{"id":3312,"date":"2023-08-17T16:20:24","date_gmt":"2023-08-18T00:20:24","guid":{"rendered":"http:\/\/antoine.wojdyla.fr\/blog\/?p=3312"},"modified":"2023-08-30T16:20:47","modified_gmt":"2023-08-31T00:20:47","slug":"updates-on-ai-for-big-science","status":"publish","type":"post","link":"http:\/\/antoine.wojdyla.fr\/blog\/2023\/08\/17\/updates-on-ai-for-big-science\/","title":{"rendered":"Updates on AI for big science"},"content":{"rendered":"<p>There&#8217;s a lot of things happening on the front of AI for Big Science (AI for large scale facilities, such as synchrotrons.)<\/p>The recently published DOE report in <a href=\"https:\/\/www.anl.gov\/ai-for-science-report\" onclick=\"_gaq.push(['_trackEvent', 'outbound-article', 'https:\/\/www.anl.gov\/ai-for-science-report', 'AI for Science, Energy, and Security Report']);\" >AI for Science, Energy, and Security Report<\/a> provides interesting insights, and a much-needed update to the\u00a0<a href=\"https:\/\/www.anl.gov\/cels\/reference\/ai-for-science-report-2020\" onclick=\"_gaq.push(['_trackEvent', 'outbound-article', 'https:\/\/www.anl.gov\/cels\/reference\/ai-for-science-report-2020', 'AI for Science Report of 2020']);\" >AI for Science Report of 2020<\/a>.<\/p>Computing Facilities are upgrading to provide scientists the tools to engage with the latest advances in machine learning. I recently visited NERSC&#8217;s Perlmutter supercomputer, and it is <a href=\"https:\/\/www.nersc.gov\/users\/training\/events\/inside-perlmutter-a100-gpu\/\" onclick=\"_gaq.push(['_trackEvent', 'outbound-article', 'https:\/\/www.nersc.gov\/users\/training\/events\/inside-perlmutter-a100-gpu\/', 'LOADED with GPU for AI training']);\" >LOADED with GPU for AI training<\/a>.<\/p>\n<div id=\"attachment_3314\" style=\"width: 327px\" class=\"wp-caption aligncenter\"><a href=\"http:\/\/antoine.wojdyla.fr\/blog\/wp-content\/uploads\/ECEP_NERSC_A100s.jpg\"><img loading=\"lazy\" decoding=\"async\" aria-describedby=\"caption-attachment-3314\" class=\"wp-image-3314\" src=\"http:\/\/antoine.wojdyla.fr\/blog\/wp-content\/uploads\/ECEP_NERSC_A100s-768x1024.jpg\" alt=\"\" width=\"317\" height=\"422\" srcset=\"http:\/\/antoine.wojdyla.fr\/blog\/wp-content\/uploads\/ECEP_NERSC_A100s-768x1024.jpg 768w, http:\/\/antoine.wojdyla.fr\/blog\/wp-content\/uploads\/ECEP_NERSC_A100s-225x300.jpg 225w, http:\/\/antoine.wojdyla.fr\/blog\/wp-content\/uploads\/ECEP_NERSC_A100s.jpg 1400w\" sizes=\"auto, (max-width: 317px) 100vw, 317px\" \/><\/a><\/p>\n<p id=\"caption-attachment-3314\" class=\"wp-caption-text\">A rack of Tesla A100 from the Perlmutter supercomputer at NERSC\/Berkeley Lab<\/p>\n<\/div><p>Meanwhile, companies with large computing capabilities are making interesting forays in using AI for science, for instance Meta, which is developing <a href=\"https:\/\/ai.meta.com\/research\/impact\/open-catalyst\/\" onclick=\"_gaq.push(['_trackEvent', 'outbound-article', 'https:\/\/ai.meta.com\/research\/impact\/open-catalyst\/', 'OpenCatalyst']);\" >OpenCatalyst<\/a> in collaboration with Carnegie-Mellon University, where the goal is