౷ܭཧʹ͓͚ΔϞϯςΧϧϩ๏
ࠤʑɹࢤ߶ ∗
Monte-Carlo Methods in Statistical Physics
Munetaka SASAKI ∗
1. ͡Ίʹ
ੈքʹॳΊͯిؾػցࣜܭࢉػʢίϯϐϡʔλʣ͕ݱ Εͨͷ
1940
લͰ͋Δ͕ɼͦΕҎདྷίϯϐϡʔ λͷੑೳɼ·͞ʹࢦؔతͳਐԽΛ͖͛ͯͨɽྫ͑ɼूੵճ࿏্ͷτϥϯδελͷɼ
1960
͔Β ࠓʹࢸΔ·Ͱɼ1.5
ʙ2
͝ͱʹ2
ഒͷϖʔεͰ૿Ճ͠ଓ͚͍ͯΔɽ͜ͷܦݧଇʮϜʔΞͷ๏ଇʯͱݺΕΔɽ
·ͨɼ
1946
ʹΞϝϦΧͰ։ൃ͞ΕͨENIAC
ຖඵ5,000
ճͷՃݮࢉ͕ՄೳͰ͕͋ͬͨ(1)ɼݱࡏͷҰൠతͳՈఉ͚ίϯϐϡʔλຖඵ
10
11ճఔͷුಈখԋࢉ(2)Λߦ͏͜ͱ͕Ͱ͖Δɽ͞Βʹɼຊ࠷ͷεʔύʔ ίϯϐϡʔλʮژʯɼͦͷ໊͕ࣔ͢௨Γɼຖඵ
10
16ճ ͷුಈখԋࢉ͕ՄೳͰ͋Δɽ͜ͷΑ͏ͳίϯϐϡʔλͷരൃతͳൃలʹ͍ɼίϯ ϐϡʔλʹΑΔγϛϡϨʔγϣϯɼՊֶʹ͓͚Δ
ॏཁͳݚڀखஈͷ
1
ͭͱͯ͠Λ͖͛ͯͨΘ͚͕ͩɼͦͷൃలʹ͔ܽͤͳ͔ͬͨͷ͕ܭࢉख๏ʢΞϧΰ ϦζϜʣͷ։ൃͰ͋Δɽ࣮ͦͯ͠ࡍʹɼ
20
ੈلʹ༷ʑ ͳΞϧΰϦζϜ͕։ൃ͞Εͨͷ͕ͩɼ2000
ʹSIAM (Society for Industrial and Applied Mathematics)
ɼͦͷதͷτοϓ
10
Λൃදͨ͠(3)ɽ͜ͷϦετʹɼߴϑʔϦΤมΫΠοΫιʔτͳͲɼඇৗʹ༗໊ͳΞϧ ΰϦζϜͷ໊લ͕ͣΒͬͱฒΜͰ͍Δ͕ɼͦΕΒͷதͰɼ
࠷ݹ͍ΞϧΰϦζϜͱͯ͠࠷ॳʹհ͞Ε͍ͯΔͷ͕ɼ ຊߘͰհ͢ΔϞϯςΧϧϩ๏Ͱ͋Δɽ
ݩʑϞϯςΧϧϩ๏ɼதੑࢠ͕࣭Λಈ͖ճΔ༷
ࢠΛ୳ΔͨΊʹ։ൃ͞ΕͨɼཚΛ༻͍ͨܭࢉ๏Ͱ
͋Δɽ໋໊ऀ։ൃऀͷҰਓͰ͋ΔϑΥϯɾϊΠϚϯͰ
͋ΓɼΧδϊͰ༗໊ͳϞφίެࠃͷϞϯςΧϧϩ
(Monte
∗।ڭतɹཧֶڭࣨ
Associate Professor, Institute of Physics
Carlo)
͕ͦͷ໊ͷ༝དྷͱͳ͍ͬͯΔɽҰൠʹϞϯςΧϧϩ๏ɼཚΛ༻͍ͨγϛϡϨʔγϣϯख๏ͷ૯শͰ͋
Γɼྫ͑Ұ༷ཚΛ༻͍ͨԁपπͷܭࢉ(4)ͳͲɼ ϞϯςΧϧϩ๏ͷҰྫͰ͋Δɽ͔͠͠౷ܭཧͷͰ
ɼ୯ʹϞϯςΧϧϩ๏ͱ͍͏ͱ΄ͱΜͲ߹ɼϚϧί ϑ࿈ϞϯςΧϧϩ๏ͷ͜ͱΛࢦ͢ɽ͜ΕϚϧίϑ࿈
Ͱ͋ΒΘ͞ΕΔμΠφϛΫεΛར༻ͯ͠ɼ༩͑ΒΕͨ
͔֬ΒͷαϯϓϦϯάΛಘΔํ๏Ͱ͋Δɽ౷ܭ
ཧͰଟ͘ͷ߹ɼͦͷ֬ΛϘϧπϚϯͱ͢
Δɽ͜ͷΑ͏ʹɼϚϧίϑ࿈ϞϯςΧϧϩ๏Ϟϯς Χϧϩ๏ͷҰछͰ͋Δ͕ɼҙͷ͔֬Βͷαϯϓ ϦϯάΛՄೳͱ͢ΔۃΊͯ൚༻ੑͷߴ͍ख๏Ͱ͋Γɼͦ
