{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2025:U7ZZL5GK7KKWXFPQNQDQ252TA6","short_pith_number":"pith:U7ZZL5GK","canonical_record":{"source":{"id":"2501.05250","kind":"arxiv","version":2},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.comp-ph","submitted_at":"2025-01-09T14:01:36Z","cross_cats_sorted":["physics.chem-ph"],"title_canon_sha256":"cfa09e4edb7664cc652b542e548e09370fa7545f242fa77214dbb9f20d2cc734","abstract_canon_sha256":"375c3d40f43ec99fe72facc52dd37839520364d520670c6e9f901e814d61c6e1"},"schema_version":"1.0"},"canonical_sha256":"a7f395f4cafa956b95f06c070d775307b9c2318a0f901418ab5afa7d383c477d","source":{"kind":"arxiv","id":"2501.05250","version":2},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2501.05250","created_at":"2026-07-05T09:59:23Z"},{"alias_kind":"arxiv_version","alias_value":"2501.05250v2","created_at":"2026-07-05T09:59:23Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2501.05250","created_at":"2026-07-05T09:59:23Z"},{"alias_kind":"pith_short_12","alias_value":"U7ZZL5GK7KKW","created_at":"2026-07-05T09:59:23Z"},{"alias_kind":"pith_short_16","alias_value":"U7ZZL5GK7KKWXFPQ","created_at":"2026-07-05T09:59:23Z"},{"alias_kind":"pith_short_8","alias_value":"U7ZZL5GK","created_at":"2026-07-05T09:59:23Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2025:U7ZZL5GK7KKWXFPQNQDQ252TA6","target":"record","payload":{"canonical_record":{"source":{"id":"2501.05250","kind":"arxiv","version":2},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.comp-ph","submitted_at":"2025-01-09T14:01:36Z","cross_cats_sorted":["physics.chem-ph"],"title_canon_sha256":"cfa09e4edb7664cc652b542e548e09370fa7545f242fa77214dbb9f20d2cc734","abstract_canon_sha256":"375c3d40f43ec99fe72facc52dd37839520364d520670c6e9f901e814d61c6e1"},"schema_version":"1.0"},"canonical_sha256":"a7f395f4cafa956b95f06c070d775307b9c2318a0f901418ab5afa7d383c477d","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T09:59:23.372381Z","signature_b64":"/p6oJFFyiczC45mNoizpgwTGtjd/QzRb0vAC1TrB9qN3sQpKw/lPksydfOiU/OXTja+Zg82hxSix0E2531I6CA==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"a7f395f4cafa956b95f06c070d775307b9c2318a0f901418ab5afa7d383c477d","last_reissued_at":"2026-07-05T09:59:23.371852Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T09:59:23.371852Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2501.05250","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":"2026-07-05T09:59:23Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"i8kfCNaE/h33xcGvHODcgC2pUbc2zCVCftFFHdsw7JDkpGdWZLYAjZSuCr4KPKSGxZMkLXHMSDQAYndZfCv5Cw==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-14T08:25:29.862059Z"},"content_sha256":"814d3b657442b8afcb49c97ae7363e94039383644406c7bd110e716a61f87f37","schema_version":"1.0","event_id":"sha256:814d3b657442b8afcb49c97ae7363e94039383644406c7bd110e716a61f87f37"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2025:U7ZZL5GK7KKWXFPQNQDQ252TA6","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Providing Machine Learning Potentials with High Quality Uncertainty Estimates","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":["physics.chem-ph"],"primary_cat":"physics.comp-ph","authors_text":"Clyde Fare, David Bray, Edward Pyzer-Knapp, James L. McDonagh, Ravikanth Tadikonda, Viktor Zolyomi, Zeynep Sumer","submitted_at":"2025-01-09T14:01:36Z","abstract_excerpt":"Computational chemistry has come a long way over the course of several decades, enabling subatomic level calculations particularly with the development of Density Functional Theory (DFT). Recently, machine-learned potentials (MLP) have provided a way to overcome the prevalent time and length scale constraints in such calculations. Unfortunately, these models utilise complex and high dimensional representations, making it challenging for users to intuit performance from chemical structure, which has motivated the development of methods for uncertainty quantification. One of the most common meth"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2501.05250","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/2501.05250/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":"2026-07-05T09:59:23Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"o92E/JaDM2lDWQmvEjCv/UBQ2pofM2waLOQi+V+iIJtX8bfzDymLagd8BLyHyszkDFlznQy40DnozmZWf+dPBw==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-14T08:25:29.862706Z"},"content_sha256":"683cd74c4b78b53dc20d42e7203f3f02e7e345c586c7b7313513297a786f24de","schema_version":"1.0","event_id":"sha256:683cd74c4b78b53dc20d42e7203f3f02e7e345c586c7b7313513297a786f24de"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/U7ZZL5GK7KKWXFPQNQDQ252TA6/bundle.json","state_url":"https://pith.science/pith/U7ZZL5GK7KKWXFPQNQDQ252TA6