Litsamaiso tsa Artificial Intelligence (AI) li Etsa Lipatlisiso ho Chemistry ka Boikemelo  

Bo-rasaense ba atlehile ho kopanya lisebelisoa tsa morao-rao tsa AI (mohlala, GPT-4) le automation ho hlahisa 'litsamaiso' tse khonang ho iketsetsa, ho rera le ho etsa liteko tse rarahaneng tsa lik'hemik'hale. 'Coscientist' le 'ChemCrow' ke litsamaiso tse peli tse thehiloeng ho AI tse ntlafalitsoeng haufinyane tse bonts'ang bokhoni bo hlahang. E khannoa ke GPT-4 (mofuta oa morao-rao oa AI e hlahisang OpenAI), Coscientist e bontšitse bokhoni bo tsoetseng pele ba ho beha mabaka le boqapi ba liteko. ChemCrow e atlehile ho iketsetsa mesebetsi e mengata le ho sibolla le ho kopanya lisebelisoa tsa lik'hemik'hale. 'Coscientist' le 'ChemCrow' li fana ka mokhoa o mocha oa ho etsa lipatlisiso ka kopanelo ka kopanelo le mechini 'me li ka thusa ho etsa mesebetsi ea liteko lilaboratoring tsa liroboto tse ikemetseng.  

E hlahisa AI E mabapi le popo kapa tlhahiso ea litaba tse ncha ka a khomphuteng ya lenaneo. Google Translate e bileng teng lilemo tse 17 tse fetileng ka 2007 ke mohlala oa tlhahiso bohlale ba maiketsetso (AI). E hlahisa liphetolelo (lipoelo) ho tsoa puong ea give (kenyo). OpenAKe nna Buisana le GPT , Microsoft ea Copilot, Google Bard, Meta (eo pele e neng e le Facebook) 's Llama , Elon Musk's Qhekella etc ke tse ling tsa bohlokoa AI lisebelisoa tse teng hona joale.  

ChatGPT, e qalileng selemong se fetileng ka la 30 Pulungoana 2022, e se e tumme haholo. Ho boleloa hore e fumane basebelisi ba limilione tse 1 nakong ea matsatsi a 5 le basebelisi ba khoeli le khoeli ba limilione tse 100 nakong ea likhoeli tse peli. ChatGPT e ipapisitse le mofuta o moholo oa puo (LLM). Molao-motheo oa bohlokoa ke puo mohlala ke hore ho koetlisa mohlala ka data hore mmotlolo a lepe se tlang ka mor'a lipolelo ha a susumetsoa. Ka hona, mohlala oa puo (LM) o etsa hore ho na le monyetla oa ho bolela lentsoe le latelang ka puo ea tlhaho e fanoeng pele ho (ma)lentsoe. Ha e thehiloe ho neural network, e bitsoa 'neural network language model' moo data e sebetsoang ka tsela e kang bokong ba motho. Moetso o moholo oa puo (LLM) ke mohlala o moholo o ka etsang mesebetsi e fapaneng ea ho sebetsana le puo ea tlhaho molemong oa kutloisiso le moloko oa batho. Transformer ke meralo ea neural network e sebelisoang ho aha ChatGPT. Lebitso 'GPT' ke khutsufatso ea 'Generative pre-trained Transformer'. OpenAI e sebedisa dikai tsa dipuo tse kgolo tse thehilweng hodima transfoma.  

GPT-4, Khatiso ea bone ea ChatGPT, e ile ea lokolloa ka la 13 Hlakubele 2023. Ho fapana le liphetolelo tsa pejana tse amohelang mongolo feela, GPT-4 e amohela litlhaloso tsa litšoantšo le mongolo (ka hona, sehlongwapele sa Chat ha se sebelisoe mofuta oa bone). Ke mohlala o moholo oa li-multimodal. GPT-4 Turbo, e qalileng ka la 06 Pulungoana 2023, ke mofuta o ntlafalitsoeng le o matla ho feta oa GPT-4.  

