{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2024:6G2YL7W3IYPCELPWVSY7QB3U7C","short_pith_number":"pith:6G2YL7W3","canonical_record":{"source":{"id":"2411.10075","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2024-11-15T09:43:01Z","cross_cats_sorted":[],"title_canon_sha256":"15413c0913cd4d9a745337b45fd6008ae25def85d5fa4a3d32069d87415ae675","abstract_canon_sha256":"bfb85b7978e4a765eb89ad4bd7c0f0ba6ebacf2ad7e5dc480c03e26e559284b9"},"schema_version":"1.0"},"canonical_sha256":"f1b585fedb461e222df6acb1f80774f8a605973b01dcc12e23755b8c2157a39c","source":{"kind":"arxiv","id":"2411.10075","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2411.10075","created_at":"2026-07-05T09:35:58Z"},{"alias_kind":"arxiv_version","alias_value":"2411.10075v1","created_at":"2026-07-05T09:35:58Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2411.10075","created_at":"2026-07-05T09:35:58Z"},{"alias_kind":"pith_short_12","alias_value":"6G2YL7W3IYPC","created_at":"2026-07-05T09:35:58Z"},{"alias_kind":"pith_short_16","alias_value":"6G2YL7W3IYPCELPW","created_at":"2026-07-05T09:35:58Z"},{"alias_kind":"pith_short_8","alias_value":"6G2YL7W3","created_at":"2026-07-05T09:35:58Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2024:6G2YL7W3IYPCELPWVSY7QB3U7C","target":"record","payload":{"canonical_record":{"source":{"id":"2411.10075","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2024-11-15T09:43:01Z","cross_cats_sorted":[],"title_canon_sha256":"15413c0913cd4d9a745337b45fd6008ae25def85d5fa4a3d32069d87415ae675","abstract_canon_sha256":"bfb85b7978e4a765eb89ad4bd7c0f0ba6ebacf2ad7e5dc480c03e26e559284b9"},"schema_version":"1.0"},"canonical_sha256":"f1b585fedb461e222df6acb1f80774f8a605973b01dcc12e23755b8c2157a39c","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T09:35:58.909699Z","signature_b64":"9RtOki51FeZ9qRLfL2oLTR8eVGU7fC4219NyvCcsCUp9kskakl2gHGDwQpFmXkiTRi0PZBcJu4oky/KjJSMmCQ==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"f1b585fedb461e222df6acb1f80774f8a605973b01dcc12e23755b8c2157a39c","last_reissued_at":"2026-07-05T09:35:58.909244Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T09:35:58.909244Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2411.10075","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":"2026-07-05T09:35:58Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"HzhkFBnEVDuI7cTJ4t2erOLc3qT4ZxsyLi5A1ylSIlEwOrPZGw/a7emc54a129ncJ+7/Z+scSWa1+SpOY5UDDA==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-18T19:13:03.058332Z"},"content_sha256":"54b44525d69020dfdc00360bc7cdf96747305cf84ca10c36079e9d501d51a747","schema_version":"1.0","event_id":"sha256:54b44525d69020dfdc00360bc7cdf96747305cf84ca10c36079e9d501d51a747"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2024:6G2YL7W3IYPCELPWVSY7QB3U7C","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Thermodynamic Interpolation: A generative approach to molecular thermodynamics and kinetics","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Feliks N\\\"uske, Mathias Schreiner, Selma Moqvist, Simon Olsson, Weilong Chen","submitted_at":"2024-11-15T09:43:01Z","abstract_excerpt":"Using normalizing flows and reweighting, Boltzmann Generators enable equilibrium sampling from a Boltzmann distribution, defined by an energy function and thermodynamic state. In this work, we introduce Thermodynamic Interpolation (TI), which allows for generating sampling statistics in a temperature-controllable way. We introduce TI flavors that work directly in the ambient configurational space, mapping between different thermodynamic states or through a latent, normally distributed reference state. Our ambient-space approach allows for the specification of arbitrary target temperatures, ens"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2411.10075","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/2411.10075/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":"2026-07-05T09:35:58Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"8H5LQYpoxqf9AflLxZKsaOIgybUzUA4nGvnBcf2uGgj/fVl6v+3ZQ7Dm7Cn9GuPvpEHNwlxTXQiDt0zMBS8TCQ==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-18T19:13:03.058943Z"},"content_sha256":"d9281970374838f0a95fa612ccda2573d6002127cae9680d70ff77a5f99e6d4f","schema_version":"1.0","event_id":"sha256:d9281970374838f0a95fa612ccda2573d6002127cae9680d70ff77a5f99e6d4f"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/6G2YL7W3IYPCELPWVSY7QB3U7C/bundle.json","state_url":"https://pith.science/pith/6G2YL7W