ͷԠ༻ൣғཧͷΈͳΒͣɼֶɾֶɾੜֶɾۚ
༥ֶͳͲඇৗʹଟذʹΔɽ
ຊղઆͰ౷ܭཧʹ͓͚ΔϞϯςΧϧϩ๏ʹ͍ͭͯ
հΛ͢ΔɽຊߘͷߏҎԼͷ௨ΓͰ͋Δɽ·ͣୈ
2
અͰɼࠓඪ४తʹ༻͍ΒΕ͍ͯΔٙࣅཚੜ๏Ͱ͋Δ
Mersenne Twister
๏ʹ͍ͭͯհ͢Δɽͦͯ͠ୈ3
અͰϚϧίϑ࿈ϞϯςΧϧϩ๏ʹ͍ͭͯɼୈ4
અͰදతͳϞϯςΧϧϩ๏Ͱ͋Δ
Metropolis
ΞϧΰϦζ Ϝʹ͍ͭͯհ͢Δɽୈ5
અͰϞϯςΧϧϩ๏ͷޮͱ؇࣌ؒͷؔʹ͍ͭͯड़ɼҎ߱ͷୈ
6
ʙ9
અͰۙ։ൃ͞ΕͨޮతϞϯςΧϧϩ๏Ͱ͋ΔɼΫϥελʔ ΞϧΰϦζϜɼ֦ுΞϯαϯϒϧϞϯςΧϧϩ๏ɼ֬
తΧοτΦϑ๏ʹ͍ͭͯհ͢ΔɽಛʹචऀΒ͕։ൃ͠
ͨ֬తΧοτΦϑ๏ʹ͍ͭͯɼୈ
8
અͱୈ9
અͰৄ͘͠հ͢Δɽୈ
10
અͰຊߘͷ·ͱΊΛड़Δɽ2. Mersenne Twister๏
ϞϯςΧϧϩ๏ʹΑΔίϯϐϡʔλɾγϛϡϨʔγϣ ϯͰཚΛ༻͍Δ͕ɼίϯϐϡʔλຊͷҙຯͰͷ
ཚΛ࡞Δ͜ͱ͕Ͱ͖ͳ͍ͨΊɼ΄ͱΜͲͷ߹ɼͦͷ
͔ΘΓʹٙࣅཚΛ༻͍ΔɽٙࣅཚͱҰݟཚͷΑ
͏ʹݟ͑Δ͕ɼ࣮ࡍʹԿΒ͔ͷϧʔϧʹैͬͯ֬ఆత ʹੜ͞ΕΔɼྻͷͷ͜ͱͰ͋Δɽྫ͑ɼ࠷؆
ศͳٙࣅཚੜ๏Ͱ͋Δઢܗ߹ಉ๏Ͱɼ࣍ͷϧʔϧ ʹैͬͯٙࣅཚྻ
{ X
n}
Λੜ͢ΔɿX
n+1=(a × X
n+b) mod m
,(1)
͜͜Ͱ
p mod q
p
Λq
Ͱׂͬͨ࣌ͷ༨ΓͰ͋Δɽ
a
,b
,m
ͷΈ߹Θͤʹ͍ͭͯز͔ͭͷఏҊ͕͋Δ͕ɼదͳͷΛબɼྻ
{ X
n}
0
͔Β2
31− 1
ͷؒͷΛ΄΅ۉʹऔΔͷͰɼX
nΛ2
31ͰׂΕ0
͔Β
1
ͷؒͷٙࣅҰ༷ཚΛ࡞Δ͜ͱ͕Ͱ͖Δɽ͔͠͠ઢܗ߹ಉ๏ʮपظ͕͍ʢ࠷େͰ
m
ʣʯɼʮཚͷ࣭͕ѱ͍ʯͳͲͷܽΛ࣋ͭͨΊɼݱࡏͰ·ͣΘΕͳ͍ɽ
ͦΕʹର͠ɼຊઅͷදʹ͋Δ
Mersenne Twister
๏(5,6)ɼपظ͕
2
19937− 1 ≈ 10
6002,(2)
ͱඇৗʹ͘ɼ͔͠ߴʹ࣭ͷྑ͍ཚΛ࡞Δ͜ͱ͕
Ͱ͖ΔͨΊɼݱࡏͰ͜ͷํ๏͕ඪ४తʹΘΕ͍ͯΔɽ
ͪͳΈʹɼ
2
n− 1
ʢn
ʣͷܗͷࣗવMersenne
ɼͦͷதͰૉͷͷ
Mersenne
ૉͱݺΕΔͷ͕ͩɼࣜ
(2)
ࠨลͷMersenne
ૉͰ͋Γɼ͜ͷ͜ͱ͕
“Mersenne Twister”
ͱ͍͏໊લͷ༝དྷͱͳ͍ͬͯΔɽ3. Ϛϧίϑ࿈ϞϯςΧϧϩ๏
1
અͰड़ͨΑ͏ʹɼϚϧίϑ࿈ϞϯςΧϧϩ๏ͱϞϯςΧϧϩ๏ͷҰछͰ͋Δ͕ɼ౷ܭཧͷͰɼ ୯ʹϞϯςΧϧϩ๏ͱ͍͏ͱ΄ͱΜͲ߹ɼϚϧίϑ࿈