/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/U7ZZL5GK7KKWXFPQNQDQ252TA6/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":"2026-08-14T08:25:29Z","links":{"resolver":"https://pith.science/pith/U7ZZL5GK7KKWXFPQNQDQ252TA6","bundle":"https://pith.science/pith/U7ZZL5GK7KKWXFPQNQDQ252TA6/bundle.json","state":"https://pith.science/pith/U7ZZL5GK7KKWXFPQNQDQ252TA6/state.json","well_known_bundle":"https://pith.science/.well-known/pith/U7ZZL5GK7KKWXFPQNQDQ252TA6/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2025:U7ZZL5GK7KKWXFPQNQDQ252TA6","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":"375c3d40f43ec99fe72facc52dd37839520364d520670c6e9f901e814d61c6e1","cross_cats_sorted":["physics.chem-ph"],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.comp-ph","submitted_at":"2025-01-09T14:01:36Z","title_canon_sha256":"cfa09e4edb7664cc652b542e548e09370fa7545f242fa77214dbb9f20d2cc734"},"schema_version":"1.0","source":{"id":"2501.05250","kind":"arxiv","version":2}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2501.05250","created_at":"2026-07-05T09:59:23Z"},{"alias_kind":"arxiv_version","alias_value":"2501.05250v2","created_at":"2026-07-05T09:59:23Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2501.05250","created_at":"2026-07-05T09:59:23Z"},{"alias_kind":"pith_short_12","alias_value":"U7ZZL5GK7KKW","created_at":"2026-07-05T09:59:23Z"},{"alias_kind":"pith_short_16","alias_value":"U7ZZL5GK7KKWXFPQ","created_at":"2026-07-05T09:59:23Z"},{"alias_kind":"pith_short_8","alias_value":"U7ZZL5GK","created_at":"2026-07-05T09:59:23Z"}],"graph_snapshots":[{"event_id":"sha256:683cd74c4b78b53dc20d42e7203f3f02e7e345c586c7b7313513297a786f24de","target":"graph","created_at":"2026-07-05T09:59:23Z","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/2501.05250/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"Computational chemistry has come a long way over the course of several decades, enabling subatomic level calculations particularly with the development of Density Functional Theory (DFT). Recently, machine-learned potentials (MLP) have provided a way to overcome the prevalent time and length scale constraints in such calculations. Unfortunately, these models utilise complex and high dimensional representations, making it challenging for users to intuit performance from chemical structure, which has motivated the development of methods for uncertainty quantification. One of the most common meth","authors_text":"Clyde Fare, David Bray, Edward Pyzer-Knapp, James L. McDonagh, Ravikanth Tadikonda, Viktor Zolyomi, Zeynep Sumer","cross_cats":["physics.chem-ph"],"headline":"","license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.comp-ph","submitted_at":"2025-01-09T14:01:36Z","title":"Providing Machine Learning Potentials with High Quality Uncertainty Estimates"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2501.05250","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":"sha256:814d3b657442b8afcb49c97ae7363e94039383644406c7bd110e716a61f87f37","target":"record","created_at":"2026-07-05T09:59:23Z","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":"375c3d40f43ec99fe72facc52dd37839520364d520670c6e9f901e814d61c6e1","cross_cats_sorted":["physics.chem-ph"],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.comp-ph","submitted_at":"2025-01-09T14:01:36Z","title_canon_sha256":"cfa09e4edb7664cc652b542e548e09370fa7545f242fa77214dbb9f20d2cc734"},"schema_version":"1.0","source":{"id":"2501.05250","kind":"arxiv","version":2}},"canonical_sha256":"a7f395f4cafa956b95f06c070d775307b9c2318a0f901418ab5afa7d383c477d","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"a7f395f4cafa956b95f06c070d775307b9c2318a0f901418ab5afa7d383c477d","first_computed_at":"2026-07-05T09:59:23.371852Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T09:59:23.371852Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"/p6oJFFyiczC45mNoizpgwTGtjd/QzRb0vAC1TrB9qN3sQpKw/lPksydfOiU/OXTja+Zg82hxSix0E2531I6CA==","signature_status":"signed_v1","signed_at":"2026-07-05T09:59:23.372381Z","signed_message":"canonical_sha256_bytes"},"source_id":"2501.05250","source_kind":"arxiv","source_version":2}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:814d3b657442b8afcb49c97ae7363e94039383644406c7bd110e716a61f87f37","sha256:683cd74c4b78b53dc20d42e7203f3f02e7e345c586c7b7313513297a786f24de"],"state_sha256":"26f0cb54489e1ca1fdd252235da99f760cacd5247d0b3ead1da039127dc3c8f0"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"JYRXE8FvAtaKsjNpRqWljOOn0UqaEQDBhZAdjGNxiNsqJyBRZdMOry1/IYZCLnNPoTjFYXELYCMbrfkmguDlCA==","signed_message":"bundle_sha256_bytes","signed_at":"2026-08-14T08:25:29.868537Z","bundle_sha256":"f4fbb67f7171b4390700bf03f24dc78e9d368976f9c55c865fe1b7fc811587b5"}}