{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2025:Q3AFQ2M676QBU3AN6HMPS3OWEU","short_pith_number":"pith:Q3AFQ2M6","canonical_record":{"source":{"id":"2502.03660","kind":"arxiv","version":1},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2025-02-05T23:04:21Z","cross_cats_sorted":["cs.AI","cs.LG"],"title_canon_sha256":"69083a37311339d0476efab9c67e6717e2f6348b521bc3d449deb19e30ee32ca","abstract_canon_sha256":"277d4c8aa85e706b5e7cdbf72bcf110ee25132b33cd021c043255cc5279f8ae5"},"schema_version":"1.0"},"canonical_sha256":"86c058699effa01a6c0df1d8f96dd625153cfbb1fe093f03e8e02232f66c8440","source":{"kind":"arxiv","id":"2502.03660","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2502.03660","created_at":"2026-07-05T10:10:13Z"},{"alias_kind":"arxiv_version","alias_value":"2502.03660v1","created_at":"2026-07-05T10:10:13Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2502.03660","created_at":"2026-07-05T10:10:13Z"},{"alias_kind":"pith_short_12","alias_value":"Q3AFQ2M676QB","created_at":"2026-07-05T10:10:13Z"},{"alias_kind":"pith_short_16","alias_value":"Q3AFQ2M676QBU3AN","created_at":"2026-07-05T10:10:13Z"},{"alias_kind":"pith_short_8","alias_value":"Q3AFQ2M6","created_at":"2026-07-05T10:10:13Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2025:Q3AFQ2M676QBU3AN6HMPS3OWEU","target":"record","payload":{"canonical_record":{"source":{"id":"2502.03660","kind":"arxiv","version":1},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2025-02-05T23:04:21Z","cross_cats_sorted":["cs.AI","cs.LG"],"title_canon_sha256":"69083a37311339d0476efab9c67e6717e2f6348b521bc3d449deb19e30ee32ca","abstract_canon_sha256":"277d4c8aa85e706b5e7cdbf72bcf110ee25132b33cd021c043255cc5279f8ae5"},"schema_version":"1.0"},"canonical_sha256":"86c058699effa01a6c0df1d8f96dd625153cfbb1fe093f03e8e02232f66c8440","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T10:10:13.463310Z","signature_b64":"sLJT9iF5vHy+DXMkF+5phYJOXtlIhn6CJBsUSHYix1YBTP/wsxPVCVFFaaTLE9gwbrfUFMRMJssZCr/7ShWPBA==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"86c058699effa01a6c0df1d8f96dd625153cfbb1fe093f03e8e02232f66c8440","last_reissued_at":"2026-07-05T10:10:13.462774Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T10:10:13.462774Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2502.03660","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":"2026-07-05T10:10:13Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"MoEla+Mr/v0NA9ti5s+ExV2Jw8ZdiGOAkub08D6tMcuSOhbWg+Eh2POPKawRnCeK7q36TEiM66N8WdJtUehrDQ==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-09T14:21:58.479962Z"},"content_sha256":"8336c702775db58003fb10e882de84f99e92fa9cdbd80ce0ab3ecc0a2863ef89","schema_version":"1.0","event_id":"sha256:8336c702775db58003fb10e882de84f99e92fa9cdbd80ce0ab3ecc0a2863ef89"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2025:Q3AFQ2M676QBU3AN6HMPS3OWEU","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Energy & Force Regression on DFT Trajectories is Not Enough for Universal Machine Learning Interatomic Potentials","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":["cs.AI","cs.LG"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Carmelo Gonzales, Kin Long Kelvin Lee, N. M. Anoop Krishnan, Sajid Mannan, Santiago Miret","submitted_at":"2025-02-05T23:04:21Z","abstract_excerpt":"Universal Machine Learning Interactomic Potentials (MLIPs) enable accelerated simulations for materials discovery. However, current research efforts fail to impactfully utilize MLIPs due to: 1. Overreliance on Density Functional Theory (DFT) for MLIP training data creation; 2. MLIPs' inability to reliably and accurately perform large-scale molecular dynamics (MD) simulations for diverse materials; 3. Limited understanding of MLIPs' underlying capabilities. To address these shortcomings, we aargue that MLIP research efforts should prioritize: 1. Employing more accurate simulation methods for la"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2502.03660","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/2502.03660/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":"2026-07-05T10:10:13Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"guc5E2zhgdsguo6y49UXueJCD3ErKhxm5Dqgl8MEPkZ15WurqVVAUqFcBRXz0B1lw7oC63msQcThANXndwyNBQ==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-09T14:21:58.480541Z"},"content_sha256":"fb66e372565b464e5472b8d230917d77cc6b63e831ac585a0c416ee9aca9524e","schema_version":"1.0","event_id":"sha256:fb66e372565b464e5472b8d230917d77cc6b63e831ac585a0c416ee9aca9524e"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/Q3AFQ2M676QBU3AN6HMPS3OWEU/bundle.json","state_url":"https://pith