ϞϯςΧϧϩ๏ͷ͜ͱΛࢦ͢ɽҎԼɼʮϚϧίϑ࿈Ϟ ϯςΧϧϩ๏ʯͷ͜ͱΛʮϞϯςΧϧϩ๏ʯͱه͢͜ͱ ͱ͢ΔɽຊઅͰ͜ͷʢϚϧίϑ࿈ʣϞϯςΧϧϩ๏
ʹ͍ͭͯ؆୯ʹհ͢Δɽ
Ұൠʹɼ
M
ݸͷঢ়ଶ͔ΒΔܥʹ͍ͭͯߟ͑Δɽཧ ͷ߹ɼ͜ΕΒͷঢ়ଶඍࢹతͰ͋Γɼྫ͑εϐϯܥ ͷ߹ɼݸʑͷεϐϯ͕͋ΔಛఆͷํΛ͍ͨঢ়ଶΛ ද͢ɽ͜ͷঢ়ଶΛαͱද͢ɽϞϯςΧϧϩ๏ͷతɼ͜ΕΒ
M
ݸͷঢ়ଶΛɼ͋Δඪ֬{π
α}
ʹैͬͯੜ͢Δ͜ͱͰ͋Δɽ
{π
α}
ҙʹબͿ͜ͱ͕Ͱ͖Δ͕ɼཧʹ͓͍ͯϞϯςΧϧϩ๏Λ༻͍Δ߹ɼͦΕΛϘϧ πϚϯʹબͿ߹͕΄ͱΜͲͰ͋Δɽͦͷ࣌
{π
α}
࣍ࣜͰ༩͑ΒΕΔɽ
πα=
exp( − E
α/k
BT)
/Z
,(3)
͜͜Ͱɼ
E
αঢ়ଶαͷΤωϧΪʔɼk
BϘϧπϚϯఆɼ
T
ԹɼZ
ؔͰ͋ΔɽҎԼɼಛʹஅΒͳ͍߹ɼඪ֬
{π
α}
ϘϧπϚϯͱ͢Δɽ͜ͷతͷͨΊϞϯςΧϧϩ๏Ͱɼݱࡏͷঢ়ଶα͔ Β࣍ͷεςοϓͰͷঢ়ଶβΛɼભҠ֬
W
α→βʹैͬͯ֬తʹܾΊΔͱ͍͏͜ͱΛߦ͏ɽαͱβͷऔΓ͑Δ
ͦΕͧΕ
M
ݸ͋ΔͷͰɼW
α→βM × M
ͷߦྻͰ͋Δɽܥݱࡏͷঢ়ଶ͔Βɼඞ͍ͣͣΕ͔ͷঢ়ଶʹભҠ͢
ΔͨΊɼ
W
α→β࣍ͷอଘଇΛຬͨ͢ɿβ
W
α→β=1
.(4)
͜ͷભҠ֬ߦྻʹΑΓɼ
n
εςοϓͱn
+1
εςοϓͷ֬࣍ࣜͰ͚ؔͮΒΕΔɽ
p
α(n
+1)
=γ
W
γ→αp
γ(n)
,(5)
͜͜Ͱ
p
γ(n)
ɼn
εςοϓͷঢ়ଶ͕γͰ͋Δ֬Λ ද͢ɽ͜ͷ֬աఔͷେ͖ͳಛɼ࣍ͷεςοϓͰͲͷঢ় ଶʹભҠ͢Δ͔ݱࡏͷঢ়ଶͷΈʹґଘ͠ɼաڈʹґ ଘ͠ͳ͍͜ͱͰ͋Δɽݴ͍͑Δͱɼݱࡏͷঢ়ଶα͔Β
࣍εςοϓͰঢ়ଶβʹભҠ͢Δ֬ɼ୯७ʹߦྻཁૉ
W
α→βͰॻ͖ද͞Εɼ͜Ε·ͰͲ͏͍͏ཤྺΛͨͲͬͯঢ়ଶαʹ౸ୡ͔ͨ͠ʹશ͘ґଘ͍ͯ͠ͳ͍ɽ͜ͷΑ͏ʹɼ ະདྷͰͷڍಈ͕ݱࡏͷঢ়ଶͷΈʹґଘ͠ɼաڈʹશ͘ґ ଘ͠ͳ͍֬աఔͷ͜ͱΛϚϧίϑաఔɼͦͷதͰঢ়ଶ ͱ͕࣌ؒࢄతͳͷΛϚϧίϑ࿈ͱ͍͏ɽ͜ͷϚϧ ίϑ࿈Λ༻͍͍ͯΔ͜ͱ͕ɼʮϚϧίϑ࿈ϞϯςΧϧ ϩ๏ʯͱ͍͏໊લͷ༝དྷͱͳ͍ͬͯΔɽ
֬
{p
α(n)}
͕ͲͷΑ͏ʹ࣌ؒൃల͢Δ͔ભҠ֬ߦྻ
{ W
α→β}
ͷ༩͑ํʹґଘ͢ΔΘ͚͕ͩɼҰൠʹ ϞϯςΧϧϩ๏Ͱɼ͜ͷભҠ֬ʹҎԼͷ2
ͭͷ݅Λ՝͢ɿ
(i)
Τϧΰʔυੑɿҙͷঢ়ଶ͔Βελʔτͯ͠ɼঢ় ଶભҠΛ܁Γฦ͢͜ͱʹΑΓɼܥશͯͷঢ়ଶʹͨͲΓண͘͜ͱ͕ՄೳͰ͋Δɽ
(ii)
