{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2017:46CAJA3USS7NAROITUVXGX2QMB","short_pith_number":"pith:46CAJA3U","canonical_record":{"source":{"id":"1712.08417","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2017-12-22T12:16:55Z","cross_cats_sorted":[],"title_canon_sha256":"c8f6ba7a94b12f6ed9f5dfce3ac88fd99c68dacaaabfb567831ce14a8a516091","abstract_canon_sha256":"700354634519a1d089e0f293c89996d4bb97da469d9ae1331ecdcec756ab92b2"},"schema_version":"1.0"},"canonical_sha256":"e78404837494bed045c89d2b735f506071f9fbf24c892a66b2b7df1282bcee97","source":{"kind":"arxiv","id":"1712.08417","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1712.08417","created_at":"2026-05-18T00:18:14Z"},{"alias_kind":"arxiv_version","alias_value":"1712.08417v1","created_at":"2026-05-18T00:18:14Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1712.08417","created_at":"2026-05-18T00:18:14Z"},{"alias_kind":"pith_short_12","alias_value":"46CAJA3USS7N","created_at":"2026-05-18T12:30:58Z"},{"alias_kind":"pith_short_16","alias_value":"46CAJA3USS7NAROI","created_at":"2026-05-18T12:30:58Z"},{"alias_kind":"pith_short_8","alias_value":"46CAJA3U","created_at":"2026-05-18T12:30:58Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2017:46CAJA3USS7NAROITUVXGX2QMB","target":"record","payload":{"canonical_record":{"source":{"id":"1712.08417","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2017-12-22T12:16:55Z","cross_cats_sorted":[],"title_canon_sha256":"c8f6ba7a94b12f6ed9f5dfce3ac88fd99c68dacaaabfb567831ce14a8a516091","abstract_canon_sha256":"700354634519a1d089e0f293c89996d4bb97da469d9ae1331ecdcec756ab92b2"},"schema_version":"1.0"},"canonical_sha256":"e78404837494bed045c89d2b735f506071f9fbf24c892a66b2b7df1282bcee97","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-18T00:18:14.324042Z","signature_b64":"0RB/fTPl8n/0ilMzh2QecE8To/hcxE7nub0/b2kZeaNIe5eknX6/XAfbJFelWu2B5mGBPzyD+u5S6YDadb5dBQ==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"e78404837494bed045c89d2b735f506071f9fbf24c892a66b2b7df1282bcee97","last_reissued_at":"2026-05-18T00:18:14.323588Z","signature_status":"signed_v1","first_computed_at":"2026-05-18T00:18:14.323588Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"1712.08417","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":"2026-05-18T00:18:14Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"+y680Jul1g0DfxjHpLBFFJME6mltCt9y5+Dq7XB0EMjoqWBpzM4jCk2bqA392wXfZ2v+lW9/t3HCakxTSxlyAg==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-05-26T03:37:30.458672Z"},"content_sha256":"23974f7c9fd7377b4f7f9a7d6c664a440c17ca92047c880b6d49910b5334c918","schema_version":"1.0","event_id":"sha256:23974f7c9fd7377b4f7f9a7d6c664a440c17ca92047c880b6d49910b5334c918"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2017:46CAJA3USS7NAROITUVXGX2QMB","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Alchemical and structural distribution based representation for improved QML","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Anders S. Christensen, Bing Huang, Felix A. Faber, O. Anatole von Lilienfeld","submitted_at":"2017-12-22T12:16:55Z","abstract_excerpt":"We introduce a representation of any atom in any chemical environment for the generation of efficient quantum machine learning (QML) models of common electronic ground-state properties. The representation is based on scaled distribution functions explicitly accounting for elemental and structural degrees of freedom. Resulting QML models afford very favorable learning curves for properties of out-of-sample systems including organic molecules, non-covalently bonded protein side-chains, (H$_2$O)$_{40}$-clusters, as well as diverse crystals. The elemental components help to lower the learning curv"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1712.08417","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":""},"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":"2026-05-18T00:18:14Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"EHAv2mizK2Bt02AAwbupt7cOEjZR5WzHlJKJ8zeWurJzYu1O0xs3CK75rvF20I/Cc/tBQ7Ots0o2YzkFoTPtDw==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-05-26T03:37:30.459041Z"},"content_sha256":"82395c8c7c2f497a79d6585d3349963ad7298b4c76f8192445be664cf117e406","schema_version":"1.0","event_id":"sha256:82395c8c7c2f497a79d6585d3349963ad7298b4c76f8192445be664cf117e406"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/46CAJA3USS7NAROITUVXGX2QMB/bundle.json","state_url":"https://pith.science/pith/46CAJA3USS7NAROITUVXGX2QMB/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/46CAJA3USS7NAROITUVXGX2QMB/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":"2026-05-26T03:37:30Z","links":{"resolver":"https://pith.science/pith/46CAJA3USS7NAROITUVXGX2QMB","bundle":"https://pith.science/pith/46CAJA3USS7NAROITUVXGX2QMB/bundle.json","state":"https://pith.science/pith/46CAJA3USS7NAROITUVXGX2QMB/state.json","well_known_bundle":"https://pith.science/.well-known/pith/46CAJA3USS7NAROITUVXGX2QMB/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2017:46CAJA3USS7NAROITUVXGX2QMB","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":"700354634519a1d089e0f293c89996d4bb97da469d9ae1331ecdcec756ab92b2","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2017-12-22T12:16:55Z","title_canon_sha256":"c8f6ba7a94b12f6ed9f5dfce3ac88fd99c68dacaaabfb567831ce14a8a516091"},"schema_version":"1.0","source":{"id":"1712.08417","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1712.08417","created_at":"2026-05-18T00:18:14Z"},{"alias_kind":"arxiv_version","alias_value":"1712.08417v1","created_at":"2026-05-18T00:18:14Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1712.08417","created_at":"2026-05-18T00:18:14Z"},{"alias_kind":"pith_short_12","alias_value":"46CAJA3USS7N","created_at":"2026-05-18T12:30:58Z"},{"alias_kind":"pith_short_16","alias_value":"46CAJA3USS7NAROI","created_at":"2026-05-18T12:30:58Z"},{"alias_kind":"pith_short_8","alias_value":"46CAJA3U","created_at":"2026-05-18T12:30:58Z"}],"graph_snapshots":[{"event_id":"sha256:82395c8c7c2f497a79d6585d3349963ad7298b4c76f8192445be664cf117e406","target":"graph","created_at":"2026-05-18T00:18:14Z","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"},"paper":{"abstract_excerpt":"We introduce a representation of any atom in any chemical environment for the generation of efficient quantum machine learning (QML) models of common electronic ground-state properties. The representation is based on scaled distribution functions explicitly accounting for elemental and structural degrees of freedom. Resulting QML models afford very favorable learning curves for properties of out-of-sample systems including organic molecules, non-covalently bonded protein side-chains, (H$_2$O)$_{40}$-clusters, as well as diverse crystals. The elemental components help to lower the learning curv","authors_text":"Anders S. Christensen, Bing Huang, Felix A. Faber, O. Anatole von Lilienfeld","cross_cats":[],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2017-12-22T12:16:55Z","title":"Alchemical and structural distribution based representation for improved QML"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1712.08417","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":"sha256:23974f7c9fd7377b4f7f9a7d6c664a440c17ca92047c880b6d49910b5334c918","target":"record","created_at":"2026-05-18T00:18:14Z","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":"700354634519a1d089e0f293c89996d4bb97da469d9ae1331ecdcec756ab92b2","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2017-12-22T12:16:55Z","title_canon_sha256":"c8f6ba7a94b12f6ed9f5dfce3ac88fd99c68dacaaabfb567831ce14a8a516091"},"schema_version":"1.0","source":{"id":"1712.08417","kind":"arxiv","version":1}},"canonical_sha256":"e78404837494bed045c89d2b735f506071f9fbf24c892a66b2b7df1282bcee97","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"e78404837494bed045c89d2b735f506071f9fbf24c892a66b2b7df1282bcee97","first_computed_at":"2026-05-18T00:18:14.323588Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-18T00:18:14.323588Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"0RB/fTPl8n/0ilMzh2QecE8To/hcxE7nub0/b2kZeaNIe5eknX6/XAfbJFelWu2B5mGBPzyD+u5S6YDadb5dBQ==","signature_status":"signed_v1","signed_at":"2026-05-18T00:18:14.324042Z","signed_message":"canonical_sha256_bytes"},"source_id":"1712.08417","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:23974f7c9fd7377b4f7f9a7d6c664a440c17ca92047c880b6d49910b5334c918","sha256:82395c8c7c2f497a79d6585d3349963ad7298b4c76f8192445be664cf117e406"],"state_sha256":"ccb18be1a1ca1dca0cb6f45493a1aaaa063e41027cd06965863f14433fa197ae"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"8xyeMArlGhLbZ9Ys0Ja48qrxpDib29N/cgk5kLz85vSEtX70iyTF6eFZbUUbPPvrp/E7tnaZmvVvArowwGiVDg==","signed_message":"bundle_sha256_bytes","signed_at":"2026-05-26T03:37:30.461397Z","bundle_sha256":"7309c4172481cfaeeb60d9347301f93b0b4ce71c366daf5671e3750baaf10723"}}