Byagenze bite
Gufungura Inkomoko Kubwawe uratangaza ko Microsoft Ubushakashatsi bwa AI kubumenyi hamwe nitsinda rya CP2K mukigo cya sisitemu yo gutezimbere igezweho bahujije icyerekezo cya Skala AI muri CP2K. Raporo ivuga ko Skala ikoresha urusobe rw'imitsi mu kwerekana imikoranire hagati y’ubucucike bwa elegitoronike kandi yarushije imikorere ya meta-GGA ndetse n’imikorere ya Hybrid ku bipimo byavuzwe ku giciro cyo kubara. Ivuga kandi ko imirimo yagenzuwe mu mibare ikanasobanurwa hagati muri Kanama 2026 arXiv.
Gufungura Inkomoko Kubwawe uratangaza ko Microsoft Ubushakashatsi bwinjije moderi ya Skala AI muri CP2K, urubuga rufunguye-rukoreshwa muri kwant-chimie hamwe na leta ya fiziki ikomeye. Raporo isobanura Skala nk'imikorere ya AI ishingiye ku guhana-guhuza ibikorwa byakozwe na Microsoft Ubushakashatsi bwa AI ku bumenyi kandi buvuga ko kwishyira hamwe ari kavukire ya CP2K. Bivugwa ko iki gikorwa cyakozwe binyuze mu mbaraga zahurijwe hamwe zatangiye mu ntangiriro za 2026 hagati ya Microsoft Ubushakashatsi AI ku bumenyi n’itsinda rya CP2K mu kigo gishinzwe ubumenyi bwimbitse, igice cya Helmholtz-Zentrum Dresden-Rossendorf. Ibi birego biva muri Open Source Kuri Wowe raporo kandi ntabwo byemejwe hano.
Iyo ngingo ivuga ko Skala itandukanye n’imyumvire gakondo igereranya ikoreshwa hifashishijwe umuyoboro w’imitsi watojwe kwerekana uburyo ubucucike bwa electron mu turere dutandukanye twa atome bugira ingaruka. Mu bisobanuro bya raporo, icyo gishushanyo cyemerera Skala guhagararira imikoranire ya elegitoronike kandi ifite ukuri kurenza meta-GGA gakondo hamwe n’imikorere ya Hybrid ku bipimo byatanzwe. Gufungura Inkomoko Kubwawe kandi uratangaza ko Skala yageze kubisubizo ku giciro gito cyo kubara. Inkomoko ntisubiramo ibipimo ngenderwaho, amanota yumubare, imiterere yo kugereranya cyangwa amakuru yibikoresho bikenewe kugirango dusuzume ikirego mu bwigenge.
Ukurikije Gufungura Inkomoko Kuri wewe, guhuza Skala hamwe nubushobozi bwa CP2K bwo gutunganya-gutunganya bigamije gushyigikira kwant-mikoranike yigana ya sisitemu ikora irimo ibihumbi n'ibihumbi kugeza kuri atome. Raporo itanga poroteyine, ibikoresho bya batiri, semiconductor na catalizator nkurugero rwubwoko bwa sisitemu zishobora kugirira akamaro. Irerekana ibi nkubushobozi bwo kwishyira hamwe, ntabwo ari ibimenyetso byerekana ko buri sisitemu imaze kwigana neza na Skala. Ingingo ntisobanura ibikorwa byihariye byoherejwe mu nganda cyangwa siyanse.
Raporo ivuga ko ayo matsinda yakoze suite y’ibizamini byo kugenzura imibare kandi itangaza ibyavuye mu kwishyira hamwe hagati ya Kanama 2026 arXiv icapiro ryiswe “Gushyira mu bikorwa Molecular yo gushyira mu bikorwa imashini yize ya Skala yo guhanahana amakuru muri CP2K binyuze muri GauXC.” Gufungura Inkomoko Kubwawe kandi uratangaza ko ahazaza Skala izasohoka muri CP2K biteganijwe ko yagura inkunga yibikoresho byigihe, harimo ibyuma na semiconductor, hamwe namazi. Ingingo ntisobanura itariki yo gusohora, nimero ya verisiyo cyangwa uburyo bwo kuboneka kubyo byateganijwe byongeweho.
Ibisobanuro birambuye: opensourceforu.com ↗
Impamvu ari ngombwa
Kwishyira hamwe kwatanzwe bishobora gutuma imashini yiga elegitoroniki-imiterere yo kubara ikoreshwa cyane murwego rwashizweho rwuzuye-rwigana. Niba amakuru avugwa neza hamwe nibyiza byigiciro afite akazi kenshi, abashakashatsi biga proteine, ibikoresho bya bateri, semiconductor na catalizator barashobora kwigana sisitemu nini nini. Inkomoko ntabwo yigenga yigenga ibipimo ngenderwaho, umusaruro witeguye cyangwa imikorere ifatika kubakoresha runaka.
Impinduka zavuzwe zifite akamaro kuko ishyira imashini yize imashini yuburyo bwa elegitoronike-imiterere imbere yisoko-ifunguye isanzwe ikoreshwa muri comptabilite ya chimie nibikoresho siyanse. Ibyo birashobora kuba ingaruka nziza kuruta gutangaza icyitegererezo cyihariye: abashakashatsi bakora muri CP2K barashobora gusuzuma Skala mubikorwa bisanzwe bizwi kandi hamwe nibikorwa remezo bihuriweho. Agaciro gafatika, ariko, biterwa nuburyo kwishyira hamwe bihamye, byanditse kandi bigerwaho mumagambo yemerera gukoresha ubushakashatsi bwagutse.