Γ߹͍݅ɿҙͷঢ়ଶαʹର͠ɼ࣍ͷ͕ࣜΓཱͭɿ
γπγ
W
γ→α=γπα
W
α→γ=πα,(6)
͜͜Ͱɼୈ
2
͔ࣜΒୈ3
ࣜΛಋ͘ࡍʹࣜ(4)
Λ༻͍ͨɽ͜ͷࣜɼඪ
{π
α}
Ͱɼҙͷঢ়ଶ αʹ͓͍ͯɼྲྀೖ͢Δ֬ͱྲྀग़͢Δ͕֬Γ߹͏͜ͱΛද͍ͯ͠Δɽ
͜ͷ
2
ͭͷ͕݅ຬͨ͞ΕΔ࣌ɼҙͷॳظ{ p
α(0) }
ʹର͠ɼແݶεςοϓޙͷ͕֬{π
α}
ʹऩଋ͢Δ͜ͱɼͭ·Γࣜ
lim
n→∞p
α(n)
=πα,(7)
͕Γཱͭ͜ͱֶ͕తʹݫີʹࣔ͞Ε͍ͯΔ(7)ɽ͜Ε ΛΤϧΰʔυఆཧͱ͍͏ɽ
͜ͷΑ͏ʹɼભҠ͕֬ඪ
{π
α}
ʹऩଋ͢ΔͨΊ ʹΓ߹͍͕݅ຬͨ͞ΕΕྑ͍ͷ͕ͩɼࣜ(6)
੍͕͋·Γʹ؇͘ɼ·ͨ྆ลʹଟͷભҠ֬ΛؚΉ
ͨΊɼ͜ͷࣜΛຬͨ͢ҰൠతͳભҠ֬Λߟ͑Δ͜ͱ
͔ͳΓࠔͰ͋ΔɽͦͷͨΊϞϯςΧϧϩ๏ͰɼભҠ
֬Λߏ͢Δࡍʹɼ࣍ͷৄࡉΓ߹͍݅Λ՝͢͜ͱ
͕ଟ͍ɽ
(ii)’
ৄࡉΓ߹͍݅ɿҙͷ2
ͭͷঢ়ଶα, γʹର͠ɼ࣍ͷ͕ࣜΓཱͭɿ
πγ
W
γ→α=παW
α→γ.(8)
͜ͷࣜࣜ
(6)
྆ลͷ֤߲ʹ͓͍͕ͯࣜΓཱͭ͜ͱ Λද͍ͯ͠Δɽ͜ͷ͜ͱ͔Β໌Β͔ͳΑ͏ʹɼৄࡉΓ߹͍݅Γ߹͍݅ͷे݅Ͱ͋Δɽ͜Ε·ͰϞϯ ςΧϧϩ๏ɼओʹৄࡉΓ߹͍݅ͷΈͰ։ൃ
͞Ε͖͕ͯͨɼ࠷ۙΓ߹͍݅ͷΈΛຬͨ͢ϞϯςΧ ϧϩ๏͕ز͔ͭ։ൃ͞Ε͓ͯΓɼ͔͠ଟ͘ͷ߹Ͱ͜
ΕΒͷख๏ɼैདྷͷৄࡉΓ߹͍݅Λຬͨ͢Ϟϯς Χϧϩ๏ΑΓγϛϡϨʔγϣϯޮ͕ྑ͍͜ͱ͕໌Β͔
ͱͳ͍ͬͯΔ(8ʙ14)ɽ͔͠͠ɼҎԼͰຊߘͰɼৄࡉΓ
߹͍݅Λຬͨ͢ϞϯςΧϧϩ๏ʹ͍ͭͯͷΈհ͢Δɽ
4. MetropolisΞϧΰϦζϜ
ҰൠʹɼৄࡉΓ߹͍ͷ݅ࣜ
(8)
ͱ֬อଘͷࣜ(4)
͔ΒભҠ֬Ұҙʹఆ·ΒͣɼભҠ֬ͷ༩͑ํແ
ʹଘࡏ͢Δ͕ɼͦͷதͰͬͱ༗໊ͳͷ͕
Metropolis
ΞϧΰϦζϜ(15)Ͱ͋Δɽ͜ͷΞϧΰϦζϜ࣍ͷ2
ͭ ͷεςοϓ͔ΒΓཱͭɿ(1)
ݱࡏͷঢ়ଶα͔ΒભҠઌͷঢ়ଶβΛɼ֬G
α→βʹैͬͯੜ͢Δɽ͜ͷ֬αͱβʹରͯ͠ରশ Ͱ͋Γɼ
G
α→β=G
β→αΛຬͨ͢ɽ(2)
α͔ΒβͷભҠΛ࣍ͷ֬Ͱडཧ͢ΔɿA
α→β=min
1
,πβπα
=
min
1
,exp
− E
β− E
αk
BT
,
,
(9)
͜͜Ͱ
2
ͭͷࣜΛಋ͘ࡍʹࣜ(3)
Λ༻͍ͨɽ͜ͷ࣌ભҠ֬
W
α→βɼG
α→βͱA
α→βΛ༻͍ͯɼ࣍ͷΑ͏ʹද͞ΕΔ
:
W
α→β=⎧⎪⎪⎪⎨⎪⎪⎪⎩
G
α→βA
α→β(
αβ)
,1 −
γα
G
α→γA
α→γ(
α=β)
.(10)
G
α→βͷରশੑ͓Αͼࣜ(9)
