{"record_type":"pith_number_record","schema_url":"https://pith.science/schemas/pith-number/v1.json","pith_number":"pith:2025:JW2OR6QE7J6J5QK4PADI66GYF4","short_pith_number":"pith:JW2OR6QE","schema_version":"1.0","canonical_sha256":"4db4e8fa04fa7c9ec15c78068f78d82f367ebefb61d860562ec947aa370824f6","source":{"kind":"arxiv","id":"2504.16893","version":2},"attestation_state":"computed","paper":{"title":"Crystal structure prediction with host-guided inpainting generation and foundation potentials","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":["physics.comp-ph"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Bowen Deng, Gerbrand Ceder, Kristin A. Persson, Peichen Zhong, Xinzhe Dai","submitted_at":"2025-04-23T17:21:03Z","abstract_excerpt":"Unconditional crystal structure generation with diffusion models faces challenges in identifying symmetric crystals as the unit cell size increases. We present the Crystal Host-Guided Generation (CHGGen) framework to address this challenge through conditional generation using an inpainting method, which optimizes a fraction of atomic positions within a predefined and symmetrized host structure to improve the success rate for symmetric structure generation. By integrating inpainting structure generation with a foundation potential for structure optimization, we demonstrate the method on the ZnS"},"verification_status":{"content_addressed":true,"pith_receipt":true,"author_attested":false,"weak_author_claims":0,"strong_author_claims":0,"externally_anchored":false,"storage_verified":false,"citation_signatures":0,"replication_records":0,"graph_snapshot":true,"references_resolved":false,"formal_links_present":false},"canonical_record":{"source":{"id":"2504.16893","kind":"arxiv","version":2},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2025-04-23T17:21:03Z","cross_cats_sorted":["physics.comp-ph"],"title_canon_sha256":"2a4c2e3bc890745e76a32ff8c7834a15c07ff8d412a9421bf279ede3254072e6","abstract_canon_sha256":"f1c31841d23d036f85ee525483fc3c4c0c0a878d1f79b6902370e047d4336741"},"schema_version":"1.0"},"receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T12:06:09.582739Z","signature_b64":"o3O/s/u1yf760M0mH/QLa9e95jniE+bKlCZFwqNekBtihRw+7wJgTy5PhTc6mySHl8BeC671Pitg8a6zLnULBw==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"4db4e8fa04fa7c9ec15c78068f78d82f367ebefb61d860562ec947aa370824f6","last_reissued_at":"2026-07-05T12:06:09.582236Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T12:06:09.582236Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"graph_snapshot":{"paper":{"title":"Crystal structure prediction with host-guided inpainting generation and foundation potentials","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":["physics.comp-ph"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Bowen Deng, Gerbrand Ceder, Kristin A. Persson, Peichen Zhong, Xinzhe Dai","submitted_at":"2025-04-23T17:21:03Z","abstract_excerpt":"Unconditional crystal structure generation with diffusion models faces challenges in identifying symmetric crystals as the unit cell size increases. We present the Crystal Host-Guided Generation (CHGGen) framework to address this challenge through conditional generation using an inpainting method, which optimizes a fraction of atomic positions within a predefined and symmetrized host structure to improve the success rate for symmetric structure generation. By integrating inpainting structure generation with a foundation potential for structure optimization, we demonstrate the method on the ZnS"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2504.16893","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/2504.16893/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"},"aliases":[{"alias_kind":"arxiv","alias_value":"2504.16893","created_at":"2026-07-05T12:06:09.582298+00:00"},{"alias_kind":"arxiv_version","alias_value":"2504.16893v2","created_at":"2026-07-05T12:06:09.582298+00:00"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2504.16893","created_at":"2026-07-05T12:06:09.582298+00:00"},{"alias_kind":"pith_short_12","alias_value":"JW2OR6QE7J6J","created_at":"2026-07-05T12:06:09.582298+00:00"},{"alias_kind":"pith_short_16","alias_value":"JW2OR6QE7J6J5QK4","created_at":"2026-07-05T12:06:09.582298+00:00"},{"alias_kind":"pith_short_8","alias_value":"JW2OR6QE","created_at":"2026-07-05T12:06:09.582298+00:00"}],"events":[],"event_summary":{},"paper_claims":[],"inbound_citations":{"count":1,"internal_anchor_count":1,"sample":[{"citing_arxiv_id":"2504.16893","citing_title":"Crystal structure prediction with host-guided inpainting generation and foundation potentials","ref_index":22,"is_internal_anchor":true}]},"formal_canon":{"evidence_count":0,"sample":[],"anchors":[]},"links":{"html":"https://pith.science/pith/JW2OR6QE7J6J5QK4PADI66GYF4","json":"https://pith.science/pith/JW2OR6QE7J6J5QK4PADI66GYF4.json","graph_json":"https://pith.science/api/pith-number/JW2OR6QE7J6J5QK4PADI66GYF4/graph.json","events_json":"https://pith.science/api/pith-number/JW2OR6QE7J6J5QK4PADI66GYF4/events.json","paper":"https://pith.science/paper/JW2OR6QE"},"agent_actions":{"view_html":"https://pith.science/pith/JW2OR6QE7J6J5QK4PADI66GYF4","download_json":"https://pith.science/pith/JW2OR6QE7J6J5QK4PADI66GYF4.json","view_paper":"https://pith.science/paper/JW2OR6QE","resolve_alias":"https://pith.science/api/pith-number/resolve?arxiv=2504.16893&json=true","fetch_graph":"https://pith.science/api/pith-number/JW2OR6QE7J6J5QK4PADI66GYF4/graph.json","fetch_events":"https://pith.science/api/pith-number/JW2OR6QE7J6J5QK4PADI66GYF4/events.json","actions":{"anchor_timestamp":"https://pith.science/pith/JW2OR6QE7J6J5QK4PADI66GYF4/action/timestamp_anchor","attest_storage":"https://pith.science/pith/JW2OR6QE7J6J5QK4PADI66GYF4/action/storage_attestation","attest_author":"https://pith.science/pith/JW2OR6QE7J6J5QK4PADI66GYF4/action/author_attestation","sign_citation":"https://pith.science/pith/JW2OR6QE7J6J5QK4PADI66GYF4/action/citation_signature","submit_replication":"https://pith.science/pith/JW2OR6QE7J6J5QK4PADI66GYF4/action/replication_record"}},"created_at":"2026-07-05T12:06:09.582298+00:00","updated_at":"2026-07-05T12:06:09.582298+00:00"}