Niba amakuru yatangajwe neza hamwe no kubara-ibiciro bisaba kubyara, guhuza bishobora kunoza igipimo cyangwa inshuro zigereranya zikoreshwa mugukora iperereza kumyitwarire ya molekile nibintu. Ibigereranyo binini birashobora gukemura ibibazo mubice nko gushushanya bateri, iterambere rya catalizator hamwe nubushakashatsi bwa semiconductor, aho sisitemu ijyanye nayo ishobora kuba irimo atome nyinshi zikorana. Inkomoko yita uturere dusaba ariko ntabwo itanga raporo yubuvumbuzi, ibikoresho byanonosowe, ibikoresho bishya cyangwa ibyavuye mubuvuzi cyangwa mubucuruzi bivuye mubufatanye.
Konti yingingo irerekana kandi inzira yagutse ya AI muri comptabilite yubumenyi: kwinjiza ibice byize muri software igizwe numubare aho gusimbuza ibyuzuye byuzuye. CP2K ikomeje kuba urubuga rwasobanuwe muri raporo, mugihe Skala itanga imashini yize guhana-guhuza imikorere. Iri gabana rishobora kwemerera abahanga ba domaine kugereranya ibice bya AI nibigereranyo bisanzwe, ariko inkomoko ntisobanura uburyo abakoresha bahitamo hagati yuburyo, uko kunanirwa kugaragara cyangwa uko gushidikanya kugaragara.
Ibimenyetso bikomeye byatanzwe ninkomoko ni raporo yatangajwe imbaraga ziterambere ziterambere, kwishyira hamwe kavukire no kubaho kwipimisha ryumubare hamwe nigishushanyo mbonera. Ibyo bintu bishyiraho ubushakashatsi bufatika niterambere ryiterambere rya software, ariko ntabwo byemeza ubwigenge imikorere. Raporo ntabwo itanga amabwiriza yimyororokere, isuzuma ryigenga, ibisabwa byumutungo, isesengura ryamakosa cyangwa ibimenyetso byerekana ko Skala idahwema kurenza uburyo busanzwe murwego rwose rwa sisitemu zavuzwe.
Uburyo bukoreshwa: Uburyo bukora
Shakisha ikoranabuhanga ryihishe inyuma yiri terambere.
Which component of an AI application is the machine-learning model itself?
Ibyo kureba
Ibikurikira bizasobanurwa neza nibisobanuro birambuye byo kugenzura umubare, kwigana kwigenga kubisubizo byatangajwe, hamwe nigihe hamwe nubunini bwateganijwe bwo gushyigikirwa buri gihe hamwe nibisukari. Abakoresha bazakenera kandi amakuru asobanutse kubyerekeye ibisabwa byo kubara, sisitemu zishyigikiwe, inyandiko, uruhushya ndetse niba kwishyira hamwe biboneka mugusohora kwa CP2K ihamye. Gufungura Inkomoko Kuriwe ntabwo utanga ibisobanuro birambuye.
Ikintu cya mbere cyo kureba ni ibimenyetso bifatika. Ikurikiranwa ryingirakamaro ryatanga raporo yerekana ibipimo ngenderwaho, ibipimo by'amakosa, ibipimo fatizo, ibipimo byo kubara ibiciro hamwe n'ibizamini byihishe inyuma yo kuvuga ko Skala iruta meta-GGA n'imikorere ya Hybrid. Ibisubizo byigenga byatanzwe nabashakashatsi batagize uruhare mubufatanye byatangajwe byaba ingenzi cyane mugutandukanya iterambere ryagutse kubikorwa bigarukira kubipimo byatoranijwe.
Kuboneka nikindi kibazo kidakemutse. Gufungura Inkomoko Kuri Wowe uvuga ko Skala yinjijwe muri CP2K, ariko ntisobanura verisiyo ijyanye na CP2K, niba code imaze gukururwa kumugaragaro, ibyo biterwa nibisabwa cyangwa niba uburemere bw'icyitegererezo no kubishyira mu bikorwa bitwara ibyangombwa bitandukanye. Inyandiko, uburyo bwo kwishyiriraho hamwe ningero byerekana niba akazi gakoreshwa nabashakashatsi hanze yubufatanye.
Guteganya kwaguka kubintu byamazi nibisukari bikwiye kwitabwaho cyane. Inkomoko igaragaza neza ibyuma, semiconductor hamwe namazi nkibice bizaza byunganira, ariko ntabwo itanga gahunda cyangwa ibisobanuro bya tekiniki. Izi sisitemu zirashobora guteza ibibazo bitandukanye byo kwerekana no kwemeza biturutse kuri sisitemu ya molekile, bityo rero ibizakurikiraho ntibigomba gufatwa nkibyashizweho kugeza igihe ibyashyizwe mubikorwa nibisubizo byatangajwe kandi bikageragezwa.
Hanyuma, abakoresha bazakenera ibimenyetso byerekeranye nakazi keza aho gukora ibipimo byonyine. Ibibazo byingenzi birimo uburyo Skala yitwara mumashusho maremare yingirakamaro, ingano yibikoresho hamwe nibikoresho bisa bisaba, uko ibisubizo bigereranywa nuburyo bwashyizweho mubijyanye no kororoka, nuburyo abahanga bashobora kumenya imanza aho imikorere yize itizewe. Nta na kimwe muri ibyo bibazo cyashubijwe muri Open Source Kuri Wowe raporo, bityo rero kwishyira hamwe bigomba gufatwa nkigikorwa cyingenzi cyatanzwe cyubushakashatsi-software hamwe nibisobanuro bifatika ariko bitaremezwa.