IiNkqubo zoBuchule boBuchule (AI) ziqhuba uphando kwiKhemistri ngokuZimela  

Izazinzulu zidibanise ngempumelelo izixhobo ze-AI zamva nje (umz. GPT-4) kunye ne-automation ukuphuhlisa 'iinkqubo' ezikwaziyo ukuziyila, ukucwangcisa kunye nokwenza imifuniselo enzima yemichiza. 'I-Coscientist' kunye 'neChemCrow' zimbini iinkqubo ezisekwe kwi-AI eziphuhliswe kutsha nje ezibonisa amandla avelayo. Iqhutywa yi-GPT-4 (uhlobo lwamva nje lwe-AI ye-OpenAI), i-Coscientist ibonise ukuqiqa okuphambili kunye nobuchule bokuyila bokulinga. I-ChemCrow izenzele ngokufanelekileyo iseti yemisebenzi kwaye yafunyanwa kwaye yafunyanwa kunye nokuhlanganiswa kweearhente zeekhemikhali. 'I-Coscientist' kunye 'neChemCrow' zibonelela ngendlela entsha yokuqhuba uphando ngokubambisana ngoomatshini kwaye banokuza luncedo ekwenzeni imisebenzi yovavanyo kwiilabhoratri zerobhothi ezizenzekelayo.  

Ukuvelisa AI Imalunga nokudalwa okanye ukuveliswa kwemixholo emitsha ngu a ikhompyutha inkqubo. IToliki kaGoogle eyabakho kwiminyaka eyi-17 eyadlulayo ngo-2007 ngumzekelo wokuvelisa kukubhadla okungeyonyani (AI). Ivelisa iinguqulelo (imveliso) ukusuka kulwimi olunikelweyo (igalelo). OpenAndi NcokolaGPT IMicrosoft ICopilot, Uphando Bard, Meta (eyayisakuba nguFacebook) 's Llama , Elon Musk's Yeha etc zezinye ezibalulekileyo AI izixhobo ezikhoyo ngoku.  

I-ChatGPT, eyaphehlelelwa kunyaka ophelileyo nge-30 kaNovemba ka-2022, sele idume kakhulu. Kuthiwa ifumene abasebenzisi abazizigidi ezi-1 phakathi kweentsuku ezi-5 kunye nabasebenzisi benyanga abazizigidi ezili-100 kwiinyanga ezimbini. I-ChatGPT isekwe kwimodeli yolwimi olukhulu (LLM). Umgaqo ophambili ngu ulwimi ukwenza umzekelo okt ukuqeqesha kwangaphambili imodeli ngedatha ukuze imodeli iqikelele okuza kulandela kwizivakalisi xa ucelwa. Imodeli yolwimi (LM) ngoko ke yenza uqikelelo olunokwenzeka lwegama elilandelayo kulwimi lwendalo olunikwe elandulela (ama) . Xa isekwe kuthungelwano lwe-neural, ibizwa ngokuba 'yimodeli yolwimi lwenethiwekhi ye-neural' apho idatha icutshungulwa ngendlela efana nobuchopho bomntu. Imodeli yolwimi olukhulu (LLM) ngumzekelo omkhulu onokwenza imisebenzi eyahlukeneyo yolwimi lwendalo ukulungiselela ukuqonda nokuveliswa kolwimi ngokwenjongo ngokubanzi. Umguquli yi-neural network architecture esetyenziselwa ukwakha iChatGPT. Igama 'GPT' sisifinyezo se-'Generative pre-trained Transformer'. I-OpenAI usebenzisa iimodeli zolwimi ezinkulu ezisekwe kwisiguquli.  

I-GPT-4, inguqulelo yesine ye-ChatGPT, yakhutshwa nge-13 Matshi 2023. Ngokungafaniyo neenguqulelo zangaphambili ezamkela kuphela igalelo lombhalo, i-GPT-4 yamkela zombini igalelo lomfanekiso kunye nokubhaliweyo (kungoko isimaphambili Incoko asisetyenziswa kuguqulelo lwesine). Yimodeli enkulu ye-multimodal. GPT-4 Turbo, yasungulwa nge-06 Novemba 2023, yinguqulelo ephuculweyo nenamandla ngakumbi ye-GPT-4.  

