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MolGANの紹介
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Oshita Noriaki
June 07, 2019
Education
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1.2k
MolGANの紹介
Oshita Noriaki
June 07, 2019
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Transcript
.PM("/ "OJNQMJDJUHFOFSBUJWFNPEFMGPSTNBMM NPMFDVMBSHSBQIT /JDPMB%F$BP 5IPNBT,JQG ൃදऀɿେԼൣߊ
ຊͷ༰ .PM("/ͱ (SBQI$POWPMVUJPOBM/FUXPSLͱ ("/ͱ .PM("/ͷΞʔΩςΫνϟʔ
ධՁࢦඪ ֶशʹ͓͚Δ
.PM("/ͱ w ͓͓ͬ͟ͺʹ͍͏ͱࢠάϥϑΛੜ͠Α͏ͱ͍͏("/
(SBQI$POWPMVUJPOBM/FUXPSL άϥϑϑʔϦΤม άϥϑԽ
ͳͥ($/Λ͏ͷʁ .4DIMJDIULSVMMFUBM ٙ 3//ϕʔεͷੜϞσϧͷจࣈྻදݱͰ͍͍Μ͡Όͳ͍ͷʁ ͳͥάϥϑʹʁ ͑ 3//ɺ ɾߏจنଇͱදݱͷॱংͷ͍͋·͍͞ͷ྆ํΛֶश͢ΔͨΊʹଟେͳίετΛඅ͢ ɾҰൠతʹʢඇࢠʣάϥϑʹద༻Ͱ͖ͳ͍
("/ min θ max ϕ x∼pdata (x) [logDϕ (x)] +
z∼pz (z) [log(1 − Dϕ (Gθ (z))] ผͰ͖ͳ͍Α͏ʹ͍ͨ͠ ผ͍ͨ͠ (ʹΑͬͯੜͨ͠σʔλ ຊͷσʔλ͔Βֶश
.PM("/ %JTDSJNJOBUPSσʔληοτͱ(FOFSBUPSΛࣝผ͢Δ 3FXBSEOFUXPSL(FOFSBUPSͰੜ͞ΕͨࢠΛධՁ͢Δɽ (FOFSBUPSࢠΛੜ͢Δɽ ɾͦΕͧΕͷ
matrixX = [x1 , …, xN] T ∈ ℝN×T ֤ࢠແάϥϑͰදݱͰ͖Δ
લఏɿ A ∈ ℝN×N×YXIFSFAij ∈ ℝY ྡςϯιϧ ऍߦྻ
3FXBSE/FUXPSL w άϥϑΈࠐΈʹجͮ͘ॱྻෆมหผث͓Αͼใु ωοτϫʔΫʢॴͷԽֶతੑ࣭ʹ͚ͨ3-ϕʔεͷ࠷ దԽͷͨΊʣ w ೖྗάϥϑɼग़ྗεΧϥʔ w %JTDSJNJOBUPSͱಉ͡ωοτϫʔΫΛ༻͢Δɽ
ධՁࢦඪ 4BNBOUBFUBM Uniqueness = ϢχʔΫαϯϓϧ ༗ޮαϯϓϧ Novelty = σʔληοτʹؚ·Εͳ͍༗ޮͳαϯϓϧ ༗ޮͳαϯϓϧ
Validity = 7BMJE શͯͷੜ͞Εͨࢠ
%SVHMJLFOFTTͲͷ͘Β͍Խ߹͕ༀʹͳΔՄೳੑ͕͋Δ͔ 4ZOUIFUJ[BCJMJUZࢠͷ߹ͷ༰қ͞ʢқʣ 4PMVCJMJUZࢠ͕Ͳͷఔਫੑ ਫʹ༹͚͍͔͢ Ͱ͋Δ͔
ࢠؒͷྨࣅͷܭࢉํ๏ʁ "#JDLFSUPOFUBMʹॻ͍͍ͯΔɽ 2&%ͱ͍͏ఆྔతͳਪఆΛߦ͍ͬͯΔɽdͷؒʹΛ࣋ͪɼ ʹ͍ۙ΄Ͳ%SVHMJLFOFTTΛͭɽ QED = exp ( 1 n
n ∑ i=1 ln di) ͜ͷத͕͚ۙΕༀΒ͍͠ͱ͍͑Δ EFTJSBCJMJUZGVODUJPOT B C D E F Gύϥϝʔλ d(x) = a + b [ 1 + exp (− x − c + d 2 e )] 1 − 1 [ 1 + exp (− x − c − d 2 f )] Yࢠهड़ࢠ
݁ 7"&ϕʔεͷੜϞσϧΑΓߴ͍༗ޮੑͱ৽نੑͷ྆ํͰ ࢠάϥϑΛੜ͢Δ͜ͱ͕Ͱ͖Δ ܭࢉ͕࣌ؒҎલͷγʔέϯγϟϧ("/ͱൺֱͯ͠ഒ͍܇࿅࣌ؒ ("/ͱڧԽֶशΛۦ͍ͯ͠ΔͷͰɼϞʔυ่յ͕ى͜Γ͍͢ ͦͷͨΊɼ৽حੑͷ͋Δάϥϑ͕ੜ͞Εʹ͘͘ͳΔ͋ Δɽ