Overview
AI inofanotaura kuti ndezvipi zvitsva zvingave zviripo, zvigadzikane, uye zviine zvivakwa zvinobatsira, zvichideredza zvakanyanya kutsvaga kuburikidza nenzvimbo iri pedyo-isingaperi yezvinobvira makomisheni. Izvo zvine basa kumabhatiri, masero ezuva, superconductors, uye catalysts uko kutsvaga zvinhu chaiko kunogona kutora makumi emakore.
AI mune Materials Discovery inotarisa pane inoshanda kuendesa: kushandura modhi kugona kuita yakavimbika yemazuva ese workflows inopa kukosha kunoyerwa.
Deep Dive
Sechinyakare, kuwana chinhu chitsva kwaireva kunonoka kuedza-uye-kukanganisa synthesis kana inodhura quantum-mechanical simulations. AI inomhanyisa magumo ese. Graph neural network inomiririra kristaro semaatomu (node) uye mabhondi (micheto) uye dzidza kufanotaura zvivakwa zvakaita sesimba rekugadzira, bhendi gap, kana conductivity mumamilliseconds kwete maawa e density functional theory. Mamodheru ekugadzira anokurudzira zvimiro zvitsva zvevamiriri, uye AI inoratidzira mamirioni adzo kuratidza mashoma akakodzera kugadzira mulabhu. Muna 2023 DeepMind's GNoME yakashuma mazana ezviuru zvemakristasi akafanotaurwa akatsiga, uye Microsoft's MatterGen yakaratidza kugadzira zvimiro zvakamisikidzwa pane zvaidiwa. Kuwedzera mamodheru aya anodyisa maLab ekuzvityaira, uko marobhoti anogadzira uye anoyedza ivo vepamusoro vanosarudza otomatiki.
Technical Insight
Mamodheru emhando dzekristaro senge magirafu network anoremekedza masimidhi efizikisi: haachinji pakuturikira, kutenderedza, kana kunyorazve maatomu, izvo zvinoita kuti kufanotaura kuenderane uye kuve nedata. Iyo pombi yakajairwa inoshandisa inokurumidza neural surrogate kuisa mamirioni evavhoti, yobva yasimbisa zvakanakisa nedensity inoshanda dzidziso, uye pakupedzisira inogadzirisa mashoma. Iyi funnel inoshandura kutsvaga kusingagoneki kuita ipfupi runyoro uchichengeta yakaomesesa fizikisi cheki kumagumo.
Kubata AI muKuwanikwa Kwezvinhu
AI inofanotaura kuti ndezvipi zvitsva zvingave zviripo, zvigadzikane, uye zviine zvivakwa zvinobatsira, zvichideredza zvakanyanya kutsvaga kuburikidza nenzvimbo iri pedyo-isingaperi yezvinobvira makomisheni. Izvo zvine basa kumabhatiri, masero ezuva, superconductors, uye catalysts uko kutsvaga zvinhu chaiko kunogona kutora makumi emakore. AI mune Materials Discovery inotarisa pane inoshanda kuendesa: kushandura modhi kugona kuita yakavimbika yemazuva ese workflows inopa kukosha kunoyerwa. Kuvaka kunzwisisa kwakadzama, tora AI muKuwanikwa Kwezvinhu semuenzaniso wekushandisa, kwete chinhu chimwe chete: tsanangura zvinodikanwa, kujekesa fungidziro, uye patsanura zvinogona kuitwa nehurongwa hwakavimbika kubva kune zvichiri kuda kutonga kwenyanzvi.
Mukuita, zvikwata zvakasimba zvinoshandisa AI muZvishandiso Discovery zvinotarisa pane mafambiro ebasa, kwete madhimoni emuenzaniso, uye tsanangura nzvimbo dzekutarisa dzevanhu kare. Ivo vanonyora zvakajeka maitiro ebudiriro, bvunzo vachipokana ne data rechokwadi uye mafambiro ebasa, uye iterate zvichibva pane zvakacherechedzwa maitiro ekutadza kwete kuhwina-nguva imwe chete yebhenji. Apa ndipo apo kunzwisisa kwe theoretical kunoshanduka kuve kugona kwakasimba pane chigadzirwa, mutemo, uye mashandiro.
