{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2025:5CBJQMZ7EKOHUBS23CXEEMVB42","short_pith_number":"pith:5CBJQMZ7","canonical_record":{"source":{"id":"2509.06525","kind":"arxiv","version":1},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2025-09-08T10:31:56Z","cross_cats_sorted":["physics.comp-ph"],"title_canon_sha256":"cbae72fab2ff806ba8e384a40e72753229675e0c9ff754c548777ff420a73629","abstract_canon_sha256":"a225f1edec3749524f74679c0ce8da7ac51ce7258ac69bc3d32f250a8f6e9581"},"schema_version":"1.0"},"canonical_sha256":"e88298333f229c7a065ad8ae4232a1e6af9e982a1b9ab62b6463f46dbd365aaf","source":{"kind":"arxiv","id":"2509.06525","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2509.06525","created_at":"2026-07-05T12:06:37Z"},{"alias_kind":"arxiv_version","alias_value":"2509.06525v1","created_at":"2026-07-05T12:06:37Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2509.06525","created_at":"2026-07-05T12:06:37Z"},{"alias_kind":"pith_short_12","alias_value":"5CBJQMZ7EKOH","created_at":"2026-07-05T12:06:37Z"},{"alias_kind":"pith_short_16","alias_value":"5CBJQMZ7EKOHUBS2","created_at":"2026-07-05T12:06:37Z"},{"alias_kind":"pith_short_8","alias_value":"5CBJQMZ7","created_at":"2026-07-05T12:06:37Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2025:5CBJQMZ7EKOHUBS23CXEEMVB42","target":"record","payload":{"canonical_record":{"source":{"id":"2509.06525","kind":"arxiv","version":1},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2025-09-08T10:31:56Z","cross_cats_sorted":["physics.comp-ph"],"title_canon_sha256":"cbae72fab2ff806ba8e384a40e72753229675e0c9ff754c548777ff420a73629","abstract_canon_sha256":"a225f1edec3749524f74679c0ce8da7ac51ce7258ac69bc3d32f250a8f6e9581"},"schema_version":"1.0"},"canonical_sha256":"e88298333f229c7a065ad8ae4232a1e6af9e982a1b9ab62b6463f46dbd365aaf","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T12:06:37.598882Z","signature_b64":"+nJYa13x/sfK0VzIYS3pa3nZNmfdVc+xbzR3/AU7a6geHBbqslgQ9XP256Y7pEPcu5YsL/LgARv6tvDdvziDAA==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"e88298333f229c7a065ad8ae4232a1e6af9e982a1b9ab62b6463f46dbd365aaf","last_reissued_at":"2026-07-05T12:06:37.598394Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T12:06:37.598394Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2509.06525","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":"2026-07-05T12:06:37Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"H2mEo2ScMSyyd4vhvIyl9isQ1ns8fr73w+tGzMBmXvCLIPIHJRAhXa8k7Czgig/wLOJb3KSEHw2kJCag5BC6Cg==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-06T04:05:33.906094Z"},"content_sha256":"7b81c3560121994ec019c3f9debaed5be0160257d7bfef4481d4788ccf288257","schema_version":"1.0","event_id":"sha256:7b81c3560121994ec019c3f9debaed5be0160257d7bfef4481d4788ccf288257"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2025:5CBJQMZ7EKOHUBS23CXEEMVB42","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"GPUTB: Efficient Machine Learning Tight-Binding Method for Large-Scale Electronic Properties Calculations","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":["physics.comp-ph"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Chi Ding, Dingyu Xing, Hui-Tian Wang, Jian Sun, Junjie Wang, Yunlong Wang, Zheyong Fan, Zhixin Liang","submitted_at":"2025-09-08T10:31:56Z","abstract_excerpt":"The high computational cost of ab-initio methods limits their application in predicting electronic properties at the device scale. Therefore, an efficient method is needed to map the atomic structure to the electronic structure quickly. Here, we develop GPUTB, a GPU-accelerated tight-binding (TB) machine learning framework. GPUTB employs atomic environment descriptors, enabling the model parameters to incorporate environmental dependence. This allows the model to transfer to different basis, xc-functionals, and allotropes easily. Combined with the linear scaling quantum transport method, we ha"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2509.06525","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/2509.06525/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":"2026-07-05T12:06:37Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"CJPPrRbY7dnFpPw2+mlA5NNSgYjDq8acAh9AAkDQBdZtrxGQ5k7nirKnwxb5nNfh4wcJpg4C7LFIdVAKc+9oAA==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-06T04:05:33.906983Z"},"content_sha256":"7b8d9b6d78a22b3a60b6081ddb7811a40de129af504d24976adcfdca9c4e6b2e","schema_version":"1.0","event_id":"sha256:7b8d9b6d78a22b3a60b6081ddb7811a40de129af504d24976adcfdca9c4e6b2e"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/5CBJQMZ7EKOHUBS23CXEEMVB42/bundle.json","state_url":"https://pith