{"links":{},"metadata":{"_oai":{"id":"oai:ipsj.ixsq.nii.ac.jp:00018408","sets":["934:1119:1136:1139"]},"path":["1139"],"owner":"1","recid":"18408","title":["量子化学計算における計算資源予測機能の改良"],"pubdate":{"attribute_name":"公開日","attribute_value":"2005-05-15"},"_buckets":{"deposit":"74f49cde-7887-4d29-b344-480a6e0dc13b"},"_deposit":{"id":"18408","pid":{"type":"depid","value":"18408","revision_id":0},"owners":[1],"status":"published","created_by":1},"item_title":"量子化学計算における計算資源予測機能の改良","author_link":["0","0"],"item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"量子化学計算における計算資源予測機能の改良"},{"subitem_title":"Reformulation of Estimating Resource Requirements for Quantum Chemistry Calculation","subitem_title_language":"en"}]},"item_keyword":{"attribute_name":"キーワード","attribute_value_mlt":[{"subitem_subject":"グリッド","subitem_subject_scheme":"Other"}]},"item_type_id":"3","publish_date":"2005-05-15","item_3_text_3":{"attribute_name":"著者所属","attribute_value_mlt":[{"subitem_text_value":"産業技術総合研究所グリッド研究センター"},{"subitem_text_value":"産業技術総合研究所グリッド研究センター"},{"subitem_text_value":"産業技術総合研究所グリッド研究センター"},{"subitem_text_value":"産業技術総合研究所グリッド研究センター"}]},"item_3_text_4":{"attribute_name":"著者所属(英)","attribute_value_mlt":[{"subitem_text_value":"Grid Technology Research Center National Institute of Advanced Industrial Science and Technology (AIST)","subitem_text_language":"en"},{"subitem_text_value":"Grid Technology Research Center National Institute of Advanced Industrial Science and Technology (AIST)","subitem_text_language":"en"},{"subitem_text_value":"Grid Technology Research Center National Institute of Advanced Industrial Science and Technology (AIST)","subitem_text_language":"en"},{"subitem_text_value":"Grid Technology Research Center National Institute of Advanced Industrial Science and Technology (AIST)","subitem_text_language":"en"}]},"item_language":{"attribute_name":"言語","attribute_value_mlt":[{"subitem_language":"jpn"}]},"item_publisher":{"attribute_name":"出版者","attribute_value_mlt":[{"subitem_publisher":"情報処理学会","subitem_publisher_language":"ja"}]},"publish_status":"0","weko_shared_id":-1,"item_file_price":{"attribute_name":"Billing file","attribute_type":"file","attribute_value_mlt":[{"url":{"url":"https://ipsj.ixsq.nii.ac.jp/record/18408/files/IPSJ-TACS4607005.pdf"},"date":[{"dateType":"Available","dateValue":"2007-05-15"}],"format":"application/pdf","billing":["billing_file"],"filename":"IPSJ-TACS4607005.pdf","filesize":[{"value":"279.3 kB"}],"mimetype":"application/pdf","priceinfo":[{"tax":["include_tax"],"price":"660","billingrole":"5"},{"tax":["include_tax"],"price":"330","billingrole":"6"},{"tax":["include_tax"],"price":"0","billingrole":"16"},{"tax":["include_tax"],"price":"0","billingrole":"11"},{"tax":["include_tax"],"price":"0","billingrole":"14"},{"tax":["include_tax"],"price":"0","billingrole":"15"},{"tax":["include_tax"],"price":"0","billingrole":"44"}],"accessrole":"open_date","version_id":"9c8985d8-8576-4fd6-9276-709504222f36","displaytype":"detail","licensetype":"license_note","license_note":"Copyright (c) 2005 by the Information Processing Society of Japan"}]},"item_3_creator_5":{"attribute_name":"著者名","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"西川, 武志"},{"creatorName":"伊藤, 智"},{"creatorName":"長嶋, 雲兵"},{"creatorName":"関口, 智嗣"}],"nameIdentifiers":[{}]}]},"item_3_creator_6":{"attribute_name":"著者名(英)","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"Takeshi, Nishikawa","creatorNameLang":"en"},{"creatorName":"Satoshi, Itoh","creatorNameLang":"en"},{"creatorName":"Umpei, Nagashima","creatorNameLang":"en"},{"creatorName":"Satoshi, Sekiguchi","creatorNameLang":"en"}],"nameIdentifiers":[{}]}]},"item_3_source_id_9":{"attribute_name":"書誌レコードID","attribute_value_mlt":[{"subitem_source_identifier":"AA11833852","subitem_source_identifier_type":"NCID"}]},"item_resource_type":{"attribute_name":"資源タイプ","attribute_value_mlt":[{"resourceuri":"http://purl.org/coar/resource_type/c_6501","resourcetype":"journal article"}]},"item_3_source_id_11":{"attribute_name":"ISSN","attribute_value_mlt":[{"subitem_source_identifier":"1882-7829","subitem_source_identifier_type":"ISSN"}]},"item_3_description_7":{"attribute_name":"論文抄録","attribute_value_mlt":[{"subitem_description":"これまでにグリッド技術を用いた量子化学アプリケーションGaussian の利用環境としてQuantum Chemistry Grid/Gaussian Portal（QC Grid/Gaussian Portal）の設計と構築を行ってきた．QC Grid ではメタスケジューラがジョブの要求する資源量を基底関数数の指数関数として推定した．今回は，分子中の原子数を説明変数に加えた新たな計算時間予測式とロバスト回帰分析によるパラメータ決定を導入することで，原子数に依存した実行計算時間不連続や繰返し計算の収束異常に由来する外れ値に対応できていなかった既存の実装の難点を克服したことを報告する．これにより新たなメタスケジューラは結果データベースから性能情報を抽出して自律的に予測機能へ反映することが可能となった．","subitem_description_type":"Other"}]},"item_3_description_8":{"attribute_name":"論文抄録(英)","attribute_value_mlt":[{"subitem_description":"We have designed and developed the Quantum Chemistry Grid (QC Grid)/Gaussian Portal as a useful environment of the quantum chemistry application package by deploying the grid technology. At the QC Grid, the Meta-scheduler estimates the resource requirements ofb each job in a fomula of an exponential function of the number of basis functions. The Metascheduler is improved by adding atomicity to the explanatory variable and reformulating estimation of calculation time. It enables to make accurate estimation though the discontinuity of the execution time exist which depends on the number of atoms in a molecule. It solves problems in former formulation by introducing the robust regression analysis at parameterizing of the estimating formula. The Meta-scheduler becomes possible by reformulating the calculation time estimation the autonomous reflection in the resource requirements prediction by extracting performance information from the results database.","subitem_description_type":"Other"}]},"item_3_biblio_info_10":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicPageEnd":"34","bibliographic_titles":[{"bibliographic_title":"情報処理学会論文誌コンピューティングシステム（ACS）"}],"bibliographicPageStart":"28","bibliographicIssueDates":{"bibliographicIssueDate":"2005-05-15","bibliographicIssueDateType":"Issued"},"bibliographicIssueNumber":"SIG7(ACS10)","bibliographicVolumeNumber":"46"}]},"relation_version_is_last":true,"weko_creator_id":"1"},"updated":"2025-01-22T22:46:40.273900+00:00","created":"2025-01-18T22:51:09.240841+00:00","id":18408}