ΑΓɼࣜ(10)
ͷભҠ͕֬ৄࡉΓ߹͍ͷ݅
(8)
Λຬͨ͢͜ͱ༰қʹ͔֬ΊΒ ΕΔɽ͜͜Ͱɼडཧ֬ͷࣜ
(9)
ͷղऍʹ͍ͭͯɼগ͠આ໌͢Δɽ͍·
G
α→β=G
β→αͳͷͰɼडཧ֬ৄࡉΓ߹͍݅ͱಉ༷ͷࣜɼͭ·Γ
πβ
A
β→α=παA
α→β,(11)
Λຬͨ͢ඞཁ͕͋ΔɽͦͷͨΊɼྫ͑πα> πβͷ࣌ɼ
A
α→β<A
β→αͰ͋Δ͕ɼେ͖͍ํͷडཧ֬A
β→αʹ֬ͷ্ݶ
1
Λ༩͑ɼখ͍͞ํͷडཧ֬A
α→βʹৄࡉΓ߹͍ͷ͔݅Βܾ·Δπβ/παΛ༩͑ͨͷ͕ࣜ
(9)
ͷडཧ֬Ͱ͋Δɽैͬͯ͜ͷडཧ֬ɼৄࡉΓ߹͍݅ͷΈͷதͰɼͦͷΛ࠷େʹͨ͠ͷͰ͋Δ ͱݴ͑Δɽडཧ֬Λ͞Βʹ্͛ΔͨΊʹɼৄࡉΓ
߹͍݅ͷΈΛഁΔඞཁ͕͋Δ(9)ɽ
࣍ʹࣜ
(9)
ʹ͍ͭͯɼୈ3
ࣜʹؔZ
ؚ͕·Ε͍ͯͳ͍ʹ͖͍ͯͨ͠ɽࣜ
(3)
͔ΒΘ͔ΔΑ͏ʹɼඪ
{π
α}
ʹؔZ
ؚ͕·Ε͍ͯΔ͕ɼࣜ(9)
ͷୈ2
ࣜʹൺπβ/πα͔͠ݱΕͳ͍ͨΊɼࢠɾͷ͕ؔޓ͍ʹΩϟϯηϧ͠ɼୈ
3
ࣜͰZ
͕ফ͍͑ͯΔɽࡉ͔͍Ͱ͋Δ͕ɼ͜ͷ͜ͱϞϯςΧϧϩ๏
Λ࣮͢Δ্ͰɼۃΊͯॏཁͳ͜ͱͰ͋Δ(16)ɽ
5. ϞϯςΧϧϩ๏ͷޮͱ؇࣌ؒ
͜ͷΑ͏ʹϞϯςΧϧϩ๏Λ༻͍ΔͱɼؔΛܭ
ࢉ͢Δ͜ͱͳ͘ɼϘϧπϚϯʹैͬͯঢ়ଶΛੜ͢
Δ͜ͱ͕ՄೳͱͳΔ͕ɼͦͷҰํͰϞϯςΧϧϩ๏ʹɼ ੜ͞ΕΔঢ়ଶʹ૬͕ؔੜ͡Δͱ͍͏͕͋Δɽྫ͑
εϐϯܥʹ͓͍ͯɼ֤εςοϓͰεϐϯͷ͖Λ
1
ͭͣͭߋ৽͢Δɼ
1
εϐϯϑϦοϓͷϞϯςΧϧϩΛߦ͏ͱɼવͳ͕Βɼ͋Δεςοϓͷঢ়ଶͱͦͷ
1
εςοϓ ޙͷঢ়ଶඇৗʹࣅ͍ͯΔɽͭ·Γ૬͕ؔڧ͍ɽҰൠʹɼ͋Δ࣌ࠁʢεςοϓʣ
t
1ʹ͓͚Δঢ়ଶͱɼผͷ࣌ࠁt
2ʹ͓͚Δঢ়ଶɼͦͷ࣌ؒࠩ
| t
2− t
1|
͕େ͖͘ͳΔʹͭΕͯ૬͕ؔऑ·Δ͕ɼ͜ͷ૬͕ؔ΄΅ແ͘ͳΔͨΊʹඞཁ ͳ࣌ؒͷ͜ͱΛ؇࣌ؒͱݴ͏ɽ
࣍ʹɼ͜ͷঢ়ଶؒͷ૬͕ؔ࣋ͭҙຯʹ͍ͭͯߟ͑Δɽ
ྫ͑ɼϞϯςΧϧϩ๏ʹ͓͍ͯঢ়ଶભҠΛ
K
εςοϓߦ͏ͱɼͦͷ్தͰ
K
ݸͷঢ়ଶ͕࡞ΒΕΔɽͦͯ͠ϞϯςΧϧϩ๏Ͱɼ͜ΕΒͷঢ়ଶʹରͯ͠ฏۉΛऔΔ͜
ͱͰɼ༷ʑͳཧྔͷɼϘϧπϚϯʹ͓͚Δฏۉ
ΛධՁ͢Δɽ͔͠͠ɼ্Ͱड़ͨΑ͏ʹɼϞϯςΧϧ ϩ๏Ͱ࡞ΒΕΔঢ়ଶʹڧ͍૬͕ؔ͋ΔͨΊɼ͜ΕΒશ
ͯͷঢ়ଶޓ͍ʹಠཱͰͳ͘ɼಠཱͳঢ়ଶͷ
K
/τ ఔ͔͠ͳ͍ɽ͜͜Ͱτ؇࣌ؒɽͦͯ͠ɼσʔλͷ ฏۉͷ౷ܭޡࠩɼಠཱͳσʔλͷ1
/2
ʹൺྫ͢Δɽैͬͯɼ؇࣌ؒϞϯςΧϧϩ๏ͷޮΛද͢ό ϩϝʔλͰ͋Γɼ؇͕͍࣌ؒ΄Ͳޮ͕ྑ͍͜ͱ͕
