Cov kws tshawb fawb tau ua tiav cov cuab yeej AI tshiab (piv txwv li GPT-4) nrog automation los tsim 'systems' muaj peev xwm ntawm kev tsim qauv, npaj thiab ua cov kev sim tshuaj nyuaj. 'Coscientist' thiab 'ChemCrow' yog ob lub tshuab AI-raws li tsim los tsis ntev los no uas qhia txog kev muaj peev xwm tshwm sim. Tsav los ntawm GPT-4 (qhov tseeb version of generative AI ntawm OpenAI), Coscientist tau pom tias muaj kev xav siab tshaj plaws thiab kev sim tsim muaj peev xwm. ChemCrow tau ua haujlwm zoo ua haujlwm ua haujlwm thiab ua tiav kev tshawb pom thiab kev sib txuas ntawm cov tshuaj siv tshuaj. 'Coscientist' thiab 'ChemCrow' muab txoj hauv kev tshiab ntawm kev tshawb fawb kev sib koom ua ke nrog cov tshuab thiab tuaj yeem ua haujlwm tau zoo hauv kev ua tiav cov haujlwm sim hauv cov chaw soj nstuam neeg hlau.
Generative AI Yog hais txog kev tsim lossis tsim cov ntsiab lus tshiab los ntawm a computer txoj haujlwm. Google Txhais lus uas tau los ua 17 xyoo dhau los hauv 2007 yog ib qho piv txwv ntawm kev tsim tawm artificial txawj ntse (AI). Nws generates translations (tso tawm) los ntawm ib tug muab lus (input). OpenAKuv yog Sib tham GPT , Microsoft's Copilot, Google Bard, Meta (yav dhau los Facebook)'s Llama , Elon Musk's grok ua thiab lwm yam yog qee qhov tseem ceeb AI cov cuab yeej muaj tam sim no.
ChatGPT, tau tshaj tawm xyoo tas los ntawm 30 Kaum Ib Hlis 2022, tau dhau los ua neeg nyiam heev. Nws tau hais tias tau txais 1 lab tus neeg siv hauv 5 hnub thiab 100 lab tus neeg siv txhua hli hauv ob lub hlis. ChatGPT yog raws li tus qauv lus loj (LLM). Lub hauv paus ntsiab lus tseem ceeb yog lus qauv piv txwv li ua ntej kev cob qhia tus qauv nrog cov ntaub ntawv kom tus qauv twv seb yuav ua li cas los tom ntej hauv kab lus thaum tau txais kev tshoov siab. Ib hom lus (LM) yog li ua rau qhov kev kwv yees kwv yees ntawm cov lus tom ntej hauv ib hom lus uas tau muab ua ntej. Thaum raws li neural network, nws yog hu ua 'neural network language model' nyob rau hauv cov ntaub ntawv cov ntaub ntawv yog ua tiav nyob rau hauv ib txoj kev zoo li nyob rau hauv tib neeg lub hlwb. Tus qauv lus loj (LLM) yog tus qauv loj uas tuaj yeem ua ntau hom lus ua haujlwm rau kev nkag siab hom lus dav dav thiab tiam neeg. Transformer yog neural network architecture siv los tsim ChatGPT. Lub npe 'GPT' yog acronym rau 'Generative pre-trained Transformer'. OpenAI siv transformer raws li cov qauv lus loj.
GPT-4, ChatGPT's plaub version, tau tso tawm rau 13 Lub Peb Hlis 2023. Tsis zoo li cov qauv ua ntej uas lees txais cov ntawv sau nkaus xwb, GPT-4 lees txais ob qho tib si duab thiab cov ntawv nkag (li no cov lus qhia ua ntej tsis siv rau plaub version). Nws yog ib tug loj multimodal qauv. GPT-4 Turbo TSI launched rau 06 Kaum ib hlis 2023, yog ib tug txhim kho thiab haib version ntawm GPT-4.
