{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2018:KWDGR4WN5MMNC3U3JQNSCLWELM","short_pith_number":"pith:KWDGR4WN","canonical_record":{"source":{"id":"1809.09203","kind":"arxiv","version":2},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2018-09-24T20:14:41Z","cross_cats_sorted":["physics.comp-ph"],"title_canon_sha256":"b5e06b518e91bf01bd982f8bad107b9e65d0b4cab7bed78cb4f480d16ab0a768","abstract_canon_sha256":"a1ab42246121fff6cb48af6f9e23a369c4c8c03651feda8634899119937de6fa"},"schema_version":"1.0"},"canonical_sha256":"558668f2cdeb18d16e9b4c1b212ec45b264fd0cc53ea3a96ba5d443544e0f6f2","source":{"kind":"arxiv","id":"1809.09203","version":2},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1809.09203","created_at":"2026-05-17T23:45:46Z"},{"alias_kind":"arxiv_version","alias_value":"1809.09203v2","created_at":"2026-05-17T23:45:46Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1809.09203","created_at":"2026-05-17T23:45:46Z"},{"alias_kind":"pith_short_12","alias_value":"KWDGR4WN5MMN","created_at":"2026-05-18T12:32:33Z"},{"alias_kind":"pith_short_16","alias_value":"KWDGR4WN5MMNC3U3","created_at":"2026-05-18T12:32:33Z"},{"alias_kind":"pith_short_8","alias_value":"KWDGR4WN","created_at":"2026-05-18T12:32:33Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2018:KWDGR4WN5MMNC3U3JQNSCLWELM","target":"record","payload":{"canonical_record":{"source":{"id":"1809.09203","kind":"arxiv","version":2},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2018-09-24T20:14:41Z","cross_cats_sorted":["physics.comp-ph"],"title_canon_sha256":"b5e06b518e91bf01bd982f8bad107b9e65d0b4cab7bed78cb4f480d16ab0a768","abstract_canon_sha256":"a1ab42246121fff6cb48af6f9e23a369c4c8c03651feda8634899119937de6fa"},"schema_version":"1.0"},"canonical_sha256":"558668f2cdeb18d16e9b4c1b212ec45b264fd0cc53ea3a96ba5d443544e0f6f2","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-17T23:45:46.701998Z","signature_b64":"eSgzpwC8G/dAonY2nh/q0Aeeqam8HidklII8xJwEWu6WLRigtubjRb+cwSV3jqpAWwa28f1fu+h7LPVWY1oBDw==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"558668f2cdeb18d16e9b4c1b212ec45b264fd0cc53ea3a96ba5d443544e0f6f2","last_reissued_at":"2026-05-17T23:45:46.701451Z","signature_status":"signed_v1","first_computed_at":"2026-05-17T23:45:46.701451Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"1809.09203","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":"2026-05-17T23:45:46Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"ux7j1e+moM1/hD007IMDVeK1Sn81jWKiPPG51Fb9qs6by6V8SJY402sqMjpCFpXT0bUotxc9EvhBmau7skWjCw==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-06-01T12:32:53.094547Z"},"content_sha256":"e5f4f7e1bbd254ac63df35b8d8126c94db81408eff9bdfd56b69dd529b700e47","schema_version":"1.0","event_id":"sha256:e5f4f7e1bbd254ac63df35b8d8126c94db81408eff9bdfd56b69dd529b700e47"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2018:KWDGR4WN5MMNC3U3JQNSCLWELM","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Machine-learned multi-system surrogate models for materials prediction","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["physics.comp-ph"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Alexander V. Shapeev, Brayden Bekker, Chandramouli Nyshadham, Conrad W. Rosenbrock, David W. Wingate, G\\'abor Cs\\'anyi, Gus L. W. Hart, Matthias Rupp, Tim Mueller","submitted_at":"2018-09-24T20:14:41Z","abstract_excerpt":"Surrogate machine-learning models are transforming computational materials science by predicting properties of materials with the accuracy of ab initio methods at a fraction of the computational cost. We demonstrate surrogate models that simultaneously interpolate energies of different materials on a dataset of 10 binary alloys (AgCu, AlFe, AlMg, AlNi, AlTi, CoNi, CuFe, CuNi, FeV, NbNi) with 10 different species and all possible fcc, bcc and hcp structures up to 8 atoms in the unit cell, 15\\,950 structures in total. We find that the deviation of prediction errors when increasing the number of "},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1809.09203","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":""},"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":"2026-05-17T23:45:46Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"bQQRve52dCjh/3ygL02y9Wt83yMjt5Exk22z9aIiyE2NP6b++bX8Qkf05ZlCZWp2tsdMS9UZdOTyZabvF818Ag==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-06-01T12:32:53.094914Z"},"content_sha256":"0c136a486be2caef67e5c0e5aacf239d85b7130304d237ffd8b76437334dd78c","schema_version":"1.0","event_id":"sha256:0c136a486be2caef67e5c0e5aacf239d85b7130304d237ffd8b76437334dd78c"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/KWDGR4WN5MMNC3U3JQNSCLWELM/bundle.json