Θ͔Δ(17)ɽ
6. ΫϥελʔΞϧΰϦζϜ
લઅʹ͓͍ͯɼ؇࣌ؒϞϯςΧϧϩ๏ͷޮΛද
͢όϩϝʔλͰ͋Δͱड़͕ͨɼҰൠʹ؇࣌ؒసҠ Թۙʹ͓͍ͯ૿Ճ͢Δ͕͋Δɽྫ͑ڧ࣓ੑମ ͷ߹ɼߴԹ͔ΒసҠԹʹۙͮ͘ͱ࣍ୈʹεϐϯ૬ؔ
͕ൃୡ͠ɼεϐϯ͕ಉ͡ํΛ͍ͨྖҬʢΫϥελʔʣ
͕େ͖͘ͳΔɽͦͯ͠ΫϥελʔɼҰͰ͖Δͱͳ͔
ͳ͔స͠ͳ͍ͨΊɼ؇͕࣌ؒ͘ͳΔɽͦͯ͠ܥͷ αΠζ͕ແݶେͷ߹ɼసҠԹʹ͓͍ͯΫϥελʔα ΠζແݶେͱͳΔͨΊɼ؇࣌ؒແݶେʹൃࢄͯ͠
͠·͏ɽ͜Ε૬సҠΛࣔ͢ܥશൠͰ؍ଌ͞ΕΔݱͰ
͋Γɼ
critical slowing down
ͱݺΕΔ(18)ɽ࣮ࡍͷγϛϡ ϨʔγϣϯαΠζ͕༗ݶͷܥͰߦ͏ͨΊɼ؇͕࣌ؒൃࢄ͢Δ͜ͱͳ͍͕ɼసҠԹۙͰ؇͕࣌ؒٸܹ
ʹ૿େ͢Δ͜ͱʹมΘΓͳ͘ɼͦͷͨΊ௨ৗͷϞϯς Χϧϩ๏ͰɼసҠԹۙͰͷγϛϡϨʔγϣϯޮ
͕େ෯ʹԼͯ͠͠·͏ɽ
͜ͷΛղܾ͢Δ࠷ળͷํ๏ɼ໌Β͔ʹɼΫϥε λʔͷεϐϯΛҰʹ·ͱΊͯస͢Δ͜ͱͰ͋Δ͕ɼ ڧ࣓ੑΠδϯάεϐϯϞσϧͰͦͷΑ͏ͳํ๏͕࣮ࡏ
͢Δ(19,20)ɽҎ߱ɼεϐϯཻࢠͳͲͷঢ়ଶมΛҰʹ
·ͱΊͯߋ৽͢Δख๏ΛΫϥελʔΞϧΰϦζϜɼͦͷ தͰจݙ
(19
,20)
ͰఏҊ͞Εͨํ๏ΛSwendsen-Wang
ΞϧΰϦζϜͱݺͿɽ1969
ʹFortuin
ͱKasteleyn
ɼ ڧ࣓ੑq
ঢ়ଶϙοπϞσϧ(21)ͷ͕ؔɼ͋Δछͷ ύʔίϨʔγϣϯͷʹmap
Ͱ͖Δ͜ͱΛ͓ࣔͯ͠Γ(22,23)ɼ͜Ε
Fortuin-Kasteleyn
ఆཧͱݺΕ͍ͯΔ͕ɼ
Swendsen-Wang
ΞϧΰϦζϜ͜ͷఆཧʹج͍ͮͯઃܭ͞ΕͨϞϯςΧϧϩ๏Ͱ͋Δɽ͜ͷΞϧΰϦζϜ Λద༻͢Δ͜ͱʹΑΓɼڧ࣓ੑΠδϯάϞσϧͷ
critical
slowing down
ͷɼશͰͳ͍͕ܶతʹܰݮͰ͖Δ͜ͱ͕ࣔ͞Ε͍ͯΔɽ·ͨ
Swendsen-Wang
Ξϧΰ ϦζϜɼͪΐͬͱͨ͠Λ͢Δ͜ͱͰ(20)ɼڧ࣓ੑͷXY
ϞσϧϋΠθϯϕϧΫϞσϧʹରͯ͠ద༻ՄೳͱͳΔɽͦͷଞʹΫϥελʔΞϧΰϦζϜɼྔࢠεϐ
ϯܥ(24ʙ26)ཻࢠܥ(8,27)ͰఏҊ͞Ε͓ͯΓɼͦͷద༻
ʹΑΓγϛϡϨʔγϣϯޮ͕େ෯ʹ্͢Δ͜ͱ͕֬
͔ΊΒΕ͍ͯΔɽ
ϞϯςΧϧϩ๏ͷޮվળͷ؍͔Β͍͏ͱɼΫϥε λʔΞϧΰϦζϜ࠷ળͷखͰ͋Δͱड़ͯաݴͰ
ͳ͍͕ɼ೦ͳ͕Βݱঢ়ͰɼΫϥελʔΞϧΰϦζϜ
͕͑Δܥ͘͝ݶΒΕ͍ͯΔɽྫ͑
Swendsen-Wang
ΞϧΰϦζϜɼεϐϯάϥεʢϥϯμϜ࣓ੑମʣ(28)ͷ Α͏ͳϑϥετϨʔγϣϯ͕͋Δܥʹద༻ͯ͠શ͘͏·͘ಇ͔ͳ͍͜ͱ͕ΒΕ͍ͯΔɽεϐϯάϥεʹ͓͍