Coscientist e entsoe ka li-module tse hlano tse sebelisanang: moralo, sebatli sa marang-rang, ts'ebetso ea khoutu, litokomane le boiketsetso. Li-module tsena li fapanyetsana melaetsa bakeng sa ho batla webosaete le litokomane, ho etsa khoutu le ho etsa liteko. Tšebelisano e etsoa ka litaelo tse 'ne - 'GOOGLE', 'PYTHON', 'DOCUMENTATION' le 'EXPERIMENT'.  

Mojule oa moralo ke mojule oa mantlha. E tsamaisoa ke GPT-4 mme e filoe mosebetsi oa ho rera. E ipapisitse le molaetsa o bonolo oa mongolo o tsoang ho mosebelisi, moralo o fana ka litaelo tse hlokahalang ho li-module tse ling ho bokella tsebo. Web searcher module eo hape e leng LLM e sebelisoa ke GOOGLE taelo ea ho batla marang-rang le likaroloana tse amanang le tsona bakeng sa moralo o sebetsang. Mojule oa ts'ebetso ea khoutu o etsa ts'ebetso ea khoutu ka taelo ea PYTHON. Mojule ona ha o sebelise LLM efe kapa efe. Mojule oa litokomane o sebetsa ka taelo ea DOCUMENTATION ho fumana le ho akaretsa litokomane tse hlokahalang. E ipapisitse le sena, mojule oa moralo o kopa taelo ea EXPERIMENT ho mojule oa othomathike bakeng sa ts'ebetso ea liteko.  

Ka nako e nepahetseng, Coscientist lipilisi tse kokobetsang bohloko tse entsoeng ka paracetamol le aspirin le manyolo limolek'hule tsa nitroaniline le phenolphthalein le limolek'hule tse ling tse ngata tse tsejoang ka nepo. Mojule oa moralo o ka ntlafatsa karabelo bakeng sa litholoana tse ntle ka ho fetesisa.  

Phuputsong e 'ngoe, moemeli oa k'hemistri ea LLM ChemCrow e ile ea rera ka boithaopo le ho kopanya ntho e lelekang likokoanyana, li-organocatalyst tse tharo, 'me ea tataisa ho sibolloa ha chromophore e ncha. ChemCrow e ne e sebetsa hantle ho iketsetsa mesebetsi e fapaneng ea lik'hemik'hale.  

Tse peli tseo e sengmanyolo, litsamaiso tse bohlale tsa maiketsetso, Litsebi tsa kelello 'me ChemCrow bonts'a bokhoni bo hlahang ba moralo o ikemetseng le ho phethahatsa mesebetsi ea lik'hemik'hale bakeng sa ho kopanya limolek'hule tse tsejoang le ho sibolloa ha limolek'hule tse ncha. Ba na le menahano e tsoetseng pele, ea ho rarolla mathata le bokhoni ba ho etsa liteko bo ka thusang lipatlisisong tsa lik'hemik'hale.  

Litsamaiso tse joalo tsa AI li ka sebelisoa ke bao e seng litsebi bakeng sa ho etsa mesebetsi e tloaelehileng k'hemistri ka hona ho fokotsa litšenyehelo le boiteko. Li boetse li na le monyetla oa ho potlakisa ho sibolloa ha limolek'hule tse ncha  

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References:  

1. Boiko, DA, le al 2023. Lipatlisiso tsa lik'hemik'hale tse ikemetseng tse nang le mefuta e meholo ea lipuo. Tlhaho 624, 570-578. E phatlalalitsoe: 20 Tšitoe 2023. DOI: https://doi.org/10.1038/s41586-023-06792-0  
2. Carnegie Mellon University 2023 News - CMU-Designed Artificially Intelligent Coscientist Automates Scientific Discovery. E ngotsoe ka la 20 Tšitoe 2023. E fumaneha ho https://www.cmu.edu/news/stories/archives/2023/december/cmu-designed-artificially-intelligent-coscientist-automates-scientific-discovery  
3. Bran AM, et al a 2023. ChemCrow: Ho eketsa mefuta ea lipuo tse kholo ka lisebelisoa tsa k'hemistri. arXiv:2304.05376v5. DOI: https://doi.org/10.48550/arXiv.2304.05376 

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Lithuto tsa selelekela ka AI:

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