Chii chaitika
Vatsvagiri vakaunza MolEmb, chimiro chakareruka chekugadzirisa mamodhi akawanda emitauro mikuru kuita mamodheru ekumisikidza modhi. Iyo sisitimu inokwenenzvera mamolecular profiles uye zvinyorwa zvinyorwa munzvimbo yakagovaniswa yekumisikidza uchishandisa bidirectional inosiyanisa chinangwa. Vanyori vanoshuma mhedzisiro yemakwikwi pakufanotaura kwemolecular pfuma uye tsigiro yekuyambuka-modal molecule-kune-zvinyorwa kudzoreredza. Ivo zvakare vanosuma MolCAR, bhenji yekuyedza mamiriro-kuziva mamorekuru kudzoreredza.
Pepa racho, rakatumirwa kuarXiv muna Aug. 24, rinotsanangura MolEmb segadziriro yekudzokorora mamodheru emitauro mikuru semamocular systems. Mamodheru ekumisikidza mamodheru anoshandura ruzivo nezve mamorekuru kuita mavekita anogona kushandiswazve neakadzika masisitimu. Sekureva kwevanyori, mazhinji aripo mamorekuru encoder inyanzvi masisitimu akavakirwa akatenderedza imwe chete molecular maonero uye anogadzira asina magumo mavheji, zvichireva kuti chinomiririra chacho hachina kunyatsosiyaniswa nekutsanangurwa kwemutauro wechisikigo chebasa rinotarisirwa kana kuti molecular zvinoreva. MolEmb yakagadzirirwa kusanganisa mamolecular profiles nemavara munzvimbo yakagovaniswa yekumisikidza.
Iyo yakashumwa nzira inoshandisa bidirectional mutsauko chinangwa kuenzanisa mamolecular profiles uye zvinyorwa zvinyorwa. Mukutaura kwakafara, kudzidziswa kwakasiyana kunokurudzira zvine hukama mamorekuru uye zvinyorwa kuti zvive pedyo pamwe chete munzvimbo yakagovaniswa uku uchipatsanura mapeya asina kuenderana. Kunobva hakupi bepa rakadzama modhi yekumisikidzwa, data rekudzidziswa, rondedzero yekutanga, kana nhamba mhedzisiro, saka kunyatsoitwa uye chiyero cheyedzo yakashumwa haigone kusimbiswa kubva pane zvakapihwa. Vanyori vanoratidzira MolEmb seisina huremu, asi kwainobuda haitsananguri chirevo ichocho nechiyero cheparameter, compute zvinodiwa, kana kuenzanisa nemamwe masisitimu.
Vanyori vanoshuma maitiro maviri makuru. Chekutanga, MolEmb inotsanangurwa semakwikwi pakufanotaura kwemamorekuru, kirasi yemabasa inofungidzira hunhu hwemamorekuru kubva kune zvavanomiririra. Chechipiri, inotsigira muchinjika-modal molecule-kune-zvinyorwa kudzoreredza munzvimbo imwechete yekumisikidza, ichibvumira mamorekuru nemitauro yemutauro kuti ienzaniswe kuburikidza nekugovana zvinomiririra. Iyo bepa zvakare inosuma MolCAR, inotsanangurwa seyekuongorora bhenji yemamiriro-kuziva kudzoreredza. Tsime rinoti zvakawanikwa zvebhenji zvinoratidza kuti kunyudzwa-kunoziva mamorekuru inzvimbo yedata retarisiro, iyo inosimbisa kuti mienzaniso yekudzidzisa inogadzirwa sei kwete chete pamhando yekuvaka.
Basa rakaratidzwa paMusangano wechitatu weMulti-modal Foundation Models uye Mienzaniso Yakakura yeMutauro yeHupenyu Sayenzi paICML 2026. arXiv inorizivisa sebepa remusangano risiri rekuchengetera zvinyorwa uye inonyora kutumira seshanduro yekutanga. Sosi rakapihwa rine ruzivo uye ruzivo rwebhaibheri, asi hapana sarudzo yekuongorora-vezera, repository yekumisikidza, kudzokorora kwakazvimiririra, ruzivo rwekutumira, kana humbowo hwekuti nzira iyi yakaburitsa mumiriri wemushonga akabvumidzwa kana kuvandudza mhedzisiro yekiriniki.