ͯ༗ޮͳΫϥελʔΞϧΰϦζϜͷ։ൃ͜Ε·Ͱʹ ز͔ͭߦΘΕ͍ͯΔ͕(29ʙ31)ɼγϛϡϨʔγϣϯޮͷେ
෯ͳ্ʹޭͨ͠ྫ΄ͱΜͲͳ͍ɽྫ֎ͱͯ͠ɼ
2
࣍ ݩΠδϯάεϐϯάϥεʹ͓͚ΔΫϥελʔΞϧΰϦζ Ϝ͕ڍ͛ΒΕΔ͕(29)ɼಉϞσϧ༗ݶԹͰεϐϯάϥ εసҠΛࣔ͞ͳ͍ͨΊɼεϐϯάϥε૬Ͱ༗ޮੑ͕ࣔ͞Εͨ༁Ͱͳ͍ɽεϐϯάϥεʹݶΒͣɼϑϥετϨʔ γϣϯ͕͋ΔܥͰ༗ޮͳΫϥελʔΞϧΰϦζϜɼ ʢগͳ͘ͱචऀ͕ΔݶΓͰʣݱ࣌Ͱଘࡏ͠ͳ͍ɽ
7. ֦ுΞϯαϯϒϧϞϯςΧϧϩ๏
ҰൠʹɼεϐϯάϥεͷΑ͏ʹϑϥετϨʔγϣϯ͕
͋ΔܥͰɼΤωϧΪʔฏ໘্ʹଟ͘ͷϩʔΧϧϛχ ϚϜ͕͋ΔͨΊɼԹͰͷ؇͕ඇৗʹ͘ͳΔɽ͔͠
ɼલઅͷ࠷ޙʹड़ͨΑ͏ʹɼ͜ΕΒͷܥͰ༗ޮͳ ΫϥελʔΞϧΰϦζϜ͕ଘࡏ͠ͳ͍ɽ͜ͷɼϑϥετ Ϩʔγϣϯ͕͋ΔܥͰͷ͍؇ͷΛղܾ͢ΔͨΊ ʹఏҊ͞Εͨͷ͕ɼҎԼʹհ͢Δ֦ுΞϯαϯϒϧϞ ϯςΧϧϩ๏Ͱ͋Δɽ
֦ுΞϯαϯϒϧϞϯςΧϧϩ๏ͷجຊతΞΠσΟΞ
ɼαϯϓϦϯά͢Δঢ়ଶۭؒΛ͛Δ͜ͱͰ؇Λଅ ਐ͢Δɼͱ͍͏ͷͰ͋Δɽཧͷʹ͓͍ͯ௨ৗզʑ
͕ڵຯΛ࣋ͭͷɼసҠԹۙɼͦΕΑΓԹͰͷ ܥͷৼ͍͕ͩɼ͜ΕΒͷԹͰ௨ৗͷϞϯςΧϧϩγ ϛϡϨʔγϣϯΛߦ͏ͱɼ͙͢ϩʔΧϧϛχϚϜʹଊΘ Εͯ؇͕͘ͳͬͯ͠·͏ɽͦ͜Ͱ֦ுΞϯαϯϒϧ ϞϯςΧϧϩ๏Ͱɼඪ
{π
α}
Λमਖ਼ͨ͠Γɼܥ ͷঢ়ଶมΛਓҝతʹ֦ு͢Δ͜ͱʹΑΓɼԹͰͷঢ় ଶ͚ͩͰͳ͘ɼߴԹͰͷঢ়ଶαϯϓϦϯά͢ΔΑ͏ʹͯ͠Δɽ͜͏͢Δ͜ͱͰɼܥ͕ҰϩʔΧϧϛχϚϜ ʹଊΘΕͯɼߴԹͰͷঢ়ଶʹભҠ͢Δ͜ͱͰɼ͔ͦ͜
Βൈ͚ग़͢͜ͱ͕Ͱ͖Δɽͭ·Γɼʮٸ͕ճΕʯͷਫ਼ਆ Ͱ͋Δɽ͔͠ɼԹͰͷঢ়ଶαϯϓϦϯά͢ΔͨΊɼ զʑͷڵຯͷରͰ͋ΔɼԹʹ͓͚Δܥͷৼ͍
ਤ1 ϨϓϦΧަ๏ͷུ֓ਤɽM=4ɽԹTiͰͷ௨ৗͷϞ ϯςΧϧϩʢਤதͷʮ௨ৗMCʯʣͱϨϓϦΧަΛ܁Γฦ͠ߦ
͏ɽϨϓϦΧަʹΑΓɼ֤ϨϓϦΧͷԹ͕࣌ؒͱڞʹมԽ͠
͍ͯΔɽ
Δ͜ͱ͕Ͱ͖Δɽ
֦ுΞϯαϯϒϧϞϯςΧϧϩ๏େ͖͚͘Δͱɼ
(a)
ΤωϧΪʔ্ۭؒͷϥϯμϜΥʔΫΛ࣮ݱ͢Δํ๏ɽ
(b)
Թ্ۭؒͷϥϯμϜΥʔΫΛ࣮ݱ͢Δํ๏ɽ ͷ2
ͭʹ͚ΒΕΔɽ(a)
ʹଐ͢Δํ๏ͱͯ͠ϚϧνΧ ϊχΧϧ๏(32,33)Wang-Landau
๏(34,35)͕͋Δ͕ɼ͜Ε Βͷํ๏Ͱඪ{π
α}
Λ࣍ͷΑ͏ʹબͿɿπα=
C
Ω
(E
α)
,(12)
͜͜Ͱ
