{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2023:WLETJEMFNDDSIFCTTKAZIAOPJU","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":"e34b65e4f10a8f75e4c83efc23f6f572950b8ab693fdb60d0cd6153da6540a14","cross_cats_sorted":[],"license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","primary_cat":"cs.LG","submitted_at":"2023-02-15T15:56:23Z","title_canon_sha256":"11f315be244dddd45c1fa9dbbc719ad33dd1dc452ada8d05fd8caedfda68552f"},"schema_version":"1.0","source":{"id":"2302.07754","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2302.07754","created_at":"2026-07-05T05:42:05Z"},{"alias_kind":"arxiv_version","alias_value":"2302.07754v1","created_at":"2026-07-05T05:42:05Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2302.07754","created_at":"2026-07-05T05:42:05Z"},{"alias_kind":"pith_short_12","alias_value":"WLETJEMFNDDS","created_at":"2026-07-05T05:42:05Z"},{"alias_kind":"pith_short_16","alias_value":"WLETJEMFNDDSIFCT","created_at":"2026-07-05T05:42:05Z"},{"alias_kind":"pith_short_8","alias_value":"WLETJEMF","created_at":"2026-07-05T05:42:05Z"}],"graph_snapshots":[{"event_id":"sha256:95e34382527302c73ef4b83532269ee8f01ba1acc472e04a61f7237ae9b70a20","target":"graph","created_at":"2026-07-05T05:42:05Z","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/2302.07754/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"We investigate Siamese networks for learning related embeddings for augmented samples of molecular conformers. We find that a non-contrastive (positive-pair only) auxiliary task aids in supervised training of Euclidean neural networks (E3NNs) and increases manifold smoothness (MS) around point-cloud geometries. We demonstrate this property for multiple drug-activity prediction tasks while maintaining relevant performance metrics, and propose an extension of MS to probabilistic and regression settings. We provide an analysis of representation collapse, finding substantial effects of task-weight","authors_text":"Andrew Watkins, Jae Hyeon Lee, Ji Won Park, Joshua Yao-Yu Lin, Michael Maser, Nathan C. Frey","cross_cats":[],"headline":"","license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","primary_cat":"cs.LG","submitted_at":"2023-02-15T15:56:23Z","title":"SupSiam: Non-contrastive Auxiliary Loss for Learning from Molecular Conformers"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2302.07754","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":"sha256:1e6dee213d39d080b4079c225a346f08a0d3e247a2e3f992e3c8e4210c8e63d1","target":"record","created_at":"2026-07-05T05:42:05Z","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":"e34b65e4f10a8f75e4c83efc23f6f572950b8ab693fdb60d0cd6153da6540a14","cross_cats_sorted":[],"license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","primary_cat":"cs.LG","submitted_at":"2023-02-15T15:56:23Z","title_canon_sha256":"11f315be244dddd45c1fa9dbbc719ad33dd1dc452ada8d05fd8caedfda68552f"},"schema_version":"1.0","source":{"id":"2302.07754","kind":"arxiv","version":1}},"canonical_sha256":"b2c934918568c72414539a819401cf4d3f38b461a95c1b7e9be36b86206a311a","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"b2c934918568c72414539a819401cf4d3f38b461a95c1b7e9be36b86206a311a","first_computed_at":"2026-07-05T05:42:05.666213Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T05:42:05.666213Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"z65d/gwFuBnyOOFMb1HivPR3h6e6qfD0G4NL72VA3mV2O/Ryj6laeUF6/mTog4oUJA3G9RBocTCIjKoWWyrVDg==","signature_status":"signed_v1","signed_at":"2026-07-05T05:42:05.666612Z","signed_message":"canonical_sha256_bytes"},"source_id":"2302.07754","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:1e6dee213d39d080b4079c225a346f08a0d3e247a2e3f992e3c8e4210c8e63d1","sha256:95e34382527302c73ef4b83532269ee8f01ba1acc472e04a61f7237ae9b70a20"],"state_sha256":"d3acb1b2baa1a07a35d0a113f5f4bf4f77a2e3f458fa41a717e2951bae0f6ed3"}