Nei zvichikosha
Molecular embeddings zviratidziro zvinogoneka zvinogona kutsigira mabasa akadai sekufembera kwemidziyo, kuongorora chaiko, uye kudzoreredza. Kana mamodheru emitauro yakawanda achigona kupa embeddings inoshanduka nenzira kwayo nechimiro chemutauro wechisikigo, vaongorori vangakwanisa kushandisa imwe inochinjika inomiririra layer pane akati wandei computational-chemistry mabasa. Iro bepa zvakare rinoratidza kuti mamiriro-anoziva maitiro anoenderana zvakanyanya nedata rekutarisa, zvichiita kuti dhizaini dhizaini ive yakakosha inotaridza kugona.
Molecular embeddings zvivakwa kwete zvekupedzisira-mushandisi chigadzirwa. Iyo reusable vector inomiririra inogona kudyisa akawanda pasi pasi masisitimu, kusanganisira kufanotaura kwezvivakwa, kutarisisa chaiko, uye kudzoreredza. Iko kungave kukosha kweMolEmb saka ndiko kuchinjika kwayo kwainotsanangurwa: imwe multimodal modhi inogona kumiririra ruzivo rwemamorekuru pamwe netsanangudzo yezvinyorwa zveizvo muongorori anoda kutora kana kufanotaura. Iro bepa rinoisa izvi seimwe nzira yekushandisa akasiyana encoder enyanzvi kune akasiyana mamorekuru maonero kana mabasa.
Muchinjikwa-modal dhizaini inogona kubatsira apo ruzivo rwesainzi rwunopatsanurwa pakati petsananguro dzakarongwa kana dzekufananidzira dzemamorekuru uye zvirevo zvemutauro wechisikigo. Nzvimbo yakagovaniswa inogona kuita kuti zvive nyore kutsvaga mamorekuru uchishandisa zvinyorwa kana kubatanidza marekodhi emamorekuru ane tsananguro yakanyorwa. Nekudaro, iro sosi rinosimbisa chete kuti vanyori vanoshuma rutsigiro rwekudzoreredza-kune-mavara. Izvo hazviratidze kuti sisitimu yacho yakanyatsojeka, yakachipa, inokurumidza, kana yakavimbika kupfuura yakamisikidzwa makemikari-chaiyo maturusi, uye haina kunyora kushandiswa nevatsvaguri kunze kwekuongororwa kwebepa.
Mhedziso yepepa nezve data rekutarisa inonyanya kukosha pakuongorora zvirevo nezve multimodal AI musainzi. Kana ruzivo rwechinyorwa ruchinyanya kudzidzwa kubva kumienzaniso inoshandiswa pakutarisa, saka kushandura mavakirwo emodhi chete hakugone kugadzirisa matambudziko akadai setsananguro isina kujeka, zvirevo zvisina kukwana, mazwi asingaenderane, kana kufukidzwa kwakarerekera kwenzvimbo yemakemikari. Kuumbwa kweDataset, maitiro ekunyora, uye hukama pakati pezvinyorwa uye ruzivo rwemamorekuru zvinogona kukanganisa mhedzisiro. Kwakabva hakuzivise kuti ndeapi dhatabheti rekutarisa rakaburitsa zvakashumwa zvawanikwa kana kuverengera maitiro.
Mhedzisiro inoshanda inoramba ichitarisirwa. Vanyori vanoti mhedzisiro yavo inoratidza kuti multimodal mitauro mikuru inzira inogoneka uye inotambanuka kune akajairwa mamorekuru emedding modhi, asi icho chiri chekutsvagisa kwete humbowo hwekutorwa kwakakura. Iko hakuna chirevo mune sosi kuti MolEmb yakawana mushonga, yakavandudza marabhoritari, yakatsiva ongororo yenyanzvi, kana kubatanidzwa mukugadzira chemistry pombi. Hukoshi hwayo hwekare senzira yakatsanangurwa yekumiririra uye nzira yekuongorora yeAI-inobatsirwa molecular sainzi.