.science/pith/Q3AFQ2M676QBU3AN6HMPS3OWEU/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/Q3AFQ2M676QBU3AN6HMPS3OWEU/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":"2026-08-09T14:21:58Z","links":{"resolver":"https://pith.science/pith/Q3AFQ2M676QBU3AN6HMPS3OWEU","bundle":"https://pith.science/pith/Q3AFQ2M676QBU3AN6HMPS3OWEU/bundle.json","state":"https://pith.science/pith/Q3AFQ2M676QBU3AN6HMPS3OWEU/state.json","well_known_bundle":"https://pith.science/.well-known/pith/Q3AFQ2M676QBU3AN6HMPS3OWEU/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2025:Q3AFQ2M676QBU3AN6HMPS3OWEU","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":"277d4c8aa85e706b5e7cdbf72bcf110ee25132b33cd021c043255cc5279f8ae5","cross_cats_sorted":["cs.AI","cs.LG"],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2025-02-05T23:04:21Z","title_canon_sha256":"69083a37311339d0476efab9c67e6717e2f6348b521bc3d449deb19e30ee32ca"},"schema_version":"1.0","source":{"id":"2502.03660","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2502.03660","created_at":"2026-07-05T10:10:13Z"},{"alias_kind":"arxiv_version","alias_value":"2502.03660v1","created_at":"2026-07-05T10:10:13Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2502.03660","created_at":"2026-07-05T10:10:13Z"},{"alias_kind":"pith_short_12","alias_value":"Q3AFQ2M676QB","created_at":"2026-07-05T10:10:13Z"},{"alias_kind":"pith_short_16","alias_value":"Q3AFQ2M676QBU3AN","created_at":"2026-07-05T10:10:13Z"},{"alias_kind":"pith_short_8","alias_value":"Q3AFQ2M6","created_at":"2026-07-05T10:10:13Z"}],"graph_snapshots":[{"event_id":"sha256:fb66e372565b464e5472b8d230917d77cc6b63e831ac585a0c416ee9aca9524e","target":"graph","created_at":"2026-07-05T10:10:13Z","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/2502.03660/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"Universal Machine Learning Interactomic Potentials (MLIPs) enable accelerated simulations for materials discovery. However, current research efforts fail to impactfully utilize MLIPs due to: 1. Overreliance on Density Functional Theory (DFT) for MLIP training data creation; 2. MLIPs' inability to reliably and accurately perform large-scale molecular dynamics (MD) simulations for diverse materials; 3. Limited understanding of MLIPs' underlying capabilities. To address these shortcomings, we aargue that MLIP research efforts should prioritize: 1. Employing more accurate simulation methods for la","authors_text":"Carmelo Gonzales, Kin Long Kelvin Lee, N. M. Anoop Krishnan, Sajid Mannan, Santiago Miret","cross_cats":["cs.AI","cs.LG"],"headline":"","license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2025-02-05T23:04:21Z","title":"Energy & Force Regression on DFT Trajectories is Not Enough for Universal Machine Learning Interatomic Potentials"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2502.03660","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":"sha256:8336c702775db58003fb10e882de84f99e92fa9cdbd80ce0ab3ecc0a2863ef89","target":"record","created_at":"2026-07-05T10:10:13Z","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":"277d4c8aa85e706b5e7cdbf72bcf110ee25132b33cd021c043255cc5279f8ae5","cross_cats_sorted":["cs.AI","cs.LG"],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2025-02-05T23:04:21Z","title_canon_sha256":"69083a37311339d0476efab9c67e6717e2f6348b521bc3d449deb19e30ee32ca"},"schema_version":"1.0","source":{"id":"2502.03660","kind":"arxiv","version":1}},"canonical_sha256":"86c058699effa01a6c0df1d8f96dd625153cfbb1fe093f03e8e02232f66c8440","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"86c058699effa01a6c0df1d8f96dd625153cfbb1fe093f03e8e02232f66c8440","first_computed_at":"2026-07-05T10:10:13.462774Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T10:10:13.462774Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"sLJT9iF5vHy+DXMkF+5phYJOXtlIhn6CJBsUSHYix1YBTP/wsxPVCVFFaaTLE9gwbrfUFMRMJssZCr/7ShWPBA==","signature_status":"signed_v1","signed_at":"2026-07-05T10:10:13.463310Z","signed_message":"canonical_sha256_bytes"},"source_id":"2502.03660","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:8336c702775db58003fb10e882de84f99e92fa9cdbd80ce0ab3ecc0a2863ef89","sha256:fb66e372565b464e5472b8d230917d77cc6b63e831ac585a0c416ee9aca9524e"],"state_sha256":"baf6c174dca4783e4ac0d09c787e3c9ee31950eff0c3ab378019779263080795"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"jXwsoaIFXobXguQYAVBjQALJWzDnC5S/teV4S3qWf5hrbeyA7Ojpgo0Xw38VNEwelmuQ6RW/bx4pjIylqE5hAg==","signed_message":"bundle_sha256_bytes","signed_at":"2026-08-09T14:21:58.485645Z","bundle_sha256":"fb7f56c1eae0fea79ff99371d4678f4dcff228c1798af845b821c0b04377ed56"}}