to create AI models to speed up the study of catalysts, which are generally very computer-intensive (see the Berkeley Lab <a href=\"https:\/\/next-gen.materialsproject.org\/\" onclick=\"_gaq.push(['_trackEvent', 'outbound-article', 'https:\/\/next-gen.materialsproject.org\/', 'Materials Project']);\" >Materials Project<\/a>.) Now the cool part is to verify these results using x-ray diffraction at a synchrotron facilities. Something a little similar happened with AlphaFold\u00a0where newly derived\u00a0structure may need to be tested with x-rays at the Advanced Light Source:\u00a0<a href=\"https:\/\/als.lbl.gov\/deep-learning-ai-program-accurately-predicts-key-rotavirus-protein-fold\" onclick=\"_gaq.push(['_trackEvent', 'outbound-article', 'https:\/\/als.lbl.gov\/deep-learning-ai-program-accurately-predicts-key-rotavirus-protein-fold', 'Deep-Learning AI Program Accurately Predicts Key Rotavirus Protein Fold']);\" >Deep-Learning AI Program Accurately Predicts Key Rotavirus Protein Fold<\/a> (ALS News)<\/p><!--more--><\/p>\n<div id=\"attachment_3315\" style=\"width: 383px\" class=\"wp-caption aligncenter\"><a href=\"http:\/\/antoine.wojdyla.fr\/blog\/wp-content\/uploads\/ECEP_NERSC_Cori2-1.jpg\"><img loading=\"lazy\" decoding=\"async\" aria-describedby=\"caption-attachment-3315\" class=\"wp-image-3315 \" src=\"http:\/\/antoine.wojdyla.fr\/blog\/wp-content\/uploads\/ECEP_NERSC_Cori2-1-1024x768.jpg\" alt=\"\" width=\"373\" height=\"280\" srcset=\"http:\/\/antoine.wojdyla.fr\/blog\/wp-content\/uploads\/ECEP_NERSC_Cori2-1-1024x768.jpg 1024w, http:\/\/antoine.wojdyla.fr\/blog\/wp-content\/uploads\/ECEP_NERSC_Cori2-1-300x225.jpg 300w, http:\/\/antoine.wojdyla.fr\/blog\/wp-content\/uploads\/ECEP_NERSC_Cori2-1-768x576.jpg 768w, http:\/\/antoine.wojdyla.fr\/blog\/wp-content\/uploads\/ECEP_NERSC_Cori2-1.jpg 2016w\" sizes=\"auto, (max-width: 373px) 100vw, 373px\" \/><\/a><\/p>\n<p id=\"caption-attachment-3315\" class=\"wp-caption-text\">NERSC&#8217;s <a href=\"https:\/\/docs.nersc.gov\/systems\/cori\/\" onclick=\"_gaq.push(['_trackEvent', 'outbound-article', 'https:\/\/docs.nersc.gov\/systems\/cori\/', 'Cori']);\" >Cori<\/a> supercomputer at Berkeley Lab (<a href=\"https:\/\/www.top500.org\/lists\/top500\/2016\/11\/\" onclick=\"_gaq.push(['_trackEvent', 'outbound-article', 'https:\/\/www.top500.org\/lists\/top500\/2016\/11\/', 'previously in the Top 5']);\" >previously in the Top 5<\/a> of the TOP500 ranking of supercomputers), in August 2023 right after its <a href=\"https:\/\/docs.nersc.gov\/systems\/cori\/migrate_to_perlmutter\/\" onclick=\"_gaq.push(['_trackEvent', 'outbound-article', 'https:\/\/docs.nersc.gov\/systems\/cori\/migrate_to_perlmutter\/', 'decommissioning in\u00a0May 2023']);\" >decommissioning in\u00a0May 2023<\/a><\/p>\n<\/div>\n<h3>Aurora<\/h3><p>Earlier this year I was lucky to visit the rooms of <a href=\"https:\/\/www.alcf.anl.gov\/aurora\" onclick=\"_gaq.push(['_trackEvent', 'outbound-article', 'https:\/\/www.alcf.anl.gov\/aurora', 'Aurora']);\" >Aurora<\/a>, an exascale computer facility currently being commissioned at Argonne National Laboratory. That is a BEAST, but contrary to NERSC&#8217;s computer, this one is part of the Leadership Computing Facility flavor of DOE supercomputers, and it is generally not open to external users.