Kushandisa-level dhizaini inosarudza kana AI inovandudza mhedzisiro chaiyo. Panguva imwecheteyo, Kuita otomatiki nzira yakaputsika inogona kuwedzera matambudziko aripo. Nzira yakatsiga ndeyekubatanidza kukurumidza kuyedza nekutonga: mhanyisa vatyairi vendege, tora humbowo, buritsa matanda esarudzo, uye urambe uchivandudza chengetedzo semaitiro emuenzaniso, zvinotarisirwa nemushandisi, uye zvinodikanwa zvekutonga.
Strategic Impact
Kushandisa-level dhizaini inosarudza kana AI inovandudza mhedzisiro chaiyo.
Kushandisa-level dhizaini inosarudza kana AI inovandudza mhedzisiro chaiyo. Mukutumirwa kwemhando yepamusoro, izvi zvinoshandurirwa kuita mitemo inoyerwa yekushanda, miganhu yevaridzi, uye tsika dzekudzokorora dzinodzokororwa kuitira kuti zvikwata zvikwire kuvimba pane kukwidza kusajeka.
Yakanaka workflow kusanganisa inogadzira budiriro inowanikwa vashandisi vanogona kuvimba.
Yakanaka workflow kusanganisa inogadzira budiriro inowanikwa vashandisi vanogona kuvimba. Mukutumirwa kwemhando yepamusoro, izvi zvinoshandurirwa kuita mitemo inoyerwa yekushanda, miganhu yevaridzi, uye tsika dzekudzokorora dzinodzokororwa kuitira kuti zvikwata zvikwire kuvimba pane kukwidza kusajeka.
Makesi ekushandisa akakwenenzverwa anoderedza kupera kuneta uye njodzi yekushandisa.
Makesi ekushandisa akakwenenzverwa anoderedza kupera kuneta uye njodzi yekushandisa. Mukutumirwa kwemhando yepamusoro, izvi zvinoshandurirwa kuita mitemo inoyerwa yekushanda, miganhu yevaridzi, uye tsika dzekudzokorora dzinodzokororwa kuitira kuti zvikwata zvikwire kuvimba pane kukwidza kusajeka.
Real-World Implementation
DeepMind's GNoME inofanotaura mazana ezviuru zvezvitsva zvakagadzika zvekristaro zvimiro uye kuwedzera zvinozivikanwa zvinhu dhatabhesi.
Muchina-wakadzidza interatomic mikana inomhanya nekukurumidza, padhuze-DFT-chaiyo mamorekuru masimba ealloys uye electrolytes.
Mamodheru ekugadzira seMatterGen achikurudzira makristasi anonangwa kune inodiwa bhendi gap kana magineti chivakwa
Kuzvityaira marabhu (semuenzaniso, iyo A-Lab) uko AI inosarudza vamiriri uye marobhoti anogadzirwa uye anoaratidza akazvimirira.
Maitiro Ekuita
AI muZvinhu Kuwanikwa mukuita
DeepMind's GNoME inofanotaura mazana ezviuru zvezvitsva zvakagadzika zvekristaro zvimiro uye nekuwedzera zvinozivikanwa zvinhu dhatabhesi.
DeepMind's GNoME inofanotaura mazana ezviuru zvezvivakwa zvekristaro zvakagadzika uye kuwedzera zvinozivikanwa dhatabhesi Matimu anowanzo kuwana mhedzisiro iri nani kana achinge atsanangura emhando yepamusoro kumberi, chengetedza nzira yekukwira kwevanhu yemakesi emupendero, uye kuteedzera zvese zvakawanikwa zvechigadzirwa uye mutengo wekukanganisa nekufamba kwenguva.