Isazi ngenzululwazi yenziwe ngeemodyuli ezintlanu ezisebenzisanayo: umcwangcisi, umkhangeli wewebhu, ukuphunyezwa kwekhowudi, uxwebhu kunye nokuzenzekelayo. Ezi modyuli zitshintshiselana ngemiyalezo enye nenye kukhangelo lwewebhu kunye namaxwebhu, ukwenziwa kwekhowudi kunye nokusebenza kwemifuniselo. Unxibelelwano lungokwemiyalelo emine – 'GOOGLE', 'PYTHON', 'DOCUMENTATION' kunye ne'EXPERIMENT'.  

Imodyuli yesicwangcisi yeyona modyuli iphambili. Iqhutywa yi-GPT-4 kwaye inikwe umsebenzi wokucwangcisa. Ngokusekelwe kwisicatshulwa esilula sentlungu evela kumsebenzisi, umcwangcisi ukhupha imiyalelo eyimfuneko kwezinye iimodyuli zokuqokelela ulwazi. Imodyuli yomkhangeli wewebhu ekwayiLLM ibhengezwa ngumyalelo kaGOOGLE ukukhangela i-intanethi kunye neentshukumo ezihambelanayo zocwangciso olusebenzayo. Imodyuli yokwenziwa kwekhowudi yenza ukuphunyezwa kwekhowudi ngomyalelo wePYTHON. Le modyuli ayisebenzisi nayiphi na iLLM. Imodyuli yoxwebhu isebenza ngomyalelo woXwebhu ukufumana kwakhona kunye nokushwankathela amaxwebhu ayimfuneko. Ngokusekwe koku, imodyuli yesicwangcisi ibhengeza EXPERIMENT umyalelo kwimodyuli yokuzenzekela yokusebenza kovavanyo.  

Ngexesha elifanelekileyo, Isazi ngenzululwazi iipilisi zeentlungu ezidityanisiweyo iparacetamol kunye neaspirin kunye ne eziphilayo Iimolekyuli ze-nitroaniline kunye ne-phenolphthalein kunye nezinye iimolekyuli ezininzi ezaziwayo ngokuchanekileyo. Imodyuli yesicwangcisi inokwandisa iimpendulo zezona zivuno zokusabela ezingcono.  

Kwesinye isifundo, i-arhente yekhemistri ye-LLM ChemCrow icwangciswe ngokuzimeleyo kwaye yadityaniswa into yokugxotha izinambuzane, i-organocatalysts ezintathu, kwaye ikhokele ukufunyanwa kwenoveli yechromophore. IChemCrow yayisebenza ngokuzenzekela kwimisebenzi eyahlukeneyo yeekhemikhali.  

Ababini aba-eziphilayoIinkqubo zobukrelekrele ezenziweyo, Iingcali zenzululwazi kwaye ChemCrow bonisa amandla avelayo okucwangcisa okuzimeleyo kunye nokwenza imisebenzi yekhemikhali yokudibanisa iimolekyuli ezaziwayo kunye nokufunyanwa kweemolekyuli ezintsha. Banengqiqo ehambele phambili, ukusombulula iingxaki kunye nesakhono soyilo sovavanyo esinokuza luncedo kuphando lwemichiza.  

Iinkqubo ezinjalo ze-arhente ze-AI zingasetyenziswa ngabantu abangezongcali ukwenza imisebenzi yesiqhelo kwi-chemistry ngaloo ndlela kuncitshiswe iindleko kunye nemizamo. Kananjalo banakho ukukhawulezisa ukufunyanwa kweemolekyuli ezintsha  

*** 

Iingxelo:  

1. Boiko, DA, kunyel 2023. Uphando lwekhemikhali oluzimeleyo oluneemodeli ezinkulu zolwimi. Indalo 624, 570-578. Ipapashwe: 20 December 2023. DOI: https://doi.org/10.1038/s41586-023-06792-0  
2. IYunivesithi yaseCarnegie Mellon ye-2023 Iindaba - i-CMU-Eyilwe ngobukrelekrele be-Coscientist ye-Artificially in Automates Scientific Discovery. Ithunyelwe nge-20 kuDisemba 2023. Ifumaneka apha https://www.cmu.edu/news/stories/archives/2023/december/cmu-designed-artificially-intelligent-coscientist-automates-scientific-discovery  
3. Bran AM, okqhubekayo 2023. I-ChemCrow: Ukwandisa iimodeli zolwimi olukhulu kunye nezixhobo zekhemistri. arXiv:2304.05376v5. DOI: https://doi.org/10.48550/arXiv.2304.05376 

*** 

Iintetho zentshayelelo nge-AI:

***