<\/p>\n<div id=\"attachment_3316\" style=\"width: 413px\" class=\"wp-caption aligncenter\"><a href=\"http:\/\/antoine.wojdyla.fr\/blog\/wp-content\/uploads\/IMG_2252.jpg\"><img loading=\"lazy\" decoding=\"async\" aria-describedby=\"caption-attachment-3316\" class=\"wp-image-3316 \" src=\"http:\/\/antoine.wojdyla.fr\/blog\/wp-content\/uploads\/IMG_2252-1024x799.jpg\" alt=\"\" width=\"403\" height=\"314\" srcset=\"http:\/\/antoine.wojdyla.fr\/blog\/wp-content\/uploads\/IMG_2252-1024x799.jpg 1024w, http:\/\/antoine.wojdyla.fr\/blog\/wp-content\/uploads\/IMG_2252-300x234.jpg 300w, http:\/\/antoine.wojdyla.fr\/blog\/wp-content\/uploads\/IMG_2252-768x599.jpg 768w, http:\/\/antoine.wojdyla.fr\/blog\/wp-content\/uploads\/IMG_2252.jpg 1689w\" sizes=\"auto, (max-width: 403px) 100vw, 403px\" \/><\/a><\/p>\n<p id=\"caption-attachment-3316\" class=\"wp-caption-text\">Aurora room at Argonne National Laboratory (April 2023)<\/p>\n<\/div>\n","protected":false},"excerpt":{"rendered":"<p>There&#8217;s a lot of things happening on the front of AI for Big Science (AI for large scale facilities, such as synchrotrons.)The recently published DOE report in AI for Science, Energy, and Security Report provides interesting insights, and a much-needed update to the\u00a0AI for Science Report of 2020.Computing Facilities are upgrading to provide scientists the [&hellip;]<\/p>\n","protected":false},"author":1,"featured_media":0,"comment_status":"closed","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[41,11,14,16,9,5],"tags":[],"class_list":["post-3312","post","type-post","status-publish","format-standard","hentry","category-berkeley-lab","category-english","category-projects","category-resources","category-science","category-science-life"],"_links":{"self":[{"href":"http:\/\/antoine.wojdyla.fr\/blog\/wp-json\/wp\/v2\/posts\/3312","targetHints":{"allow":["GET"]}}],"collection":[{"href":"http:\/\/antoine.wojdyla.fr\/blog\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"http:\/\/antoine.wojdyla.fr\/blog\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"http:\/\/antoine.wojdyla.fr\/blog\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"http:\/\/antoine.wojdyla.fr\/blog\/wp-json\/wp\/v2\/comments?post=3312"}],"version-history":[{"count":1,"href":"http:\/\/antoine.wojdyla.fr\/blog\/wp-json\/wp\/v2\/posts\/3312\/revisions"}],"predecessor-version":[{"id":3329,"href":"http:\/\/antoine.wojdyla.fr\/blog\/wp-json\/wp\/v2\/posts\/3312\/revisions\/3329"}],"wp:attachment":[{"href":"http:\/\/antoine.wojdyla.fr\/blog\/wp-json\/wp\/v2\/media?parent=3312"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"http:\/\/antoine.wojdyla.fr\/blog\/wp-json\/wp\/v2\/categories?post=3312"},{"taxonomy":"post_tag","embeddable":true,"href":"http:\/\/antoine.wojdyla.fr\/blog\/wp-json\/wp\/v2\/tags?post=3312"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}