","state_url":"https://pith.science/pith/KWDGR4WN5MMNC3U3JQNSCLWELM/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/KWDGR4WN5MMNC3U3JQNSCLWELM/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":"2026-06-01T12:32:53Z","links":{"resolver":"https://pith.science/pith/KWDGR4WN5MMNC3U3JQNSCLWELM","bundle":"https://pith.science/pith/KWDGR4WN5MMNC3U3JQNSCLWELM/bundle.json","state":"https://pith.science/pith/KWDGR4WN5MMNC3U3JQNSCLWELM/state.json","well_known_bundle":"https://pith.science/.well-known/pith/KWDGR4WN5MMNC3U3JQNSCLWELM/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2018:KWDGR4WN5MMNC3U3JQNSCLWELM","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":"a1ab42246121fff6cb48af6f9e23a369c4c8c03651feda8634899119937de6fa","cross_cats_sorted":["physics.comp-ph"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2018-09-24T20:14:41Z","title_canon_sha256":"b5e06b518e91bf01bd982f8bad107b9e65d0b4cab7bed78cb4f480d16ab0a768"},"schema_version":"1.0","source":{"id":"1809.09203","kind":"arxiv","version":2}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1809.09203","created_at":"2026-05-17T23:45:46Z"},{"alias_kind":"arxiv_version","alias_value":"1809.09203v2","created_at":"2026-05-17T23:45:46Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1809.09203","created_at":"2026-05-17T23:45:46Z"},{"alias_kind":"pith_short_12","alias_value":"KWDGR4WN5MMN","created_at":"2026-05-18T12:32:33Z"},{"alias_kind":"pith_short_16","alias_value":"KWDGR4WN5MMNC3U3","created_at":"2026-05-18T12:32:33Z"},{"alias_kind":"pith_short_8","alias_value":"KWDGR4WN","created_at":"2026-05-18T12:32:33Z"}],"graph_snapshots":[{"event_id":"sha256:0c136a486be2caef67e5c0e5aacf239d85b7130304d237ffd8b76437334dd78c","target":"graph","created_at":"2026-05-17T23:45:46Z","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":"Surrogate machine-learning models are transforming computational materials science by predicting properties of materials with the accuracy of ab initio methods at a fraction of the computational cost. We demonstrate surrogate models that simultaneously interpolate energies of different materials on a dataset of 10 binary alloys (AgCu, AlFe, AlMg, AlNi, AlTi, CoNi, CuFe, CuNi, FeV, NbNi) with 10 different species and all possible fcc, bcc and hcp structures up to 8 atoms in the unit cell, 15\\,950 structures in total. We find that the deviation of prediction errors when increasing the number of ","authors_text":"Alexander V. Shapeev, Brayden Bekker, Chandramouli Nyshadham, Conrad W. Rosenbrock, David W. Wingate, G\\'abor Cs\\'anyi, Gus L. W. Hart, Matthias Rupp, Tim Mueller","cross_cats":["physics.comp-ph"],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2018-09-24T20:14:41Z","title":"Machine-learned multi-system surrogate models for materials prediction"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1809.09203","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:e5f4f7e1bbd254ac63df35b8d8126c94db81408eff9bdfd56b69dd529b700e47","target":"record","created_at":"2026-05-17T23:45:46Z","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":"a1ab42246121fff6cb48af6f9e23a369c4c8c03651feda8634899119937de6fa","cross_cats_sorted":["physics.comp-ph"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2018-09-24T20:14:41Z","title_canon_sha256":"b5e06b518e91bf01bd982f8bad107b9e65d0b4cab7bed78cb4f480d16ab0a768"},"schema_version":"1.0","source":{"id":"1809.09203","kind":"arxiv","version":2}},"canonical_sha256":"558668f2cdeb18d16e9b4c1b212ec45b264fd0cc53ea3a96ba5d443544e0f6f2","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"558668f2cdeb18d16e9b4c1b212ec45b264fd0cc53ea3a96ba5d443544e0f6f2","first_computed_at":"2026-05-17T23:45:46.701451Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-17T23:45:46.701451Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"eSgzpwC8G/dAonY2nh/q0Aeeqam8HidklII8xJwEWu6WLRigtubjRb+cwSV3jqpAWwa28f1fu+h7LPVWY1oBDw==","signature_status":"signed_v1","signed_at":"2026-05-17T23:45:46.701998Z","signed_message":"canonical_sha256_bytes"},"source_id":"1809.09203","source_kind":"arxiv","source_version":2}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:e5f4f7e1bbd254ac63df35b8d8126c94db81408eff9bdfd56b69dd529b700e47","sha256:0c136a486be2caef67e5c0e5aacf239d85b7130304d237ffd8b76437334dd78c"],"state_sha256":"923a931808049619ed2ad9fdc3c5d9c45212b6a8826ec280896df893e958eae7"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"EiKT/sB12xywqn07MlRO2ylddjAFyi+/GIHM8bXVhTaqYK5ujk3qDhzK7asLH/6eBvmXe30PSdZYWH4BzLENCg==","signed_message":"bundle_sha256_bytes","signed_at":"2026-06-01T12:32:53.096895Z","bundle_sha256":"fad1c528feea662c6e07663cb97f21c944269d9f42bd9f6942a1eda08f29bc94"}}