.science/pith/5CBJQMZ7EKOHUBS23CXEEMVB42/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/5CBJQMZ7EKOHUBS23CXEEMVB42/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":"2026-08-06T04:05:33Z","links":{"resolver":"https://pith.science/pith/5CBJQMZ7EKOHUBS23CXEEMVB42","bundle":"https://pith.science/pith/5CBJQMZ7EKOHUBS23CXEEMVB42/bundle.json","state":"https://pith.science/pith/5CBJQMZ7EKOHUBS23CXEEMVB42/state.json","well_known_bundle":"https://pith.science/.well-known/pith/5CBJQMZ7EKOHUBS23CXEEMVB42/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2025:5CBJQMZ7EKOHUBS23CXEEMVB42","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":"a225f1edec3749524f74679c0ce8da7ac51ce7258ac69bc3d32f250a8f6e9581","cross_cats_sorted":["physics.comp-ph"],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2025-09-08T10:31:56Z","title_canon_sha256":"cbae72fab2ff806ba8e384a40e72753229675e0c9ff754c548777ff420a73629"},"schema_version":"1.0","source":{"id":"2509.06525","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2509.06525","created_at":"2026-07-05T12:06:37Z"},{"alias_kind":"arxiv_version","alias_value":"2509.06525v1","created_at":"2026-07-05T12:06:37Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2509.06525","created_at":"2026-07-05T12:06:37Z"},{"alias_kind":"pith_short_12","alias_value":"5CBJQMZ7EKOH","created_at":"2026-07-05T12:06:37Z"},{"alias_kind":"pith_short_16","alias_value":"5CBJQMZ7EKOHUBS2","created_at":"2026-07-05T12:06:37Z"},{"alias_kind":"pith_short_8","alias_value":"5CBJQMZ7","created_at":"2026-07-05T12:06:37Z"}],"graph_snapshots":[{"event_id":"sha256:7b8d9b6d78a22b3a60b6081ddb7811a40de129af504d24976adcfdca9c4e6b2e","target":"graph","created_at":"2026-07-05T12:06:37Z","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/2509.06525/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"The high computational cost of ab-initio methods limits their application in predicting electronic properties at the device scale. Therefore, an efficient method is needed to map the atomic structure to the electronic structure quickly. Here, we develop GPUTB, a GPU-accelerated tight-binding (TB) machine learning framework. GPUTB employs atomic environment descriptors, enabling the model parameters to incorporate environmental dependence. This allows the model to transfer to different basis, xc-functionals, and allotropes easily. Combined with the linear scaling quantum transport method, we ha","authors_text":"Chi Ding, Dingyu Xing, Hui-Tian Wang, Jian Sun, Junjie Wang, Yunlong Wang, Zheyong Fan, Zhixin Liang","cross_cats":["physics.comp-ph"],"headline":"","license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2025-09-08T10:31:56Z","title":"GPUTB: Efficient Machine Learning Tight-Binding Method for Large-Scale Electronic Properties Calculations"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2509.06525","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":"sha256:7b81c3560121994ec019c3f9debaed5be0160257d7bfef4481d4788ccf288257","target":"record","created_at":"2026-07-05T12:06:37Z","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":"a225f1edec3749524f74679c0ce8da7ac51ce7258ac69bc3d32f250a8f6e9581","cross_cats_sorted":["physics.comp-ph"],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2025-09-08T10:31:56Z","title_canon_sha256":"cbae72fab2ff806ba8e384a40e72753229675e0c9ff754c548777ff420a73629"},"schema_version":"1.0","source":{"id":"2509.06525","kind":"arxiv","version":1}},"canonical_sha256":"e88298333f229c7a065ad8ae4232a1e6af9e982a1b9ab62b6463f46dbd365aaf","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"e88298333f229c7a065ad8ae4232a1e6af9e982a1b9ab62b6463f46dbd365aaf","first_computed_at":"2026-07-05T12:06:37.598394Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T12:06:37.598394Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"+nJYa13x/sfK0VzIYS3pa3nZNmfdVc+xbzR3/AU7a6geHBbqslgQ9XP256Y7pEPcu5YsL/LgARv6tvDdvziDAA==","signature_status":"signed_v1","signed_at":"2026-07-05T12:06:37.598882Z","signed_message":"canonical_sha256_bytes"},"source_id":"2509.06525","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:7b81c3560121994ec019c3f9debaed5be0160257d7bfef4481d4788ccf288257","sha256:7b8d9b6d78a22b3a60b6081ddb7811a40de129af504d24976adcfdca9c4e6b2e"],"state_sha256":"1ed4784c64cb3dbf7879e44064eecd737293aed6980720a7e67e0b174ff80236"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"6Oinr33+2T1/xyH5TzQz6QYzFRVdOmY9LI8Gurfg/WBbuz1yL3VqDfviFR7QiP6VImfhS8BSCGXxeZ/3NvhDBQ==","signed_message":"bundle_sha256_bytes","signed_at":"2026-08-06T04:05:33.914100Z","bundle_sha256":"1595d5687f78e8c096a6a68134cc2dc7dd2fca21a9fd29fc31dfd3f4085bdc29"}}