Ibikoresho bikomeye byateye imbere mu buhanga mu bya siyansi mu 2022
Amakuru manini n'ibikoresho binini byafashije abahanga mu bya siyansi guhangana n'ubutabire ku rwego runini muri uyu mwaka
naAriana Remmel
Inguzanyo: Ikigo cy’ubuyobozi bwa Oak Ridge muri ORNL
Mudasobwa nini ya Frontier muri Laboratwari y'Igihugu ya Oak Ridge ni yo ya mbere mu mashini nshya zizafasha abahanga mu bya shimi gufata isuzumabumenyi rya molekile rigoye kurusha mbere hose.
Abahanga mu bya siyansi bavumbuye ibintu bikomeye bakoresheje ibikoresho binini cyane mu 2022. Bashingiye ku muco uherutse kugaragara w’ubwenge bw’ubukorano bufite ubushobozi bwo gukoresha imiti, abashakashatsi bateye intambwe nini, bigisha mudasobwa guhanura imiterere ya poroteyine ku rugero rudasanzwe. Muri Nyakanga, isosiyete icunga Alphabet DeepMind yasohoye ububiko bw’amakuru burimo imiterere yaporoteyine hafi ya zose zizwi—Poroteyine zirenga miliyoni 200 zikomoka ku moko arenga miliyoni 100—nk'uko byari byarahanuwe na algorithme yo kwiga imashini AlphaFold. Hanyuma, mu Gushyingo, ikigo cy'ikoranabuhanga Meta cyerekanye iterambere ryacyo mu ikoranabuhanga ryo guhanura poroteyine gikoresheje algorithme ya AI yitwaESMFold. Mu bushakashatsi bwakozwe mbere y’uko hasohoka inyandiko butarasuzumwa n’urungano, abashakashatsi ba Meta bavuze ko algorithme yabo nshya idahuje n’ukuri nka AlphaFold ahubwo ko yihuta. Umuvuduko wongerewe watumye abashakashatsi bashobora guhanura imiterere miliyoni 600 mu byumweru 2 gusa (bioRxiv 2022, DOI:10.1101/2022.07.20.500902).
Inzobere mu binyabuzima zo muri Kaminuza ya Washington (UW) Ishuri ry’Ubuvuzi ziri gufashakwagura ubushobozi bwa mudasobwa mu bijyanye n'ibinyabuzima burenze urugero rw'ibidukikijebinyuze mu kwigisha imashini gutanga ibitekerezo bya poroteyine zihariye kuva ku ntangiriro. David Baker wo muri UW n'ikipe ye bakoze igikoresho gishya cya AI gishobora gushushanya poroteyine binyuze mu kunoza inshuro nyinshi ku buryo bworoshye cyangwa mu kuzuza icyuho kiri hagati y'ibice byatoranijwe by'inyubako isanzwe (Siyansi2022, DOI:10.1126/science.abn2100). Itsinda ryanatangije gahunda nshya, ProteinMPNN, ishobora gutangirira ku miterere ya 3D n'amatsinda y'uduce twinshi twa poroteyine hanyuma ikagena urukurikirane rw'aside amine ikenewe kugira ngo ikoreshwe neza (Siyansi2022, DOI:10.1126/science.add2187;10.1126/science.add1964Izi algorithms zikoresha ikoranabuhanga rya biochemical zishobora gufasha abahanga mu bya siyansi kubaka igishushanyo mbonera cya poroteyine z’ubukorano zishobora gukoreshwa mu bikoresho bishya by’ibinyabuzima n’imiti.
Ifoto: Ian C. Haydon/Ikigo cya UW gishinzwe gushushanya poroteyine
Algorithme zo kwigira ku mashini zirimo gufasha abahanga mu bya siyansi kurota poroteyine nshya bafite imikorere yihariye mu mutwe.