Coscientist yog tsim los ntawm tsib qhov sib cuam tshuam modules: kev npaj, web searcher, code execution, documentation and automation. Cov qauv no sib pauv lus nrog ib leeg rau lub vev xaib thiab tshawb nrhiav cov ntaub ntawv, kev ua lej thiab kev ua haujlwm ntawm kev sim. Kev sib cuam tshuam yog los ntawm plaub cov lus txib - 'GOOGLE', 'PYTHON', 'DOCUMENTATION' thiab 'EXPERIMENT'.
Lub phiaj xwm module yog lub ntsiab module. Nws yog tsav los ntawm GPT-4 thiab ua haujlwm nrog kev npaj. Raws li cov lus qhia mob yooj yim los ntawm tus neeg siv, tus neeg npaj yuav teeb tsa cov lus txib tsim nyog rau lwm cov qauv los sau cov kev paub. Lub web searcher module uas tseem yog LLM tau hu los ntawm GOOGLE cov lus txib los tshawb hauv internet thiab lwm yam kev ua haujlwm rau kev npaj tau zoo. Lub code execution module ua cov lej ua tiav los ntawm PYTHON hais kom ua. Qhov module no tsis siv LLM. Documentation module ua los ntawm DOCUMENTATION hais kom ua kom rov qab tau thiab sau cov ntaub ntawv tsim nyog. Raws li qhov no, cov phiaj xwm phiaj xwm thov EXPERIMENT hais kom ua rau automation module rau kev ua haujlwm ntawm kev sim.
Thaum tsim nyog, Coscientist synthesized painkillers paracetamol thiab aspirin thiab cov organic molecules nitroaniline thiab phenolphthalein thiab ntau lwm yam molecules paub kom raug. Lub phiaj xwm module tuaj yeem ua kom zoo dua cov kev cuam tshuam rau qhov zoo tshaj plaws cov tshuaj tiv thaiv.
Hauv lwm txoj kev tshawb fawb, tus neeg sawv cev ntawm LLM chemistry ChemCrow autonomously npaj thiab muab cov tshuaj tua kab, peb organocatalysts, thiab coj qhov kev tshawb pom ntawm ib tug tshiab chromophore. ChemCrow tau ua haujlwm zoo hauv kev ua haujlwm ntau yam tshuaj lom neeg.
Ob tug tsis-organic, artificial txawj ntse systems, Coscientists thiab ChemCrow tso saib qhov muaj peev xwm tshwm sim ntawm kev npaj tswj hwm tus kheej thiab ua haujlwm tshuaj lom neeg rau kev sib txuas ntawm cov molecules paub thiab nrhiav pom cov tshiab molecules. Lawv muaj kev xav zoo siab, daws teeb meem thiab kev sim tsim peev xwm uas tuaj yeem ua ke hauv kev tshawb fawb tshuaj.
Cov txheej txheem AI tus neeg sawv cev no tuaj yeem siv los ntawm cov kws tsis yog kws tshaj lij los ua cov haujlwm niaj hnub hauv chemistry yog li txo tus nqi thiab kev siv zog. Lawv kuj muaj peev xwm ua kom nrawm nrhiav tau cov molecules tshiab
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References:
- Boiko, DA, thiab muajl 2023. Kev tshawb fawb tshuaj autonomous nrog cov qauv lus loj. Xwm Txheej 624, 570–578. Published: 20 December 2023. DOI: https://doi.org/10.1038/s41586-023-06792-0
- Carnegie Mellon University 2023 Xov Xwm - CMU-tsim Artificially Intelligent Coscientist Automates Scientific Discovery. Tshaj tawm 20 Kaum Ob Hlis 2023. Muaj nyob ntawm https://www.cmu.edu/news/stories/archives/2023/december/cmu-designed-artificially-intelligent-coscientist-automates-scientific-discovery
- Bran AM, thiab al 2023. ChemCrow: Txhim kho cov qauv lus loj nrog cov cuab yeej chemistry. arXiv: 2304.05376v 5. DOI: https://doi.org/10.48550/arXiv.2304.05376
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Introductory lectures ntawm AI:
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 with automation to develop ‘systems’ capable of autonomously designing, planning and performing complex chemical experiments. ‘Coscientist’ and ‘ChemCrow’ are two such AI-based systems developed recently that display emergent capabilities.){kind=link}