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Presentations slides of Yu-Hang Tang on application of active machine learning and graph kernels. The talk also features the release of the GraphDot library.
", "publication_date": "2019-08-08", "publisher": "Zenodo", "references": [ { "reference": "Tang, Y. H., & de Jong, W. A. (2019). Prediction of atomization energy using graph kernel and active learning. The Journal of chemical physics, 150(4), 044107. https://doi.org/10.1063/1.5078640" } ], "resource_type": { "id": "presentation", "title": { "de": "Pr\u00e4sentation", "en": "Presentation" } }, "rights": [ { "description": { "en": "" }, "icon": "cc-by-nc-nd-icon", "id": "cc-by-nc-nd-4.0", "props": { "scheme": "spdx", "url": "https://creativecommons.org/licenses/by-nc-nd/4.0/legalcode" }, "title": { "en": "Creative Commons Attribution Non Commercial No Derivatives 4.0 International" } } ], "subjects": [ { "subject": "machine learning" }, { "subject": "graph" }, { "subject": "active learning" }, { "subject": "molecular prediction" }, { "subject": "computational chemistry" }, { "subject": "kernel" }, { "subject": "similarity" } ], "title": "Learning with Graph Kernels in the Chemical Universe" }, "parent": { "access": { "owned_by": { "user": 38586 } }, "communities": {}, "id": "3364077", "pids": { "doi": { "client": "datacite", "identifier": "10.5281/zenodo.3364077", "provider": "datacite" } } }, "pids": { "doi": { "client": "datacite", "identifier": "10.5281/zenodo.3401560", "provider": "datacite" }, "oai": { "identifier": "oai:zenodo.org:3401560", "provider": "oai" } }, "revision_id": 5, "stats": { "all_versions": { "data_volume": 284980635.0, "downloads": 221, "unique_downloads": 205, "unique_views": 978, "views": 1026 }, "this_version": { "data_volume": 31847499.0, "downloads": 27, "unique_downloads": 24, "unique_views": 82, "views": 88 } }, "status": "published", "updated": "2020-01-20T17:42:45.079011+00:00", "versions": { "index": 2, "is_latest": false } }