Uko intego z'abahanga mu bya shimi zigenda zikura, ni ko na mudasobwa zikoreshwa mu kwigana isi y'uturemangingo zigenda ziyongera. Muri Laboratwari y'Igihugu ya Oak Ridge (ORNL), abahanga mu bya shimi babonye bwa mbere imwe muri mudasobwa zikomeye cyane zigeze kubakwa.Mudasobwa nini ya ORNL, Frontier, iri mu mashini za mbere zibara ibikorwa birenga quintiliyoni imwe ku isegonda, igice cy’imibare yo kubara. Uwo muvuduko w’ibarura uri ku nshuro eshatu kurusha uwatsinze, supercomputer Fugaku mu Buyapani. Mu mwaka utaha, izindi laboratwari ebyiri zo mu gihugu zirateganya gutangiza mudasobwa za exascale muri Amerika. Ingufu za mudasobwa zigezweho zirenze izi mashini zigezweho zizatuma abahanga mu bya shimi bashobora kwigana sisitemu nini za molekile no ku gihe kirekire. Amakuru yakusanyijwe muri izo moderi ashobora gufasha abashakashatsi gusunika imbibi z’ibishoboka muri shimi mu kugabanya icyuho kiri hagati y’ibisubizo biri mu icupa n’ibishushanyo mbonera byakoreshejwe mu kubishushanya. Theresa Windus, umuhanga mu bya shimi muri Kaminuza ya Leta ya Iowa akaba n’umuyobozi w’umushinga muri Exascale Computing Project, yabwiye C&EN muri Nzeri ati: “Tugeze aho dushobora gutangira kwibaza ibibazo ku bijyanye n’ikintu kibura mu buryo bwacu bw’inyigisho cyangwa moderi zadufasha kwegera icyo igerageza ritubwira ko ari ukuri.” Imikoreshereze y’ibikoresho ikoreshwa kuri mudasobwa za exascale ishobora gufasha abahanga mu bya shimi kuvumbura amasoko mashya y’ibikomoka kuri peteroli no gushushanya ibikoresho bishya bihangana n’imihindagurikire y’ikirere.
Hirya no hino mu gihugu, muri Menlo Park, muri Kaliforuniya, Laboratwari y’Igihugu y’Ubuvuzi ya SLAC irimo gushyirwahoKuvugurura supercool kuri Linac Coherent Light Source (LCLS)Ibyo bishobora gutuma abahanga mu bya shimi babasha kureba mu buryo bwimbitse isi y’atomu na electron yihuta cyane. Iyi nyubako yubatswe ku cyuma cy’ubushyuhe cya kilometero 3, ibice byacyo bikonjeshwa na heliyumu y’amazi kugeza kuri 2 K, kugira ngo hakorwe ubwoko bw’urumuri rwihuta cyane rwitwa X-ray free-electron laser (XFEL). Abahanga mu bya shimi bakoresheje imbaraga z’ibi bikoresho mu gukora filime za molekile zabafashaga kureba ibikorwa byinshi, nko gukora imigozi ya shimi na enzymes za photosynthesis zigiye gukora. Leora Dresselhaus-Marais, umuhanga mu bya shimi ufite gahunda zihuriweho muri Kaminuza ya Stanford na SLAC, yabwiye C&EN muri Nyakanga. Ivugurura rya LCLS rizatuma abahanga mu bya shimi barushaho kunoza ingufu za X-rays igihe ubushobozi bushya buzaba bubonetse mu ntangiriro z’umwaka utaha.
Inguzanyo: Laboratwari y'Igihugu y'Umuvuduko wa SLAC
Laser ya X-ray ya Laboratwari y’Igihugu y’Ubuvuzi ya SLAC yubatswe ku cyuma cy’ubuvuzi cya kilometero 3 kiri i Menlo Park, muri Kaliforuniya.
Muri uyu mwaka, abahanga mu bya siyansi babonye kandi uburyo Telesikope y’ikirere ya James Webb (JWST) yari imaze igihe itegerejwe ishobora kugira imbaraga zo kugaragazaimiterere y'ibinyabutabire mu isanzure ryacuNASA n'abafatanyabikorwa bayo—Ikigo cy'Uburayi gishinzwe iby'ikirere, Ikigo cy'Iby'ikirere cya Kanada, n'Ikigo cy'Ubumenyi bw'Inyenyeri zo mu Ijuru—bamaze gushyira ahagaragara amashusho menshi, kuva ku mafoto meza y'inyenyeri kugeza ku bikumwe by'inyuma by'inyenyeri za kera. Telesikope ya infrared ya miliyari 10 z'amadolari ifite ibikoresho bya siyansi byagenewe gusesengura amateka yimbitse y'isanzure ryacu. Mu myaka ibarirwa muri za mirongo ishize, JWST yamaze kugera ku ntego z'abahanga bayo mu by'ubumenyi, ifata ishusho y'inyenyeri izenguruka nk'uko yagaragaye mu myaka miliyari 4.6 ishize, irimo ibimenyetso bya ogisijeni, neon, n'izindi atome. Abahanga mu bya siyansi banapimye ibimenyetso by'ibicu bishyushye n'urubura ku mubumbe w'isi, batanga amakuru ashobora gufasha abahanga mu by'ikirere gushakisha isi ishobora guturwamo inyuma y'Isi.
Igihe cyo kohereza: Gashyantare-07-2023