3IYPCELPWVSY7QB3U7C/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/6G2YL7W3IYPCELPWVSY7QB3U7C/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":"2026-08-18T19:13:03Z","links":{"resolver":"https://pith.science/pith/6G2YL7W3IYPCELPWVSY7QB3U7C","bundle":"https://pith.science/pith/6G2YL7W3IYPCELPWVSY7QB3U7C/bundle.json","state":"https://pith.science/pith/6G2YL7W3IYPCELPWVSY7QB3U7C/state.json","well_known_bundle":"https://pith.science/.well-known/pith/6G2YL7W3IYPCELPWVSY7QB3U7C/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2024:6G2YL7W3IYPCELPWVSY7QB3U7C","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":"bfb85b7978e4a765eb89ad4bd7c0f0ba6ebacf2ad7e5dc480c03e26e559284b9","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2024-11-15T09:43:01Z","title_canon_sha256":"15413c0913cd4d9a745337b45fd6008ae25def85d5fa4a3d32069d87415ae675"},"schema_version":"1.0","source":{"id":"2411.10075","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2411.10075","created_at":"2026-07-05T09:35:58Z"},{"alias_kind":"arxiv_version","alias_value":"2411.10075v1","created_at":"2026-07-05T09:35:58Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2411.10075","created_at":"2026-07-05T09:35:58Z"},{"alias_kind":"pith_short_12","alias_value":"6G2YL7W3IYPC","created_at":"2026-07-05T09:35:58Z"},{"alias_kind":"pith_short_16","alias_value":"6G2YL7W3IYPCELPW","created_at":"2026-07-05T09:35:58Z"},{"alias_kind":"pith_short_8","alias_value":"6G2YL7W3","created_at":"2026-07-05T09:35:58Z"}],"graph_snapshots":[{"event_id":"sha256:d9281970374838f0a95fa612ccda2573d6002127cae9680d70ff77a5f99e6d4f","target":"graph","created_at":"2026-07-05T09:35:58Z","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/2411.10075/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"Using normalizing flows and reweighting, Boltzmann Generators enable equilibrium sampling from a Boltzmann distribution, defined by an energy function and thermodynamic state. In this work, we introduce Thermodynamic Interpolation (TI), which allows for generating sampling statistics in a temperature-controllable way. We introduce TI flavors that work directly in the ambient configurational space, mapping between different thermodynamic states or through a latent, normally distributed reference state. Our ambient-space approach allows for the specification of arbitrary target temperatures, ens","authors_text":"Feliks N\\\"uske, Mathias Schreiner, Selma Moqvist, Simon Olsson, Weilong Chen","cross_cats":[],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2024-11-15T09:43:01Z","title":"Thermodynamic Interpolation: A generative approach to molecular thermodynamics and kinetics"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2411.10075","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":"sha256:54b44525d69020dfdc00360bc7cdf96747305cf84ca10c36079e9d501d51a747","target":"record","created_at":"2026-07-05T09:35:58Z","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":"bfb85b7978e4a765eb89ad4bd7c0f0ba6ebacf2ad7e5dc480c03e26e559284b9","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2024-11-15T09:43:01Z","title_canon_sha256":"15413c0913cd4d9a745337b45fd6008ae25def85d5fa4a3d32069d87415ae675"},"schema_version":"1.0","source":{"id":"2411.10075","kind":"arxiv","version":1}},"canonical_sha256":"f1b585fedb461e222df6acb1f80774f8a605973b01dcc12e23755b8c2157a39c","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"f1b585fedb461e222df6acb1f80774f8a605973b01dcc12e23755b8c2157a39c","first_computed_at":"2026-07-05T09:35:58.909244Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T09:35:58.909244Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"9RtOki51FeZ9qRLfL2oLTR8eVGU7fC4219NyvCcsCUp9kskakl2gHGDwQpFmXkiTRi0PZBcJu4oky/KjJSMmCQ==","signature_status":"signed_v1","signed_at":"2026-07-05T09:35:58.909699Z","signed_message":"canonical_sha256_bytes"},"source_id":"2411.10075","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:54b44525d69020dfdc00360bc7cdf96747305cf84ca10c36079e9d501d51a747","sha256:d9281970374838f0a95fa612ccda2573d6002127cae9680d70ff77a5f99e6d4f"],"state_sha256":"a68466a41c2aebf710a95593502f6a423ae8d95be8c0c14d4c0a590f50c375af"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"aVfo0XT2VK6waSnLPlRzfReR4/AsZVGJ/2HNqCRY25l5zHXT0X+nUWGnYvRgxtgNSZzz55SOnZ/k/0eY02M1Bg==","signed_message":"bundle_sha256_bytes","signed_at":"2026-08-18T19:13:03.062996Z","bundle_sha256":"f18bb7def27bb00edc9abc265f2dd5f391d42cc1898bc25ad12dc504f116f9fd"}}