AI muZvinhu Kuwanikwa mukuita
Muchina-wakadzidza interatomic mikana inomhanya nekukurumidza, padyo-DFT-chaiyo mamorekuru madhinaini emaaloyi uye electrolytes.
Muchina-wakadzidza interatomic mikana inomhanya nekukurumidza, padhuze-DFT-chaiyo mamorekuru ekuchinja kwealloys uye electrolytes Matimu anowanzo kuwana mibairo iri nani kana achinge atsanangura emhando yepamusoro kumberi, chengetedza nzira yekukwira kwevanhu yemakesi emupendero, uye kuteedzera zvese zvakawanikwa zvechigadzirwa uye mutengo wekukanganisa nekufamba kwenguva.
AI muZvinhu Kuwanikwa mukuita
Mamodheru ekugadzira seMatterGen achikurudzira makristasi anonangwa kune inodiwa bhendi gap kana magineti chivakwa.
Mamodheru ekugadzira senge MatterGen inokurudzira makristasi akanangana nebhendi rinodiwa gap kana magineti zvivakwa Matimu anowanzo kuwana mhedzisiro iri nani kana achinge atsanangura emhando yepamusoro kumberi, chengetedza nzira yekukwira kwevanhu yemakesi emupendero, uye kuteedzera zvese zvakawanikwa zvechigadzirwa nemitengo yekukanganisa nekufamba kwenguva.
AI muZvinhu Kuwanikwa mukuita
Kuzvityaira marabhu (semuenzaniso, iyo A-Lab) uko AI inosarudza vamiriri uye marobhoti anogadzirwa uye anoaratidza akazvimirira.
Kuzvityaira maLab (semuenzaniso, iyo A-Lab) uko AI inosarudza vamiriri uye marobhoti kubatanidza uye kuvaratidza vakazvimirira Matimu anowanzo kuwana mhedzisiro iri nani kana achinge atsanangura emhando yepamusoro kumberi, chengetedza nzira yekukwira kwevanhu yemakesi ekumucheto, uye kuteedzera zvese zvakawanikwa zvechigadzirwa uye kukanganisa mutengo nekufamba kwenguva.
Njodzi & Guardrails
Kuita otomatiki nzira yakaputsika inogona kukudza matambudziko aripo.
Matimu anogona kuwedzera otomatiki uye kubvisa kutonga kunodiwa kwevanhu.
Hunhu hunogona kudonha kana zvinobuda zvikasaramba zvichiongororwa.
Implementation Roadmap
Mepu mafambiro ebasa uye ratidza danho repamusoro-soro.
Mepu mafambiro ebasa uye ratidza danho repamusoro-soro. Bata nhanho yega yega segedhi rehumbowo: kana maitiro asina kusangana, imbomira kuburitsa, vhara gaka, uye wobva wawedzera kushandiswa.
Tsanangura nzvimbo dzekutarisa dzevanhu isati yazara otomatiki.
Tsanangura nzvimbo dzekutarisa dzevanhu isati yazara otomatiki. Bata nhanho yega yega segedhi rehumbowo: kana maitiro asina kusangana, imbomira kuburitsa, vhara gaka, uye wobva wawedzera kushandiswa.
Dzidzisa vashandisi pane zvinokurudzira, nzira dzekukwira, uye mhando dzemhando.
Dzidzisa vashandisi pane zvinokurudzira, nzira dzekukwira, uye mhando dzemhando. Bata nhanho yega yega segedhi rehumbowo: kana maitiro asina kusangana, imbomira kuburitsa, vhara gaka, uye wobva wawedzera kushandiswa.
Tevera basa-level zvabuda kuti usimbise kukosha kwakasimba.
Tevera basa-level zvabuda kuti usimbise kukosha kwakasimba. Bata nhanho yega yega segedhi rehumbowo: kana maitiro asina kusangana, imbomira kuburitsa, vhara gaka, uye wobva wawedzera kushandiswa.