{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2025:2F4WIFWB5WT24KVRRJVTJFOAL5","short_pith_number":"pith:2F4WIFWB","canonical_record":{"source":{"id":"2501.19077","kind":"arxiv","version":2},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cs.LG","submitted_at":"2025-01-31T12:09:40Z","cross_cats_sorted":[],"title_canon_sha256":"2fb7d34247c7c0779096b28510d7f239abc93cce1c7ab6ed929bc9bd66ac1ef8","abstract_canon_sha256":"9fc851eff455ca73b180fea62404010df153656c13990a34a1442cb2ff136628"},"schema_version":"1.0"},"canonical_sha256":"d1796416c1eda7ae2ab18a6b3495c05f5dabafbf84b3167bdf95efe45f5d91ca","source":{"kind":"arxiv","id":"2501.19077","version":2},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2501.19077","created_at":"2026-07-05T11:22:36Z"},{"alias_kind":"arxiv_version","alias_value":"2501.19077v2","created_at":"2026-07-05T11:22:36Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2501.19077","created_at":"2026-07-05T11:22:36Z"},{"alias_kind":"pith_short_12","alias_value":"2F4WIFWB5WT2","created_at":"2026-07-05T11:22:36Z"},{"alias_kind":"pith_short_16","alias_value":"2F4WIFWB5WT24KVR","created_at":"2026-07-05T11:22:36Z"},{"alias_kind":"pith_short_8","alias_value":"2F4WIFWB","created_at":"2026-07-05T11:22:36Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2025:2F4WIFWB5WT24KVRRJVTJFOAL5","target":"record","payload":{"canonical_record":{"source":{"id":"2501.19077","kind":"arxiv","version":2},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cs.LG","submitted_at":"2025-01-31T12:09:40Z","cross_cats_sorted":[],"title_canon_sha256":"2fb7d34247c7c0779096b28510d7f239abc93cce1c7ab6ed929bc9bd66ac1ef8","abstract_canon_sha256":"9fc851eff455ca73b180fea62404010df153656c13990a34a1442cb2ff136628"},"schema_version":"1.0"},"canonical_sha256":"d1796416c1eda7ae2ab18a6b3495c05f5dabafbf84b3167bdf95efe45f5d91ca","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T11:22:36.195056Z","signature_b64":"gQXXYY69WTQ0iZW7MGZwUDINL7BJ/vwxvDjQ43MryOzXqlyJDL3/dklf0TVXHb0Cz8mBSotULydKAFjg1nK2Dw==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"d1796416c1eda7ae2ab18a6b3495c05f5dabafbf84b3167bdf95efe45f5d91ca","last_reissued_at":"2026-07-05T11:22:36.194566Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T11:22:36.194566Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2501.19077","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":"2026-07-05T11:22:36Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"V+Pv3aSQSUI9ziZr/iFnjzed51vNnp+AmmfQgLsy0Ni3wPLm6oTGJi6dnn6EtW16vwOAcDWswAEP3eUHrg6kCw==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-07-10T11:41:29.883982Z"},"content_sha256":"c99c482f9f7d7ea87bf7a953870b71ce4811dd9b833d1be111372080b9a23916","schema_version":"1.0","event_id":"sha256:c99c482f9f7d7ea87bf7a953870b71ce4811dd9b833d1be111372080b9a23916"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2025:2F4WIFWB5WT24KVRRJVTJFOAL5","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Temperature-Annealed Boltzmann Generators","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":[],"primary_cat":"cs.LG","authors_text":"Henrik Schopmans, Pascal Friederich","submitted_at":"2025-01-31T12:09:40Z","abstract_excerpt":"Efficient sampling of unnormalized probability densities such as the Boltzmann distribution of molecular systems is a longstanding challenge. Next to conventional approaches like molecular dynamics or Markov chain Monte Carlo, variational approaches, such as training normalizing flows with the reverse Kullback-Leibler divergence, have been introduced. However, such methods are prone to mode collapse and often do not learn to sample the full configurational space. Here, we present temperature-annealed Boltzmann generators (TA-BG) to address this challenge. First, we demonstrate that training a "},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2501.19077","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/2501.19077/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":"2026-07-05T11:22:36Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"FYKCP1ocukdZQlUPfx3c1jMTkkfQuX7Kip3qCofVAGR5x29p8qaE27PbNJQ0wktTaMI5R4HcPMOTeMju/fn4Cg==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-07-10T11:41:29.884368Z"},"content_sha256":"8d2d370c9bf55ce9dab2bdf41ec06949b0500c170107531884c0893e30c02acb","schema_version":"1.0","event_id":"sha256:8d2d370c9bf55ce9dab2bdf41ec06949b0500c170107531884c0893e30c02acb"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/2F4WIFWB5WT24KVRRJVTJFOAL5/bundle.json","state_url":"https://pith.science/pith/2F4WIFWB5WT24KVRRJVTJFOAL5/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/2F4WIFWB5WT24KVRRJVTJFOAL5/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":"2026-07-10T11:41:29Z","links":{"resolver":"https://pith.science/pith/2F4WIFWB5WT24KVRRJVTJFOAL5","bundle":"https://pith.science/pith/2F4WIFWB5WT24KVRRJVTJFOAL5/bundle.json","state":"https://pith.science/pith/2F4WIFWB5WT24KVRRJVTJFOAL5/state.json","well_known_bundle":"https://pith.science/.well-known/pith/2F4WIFWB5WT24KVRRJVTJFOAL5/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2025:2F4WIFWB5WT24KVRRJVTJFOAL5","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":"9fc851eff455ca73b180fea62404010df153656c13990a34a1442cb2ff136628","cross_cats_sorted":[],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cs.LG","submitted_at":"2025-01-31T12:09:40Z","title_canon_sha256":"2fb7d34247c7c0779096b28510d7f239abc93cce1c7ab6ed929bc9bd66ac1ef8"},"schema_version":"1.0","source":{"id":"2501.19077","kind":"arxiv","version":2}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2501.19077","created_at":"2026-07-05T11:22:36Z"},{"alias_kind":"arxiv_version","alias_value":"2501.19077v2","created_at":"2026-07-05T11:22:36Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2501.19077","created_at":"2026-07-05T11:22:36Z"},{"alias_kind":"pith_short_12","alias_value":"2F4WIFWB5WT2","created_at":"2026-07-05T11:22:36Z"},{"alias_kind":"pith_short_16","alias_value":"2F4WIFWB5WT24KVR","created_at":"2026-07-05T11:22:36Z"},{"alias_kind":"pith_short_8","alias_value":"2F4WIFWB","created_at":"2026-07-05T11:22:36Z"}],"graph_snapshots":[{"event_id":"sha256:8d2d370c9bf55ce9dab2bdf41ec06949b0500c170107531884c0893e30c02acb","target":"graph","created_at":"2026-07-05T11:22:36Z","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/2501.19077/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"Efficient sampling of unnormalized probability densities such as the Boltzmann distribution of molecular systems is a longstanding challenge. Next to conventional approaches like molecular dynamics or Markov chain Monte Carlo, variational approaches, such as training normalizing flows with the reverse Kullback-Leibler divergence, have been introduced. However, such methods are prone to mode collapse and often do not learn to sample the full configurational space. Here, we present temperature-annealed Boltzmann generators (TA-BG) to address this challenge. First, we demonstrate that training a ","authors_text":"Henrik Schopmans, Pascal Friederich","cross_cats":[],"headline":"","license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cs.LG","submitted_at":"2025-01-31T12:09:40Z","title":"Temperature-Annealed Boltzmann Generators"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2501.19077","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:c99c482f9f7d7ea87bf7a953870b71ce4811dd9b833d1be111372080b9a23916","target":"record","created_at":"2026-07-05T11:22:36Z","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":"9fc851eff455ca73b180fea62404010df153656c13990a34a1442cb2ff136628","cross_cats_sorted":[],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cs.LG","submitted_at":"2025-01-31T12:09:40Z","title_canon_sha256":"2fb7d34247c7c0779096b28510d7f239abc93cce1c7ab6ed929bc9bd66ac1ef8"},"schema_version":"1.0","source":{"id":"2501.19077","kind":"arxiv","version":2}},"canonical_sha256":"d1796416c1eda7ae2ab18a6b3495c05f5dabafbf84b3167bdf95efe45f5d91ca","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"d1796416c1eda7ae2ab18a6b3495c05f5dabafbf84b3167bdf95efe45f5d91ca","first_computed_at":"2026-07-05T11:22:36.194566Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T11:22:36.194566Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"gQXXYY69WTQ0iZW7MGZwUDINL7BJ/vwxvDjQ43MryOzXqlyJDL3/dklf0TVXHb0Cz8mBSotULydKAFjg1nK2Dw==","signature_status":"signed_v1","signed_at":"2026-07-05T11:22:36.195056Z","signed_message":"canonical_sha256_bytes"},"source_id":"2501.19077","source_kind":"arxiv","source_version":2}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:c99c482f9f7d7ea87bf7a953870b71ce4811dd9b833d1be111372080b9a23916","sha256:8d2d370c9bf55ce9dab2bdf41ec06949b0500c170107531884c0893e30c02acb"],"state_sha256":"ec57aba0619e8358f7a96de0133cce545e47b1aa830bb264be22d400d1917e8b"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"Ry2QLb97b713yTUh0psf4K+jnRZRynLhefadU+TaR1wV6//giprqROT4JjKfqI1mB5Ok4wig2mhaGk25QKYrCw==","signed_message":"bundle_sha256_bytes","signed_at":"2026-07-10T11:41:29.886745Z","bundle_sha256":"7798fadc892e8de7bb8e1e6f246ff27e9db261476740bea4bb630c9f1fb9bb09"}}