriori (MAP) ensemble, Bayesian sampling of the posterior distribution can provide uncertainty estimates and posterior averages for arbitrary observables. A notable step in this direction was introduced by the Bayesian Energy Landscape Tilting (BELT) framework, where sampling is performed on a family of maximum-entropy ensembles parametrized by Lagrange multipliers. Here, we show that Bayesian sampling in this setting requires an ex"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2606.18495","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/2606.18495/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":"2026-06-19T16:11:02Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"eNzfqMQd7Z3NeWRQ8dSpj5s3rLBj9YMOIXXodF+44aQ0pqzzKrhkrdaJQcCT3yMQsmCcxbPzJHDQw6cJtVwlDw==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-06-27T13:29:33.850767Z"},"content_sha256":"c5e21b6a0f2cdd977b849c10b8fb70a9218ebc9f169e6a2ce368b8ac81c80068","schema_version":"1.0","event_id":"sha256:c5e21b6a0f2cdd977b849c10b8fb70a9218ebc9f169e6a2ce368b8ac81c80068"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/PY4MWKDFDRI4BGMRP5VVOZRQ27/bundle.json","state_url":"https://pith.science/pith/PY4MWKDFDRI4BGMRP5VVOZRQ27/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/PY4MWKDFDRI4BGMRP5VVOZRQ27/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":"2026-06-27T13:29:33Z","links":{"resolver":"https://pith.science/pith/PY4MWKDFDRI4BGMRP5VVOZRQ27","bundle":"https://pith.science/pith/PY4MWKDFDRI4BGMRP5VVOZRQ27/bundle.json","state":"https://pith.science/pith/PY4MWKDFDRI4BGMRP5VVOZRQ27/state.json","well_known_bundle":"https://pith.science/.well-known/pith/PY4MWKDFDRI4BGMRP5VVOZRQ27/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2026:PY4MWKDFDRI4BGMRP5VVOZRQ27","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":"831e493fa94743a510b81b2bab2649f0191bbba7bcdba3681e2747a470a46b30","cross_cats_sorted":["physics.bio-ph","physics.comp-ph","q-bio.BM"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2026-06-16T21:08:15Z","title_canon_sha256":"1d844354d9f7bfc79ab37cbceffce325225d017e3114efc38248105890cdfe5f"},"schema_version":"1.0","source":{"id":"2606.18495","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2606.18495","created_at":"2026-06-19T16:11:02Z"},{"alias_kind":"arxiv_version","alias_value":"2606.18495v1","created_at":"2026-06-19T16:11:02Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2606.18495","created_at":"2026-06-19T16:11:02Z"},{"alias_kind":"pith_short_12","alias_value":"PY4MWKDFDRI4","created_at":"2026-06-19T16:11:02Z"},{"alias_kind":"pith_short_16","alias_value":"PY4MWKDFDRI4BGMR","created_at":"2026-06-19T16:11:02Z"},{"alias_kind":"pith_short_8","alias_value":"PY4MWKDF","created_at":"2026-06-19T16:11:02Z"}],"graph_snapshots":[{"event_id":"sha256:c5e21b6a0f2cdd977b849c10b8fb70a9218ebc9f169e6a2ce368b8ac81c80068","target":"graph","created_at":"2026-06-19T16:11:02Z","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/2606.18495/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"Structural ensemble refinement is widely used to integrate molecular simulations with experimental measurements. While most applications focus on the maximum-a-posteriori (MAP) ensemble, Bayesian sampling of the posterior distribution can provide uncertainty estimates and posterior averages for arbitrary observables. A notable step in this direction was introduced by the Bayesian Energy Landscape Tilting (BELT) framework, where sampling is performed on a family of maximum-entropy ensembles parametrized by Lagrange multipliers. Here, we show that Bayesian sampling in this setting requires an ex","authors_text":"Giovanni Bussi, Ivan Gilardoni","cross_cats":["physics.bio-ph","physics.comp-ph","q-bio.BM"],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2026-06-16T21:08:15Z","title":"Bayesian Sampling of Structural Ensembles: The Role of Ensemble-Counting Measures"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2606.18495","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":"sha256:7db5e93142ac8ced8c920bc04f13d87b60dfce324a73a62e2a3d20161b048098","target":"record","created_at":"2026-06-19T16:11:02Z","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":"831e493fa94743a510b81b2bab2649f0191bbba7bcdba3681e2747a470a46b30","cross_cats_sorted":["physics.bio-ph","physics.comp-ph","q-bio.BM"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2026-06-16T21:08:15Z","title_canon_sha256":"1d844354d9f7bfc79ab37cbceffce325225d017e3114efc38248105890cdfe5f"},"schema_version":"1.0","source":{"id":"2606.18495","kind":"arxiv","version":1}},"canonical_sha256":"7e38cb28651c51c099917f6b576630d7ee67315560b80e8cd245592c3c925a50","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"7e38cb28651c51c099917f6b576630d7ee67315560b80e8cd245592c3c925a50","first_computed_at":"2026-06-19T16:11:02.454895Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-06-19T16:11:02.454895Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"iFYGCBQO7eaQoicxSlLqxAdiRO9Tb2G6LUkS8UufxjK1oNt+dEPs0QIwJhr7TXxrMy9KX+CycjOg9YK7drBAAQ==","signature_status":"signed_v1","signed_at":"2026-06-19T16:11:02.455233Z","signed_message":"canonical_sha256_bytes"},"source_id":"2606.18495","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:7db5e93142ac8ced8c920bc04f13d87b60dfce324a73a62e2a3d20161b048098","sha256:c5e21b6a0f2cdd977b849c10b8fb70a9218ebc9f169e6a2ce368b8ac81c80068"],"state_sha256":"e8740678a0c75d962a37b430e0c658b64058873b1c6d4ec90e628e8082e88315"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"I1aAsVB9hC9qmGUpXFI4XmcFpIPxBaU2zj4uHZs7gaiAp1rIS7Dy/vk6dIy5gSiQ0ZiFX3Q0ggRnNY4viSKYAQ==","signed_message":"bundle_sha256_bytes","signed_at":"2026-06-27T13:29:33.852856Z","bundle_sha256":"6092e250eda24d68f3da62689ce5264e39b1a5c236a94da95757f0b7c967fc54"}}