Interactive Mechanism: Iyo Inonyatsoshanda
Ongorora ari pasi tekinoroji kuseri kwekusimudzira uku uchipindirana.
crm_get_transaction(id='4092').Which component of an AI application is the machine-learning model itself?
Zvekutarisa zvinotevera
Iri bepa ichangobva kutumirwa, risiri-risiri rekishopu bepa, uye kwainopa hakuna nhamba mhinduro, kuenzanisa, saizi yedataset, kodhi yekubatanidza, kana humbowo hwekushandiswa mukuwanikwa kwezvinodhaka. Basa rekutevera rinofanirwa kuyedza MolEmb pane akafara mamorekuru dhataseti, mitauro, kumiririra kwemamorekuru, uye marabhoritari akazvimirira. Zvichave zvakakoshawo kuona kana mamiriro emamiriro ezvinhu achivandudza sarudzo chaidzo dzesainzi kwete kungotora zvibodzwa zvebhenji.
Mubvunzo wekutanga wekutsvagisa yekutevera ndewekuti kukwikwidza kwakashumwa kunobata pane akazvimirira dataset uye mabasa. Kwakabva hakupi zvibodzwa, fungidziro yekusavimbika, saizi yedataset, kana mazita ekutanga, saka vaverengi havagone kuona kuti yakakura zvakadii mukana kana kukanganisa kwakashumwa. Ongororo dzenguva yemberi dzinofanira kuenzanisa MolEmb nehunyanzvi mamorekuru encoder uye mamwe ma multimodal masisitimu ari pasi pekudzidziswa kwakanyatso kuenderana nemamiriro ekuyedza.
MolCAR inogona kubatsira kujekesa kana sisitimu inonzwisisa mamiriro kana kungoenderana nemazwi anodzokororwa uye mamorekuru mapatani. Kubatsira kwayo kunotsamira pakuvhara kwebhenji, kuomerwa, uye kuramba kuburitswa kwedata. Sosi inozivisa MolCAR sebhenji rekuongorora asi haitsananguri mienzaniso yayo, dhizaini yebasa, evaluation metrics, kana chimiro chekuburitsa. Iwo mameseji anozodiwa pamberi pebhenji inogona kutsigira mhedziso yakafara nezve mamiriro-anoziva mamorekuru kudzoreredza.
Basa rekutarisa data rinodawo kuongororwa kwepedyo. Vatsvaguri vanofanirwa kuyedza kana mashandiro achinja kana tsananguro yemamorekuru ichidimikirwa, ikaitwa kuti inyatsojeka, ichiturikirwa, kana kupetwa nekupokana kwemamiriro ezvinhu. Vanofanirawo kuongorora kana kuiswa kwacho kunoramba kwakagadzikana kana chirevo chemashoko chisina basa kana kuti chisina kutsanangurwa. Hapana yeiyi bvunzo inoshumwa mune yakapihwa sosi, saka miganho yemamiriro emamiriro ezvinhu inoramba isingazivikanwe.
Pakupedzisira, kusimbiswa kunoshanda kunoda humbowo hunopfuura kufanotaura uye kudzoreredza mabhenji. Huwandu hwezvivakwa zvemamorekuru uye mibairo yekutsvaga inogona kutungamira zviedzo, asi hazviratidze zvega kuti morekuru rakachengeteka, rinoshanda, rinogadzirwa, kana rakakodzera kushandiswa kwekiriniki. Zvidzidzo zvekutevera zvinofanirwa kuzivisa maitirwo anogona kudzokororwa, zviwanikwa zvekushandisa, nyaya dzekukundikana, uye marabhoritari kana kufambiswa kwebasa pazvinenge zvakakodzera. Kusvika panguva iyoyo, MolEmb inonzwisiswa zvakanyanya seyakavimbiswa tsvagiridzo, kwete yakasimbiswa dhizaini-yekuwanikwa system.