C
ن֨ԽҼࢠɽ·ͨΩ(E)
ΤωϧΪʔঢ়ଶີͰ͋Γɼ࣍ࣜͰఆٛ͞ΕΔɿ Ω
(E) ≡
γδ
(E − E
γ)
.(13)
͜͏͢ΔͱΤωϧΪʔ͕
E
ͷঢ়ଶ͕αϯϓϦϯά͞ΕΔ֬
P(E)
P(E) ≡
απαδ
(E − E
α)
=C
,(14)
ͱͳΓɼશͯͷΤωϧΪʔ४Ґ͕֬ͰαϯϓϦϯά͞ΕΔ͜ͱͱͳΔɽҰൠʹΩ
(E)
ະͰ͋Δ͕ɼ࠷ॳదͳ͔ؔΒελʔτͯ͠ɼγϛϡϨʔγϣϯʹΑͬͯ
͋ΔछͷֶशΛ͢Δ͜ͱʹΑΓɼۙࣅతʹධՁ͢ΔɽϚ ϧνΧϊχΧϧ๏ͱ
Wang-Landau
๏ɼຊ࣭తʹಉ͡ख๏Ͱ͋Δ͕ɼΩ
(E)
ͷֶशํ๏͕ҟͳ͍ͬͯΔɽWang-
Landau
๏ͰఏҊ͞Εֶͨशํ๏ඇৗʹ؆ศͰɼֶ͔͠शޮ͕ྑ͍ͨΊɼݱࡏͰ
Wang-Landau
๏͕༻͍ΒΕΔ͜ͱ͕ଟ͍ɽ
࣍ʹ
(b)
ʹଐ͢Δํ๏ͱͯ͠ɼsimulated annealing
๏(36,37)ϨϓϦΧަ๏(38)͕͋Δɽ͜ΕΒ
2
ͭͷํ๏ɼԹ্ۭؒͷϥϯμϜΥʔΫΛ࣮ݱ͢Δڞ௨
͕ͩɼલऀ͕
1
ͭͷϨϓϦΧͷΈΛѻ͏ͷʹର͠ɼޙऀෳͷϨϓϦΧΛѻ͏͕ҟͳΔɽҎԼͰϨϓϦΧ
ަ๏ʹ͍ͭͯհ͢Δɽ͜ͷख๏ͷུ֓Λࣔͨ͠ͷ͕
ਤ
1
Ͱ͋ΔɽϨϓϦΧަ๏Ͱ࠷ॳʹɼΦϦδφϧͷ ܥͱશ͘ಉ͡ϋϛϧτχΞϯΛ࣋ͭίϐʔʢϨϓϦΧʣ ΛM
ݸ༻ҙ͢ΔɽͦΕͱಉ࣌ʹɼM
ݸͷҟͳΔԹ༻ҙ͢Δɽ͜ͷԹηοτ
{ T
i} (i
=1
,2
,· · ·
,M)
ɼσʔ λΛऔΓ͍ͨԹଆͱɼ؇͕͘ϩʔΧϧϛχϚϜ͔Β༰қʹग़Ͱ͖ΔߴԹଆɼ͞Βʹ͜ΕΒΛͭͳ͙தؒ
ԹྖҬؚ͕·ΕΔΑ͏ʹબͿɽͦͯ͠ɼ֤ϨϓϦΧ
ͦΕͧΕಠཱʹɼҟͳΔԹͷཋͱ͍ͯ͠Δͷ͕ͩɼ
࣌ʑྡΓ߹͏ԹͷϨϓϦΧΛަ͢Δɽ͜ͷަɼৄ
ࡉΓ߹͍݅Λຬͨ͢ɼ͋Δదͳ֬ʹैͬͯߦ͏ɽ
ͦͷ݁Ռɼ֤ϨϓϦΧͷԹ࣌ؒͱڞʹࠁҰࠁͱมԽ Λ͢ΔɽͦͷͨΊɼԾʹ͋ΔϨϓϦΧ͕ԹͰϩʔΧϧ ϛχϚϜʹଊΘΕͯɼߴԹʹͳͬͨ࣌ʹ͔ͦ͜Βग़
͢Δ͜ͱ͕Ͱ͖ΔɽԹηοτ
{ T
i}
ɼϨϓϦΧަͷ डཧ֬ͷฏۉ͕ɼԹʹΑΒͣҰఆʹͳΔΑ͏ʹબΕΔ͜ͱ͕ଟ͍ɽ۩ମతʹɼจݙ
(38)
ͰఏҊ͞Ε͍ͯΔํ๏ͳͲΛ༻͍ͯɼ֤ԹͷΛஞ࣍తʹमਖ਼͢Δ
͜ͱʹΑΓɼͦͷΑ͏ͳԹηοτΛ༻ҙ͢Δ͜ͱ͕Ͱ
͖Δɽ·ͨۙɼϨϓϦΧͷԹ্ۭؒͷӡಈͷ֦ࢄ
ΛଌΓɼϘτϧωοΫʹͳ͍ͬͯΔͱ͜ΖʹΑΓଟ͘ͷ ԹΛஔ͢Δ͜ͱͰɼԹηοτΛ࠷దԽ͢Δํ๏
ఏҊ͞Ε͍ͯΔ(39)ɽ
8. ֬తΧοτΦϑ๏
Ұൠʹڑ૬ޓ࡞༻ܥɼଟ͘ͷ૬ޓ࡞༻ΛѻΘ ͳ͚ΕͳΒͳ͍ͨΊɼγϛϡϨʔγϣϯΛߦ͏ͷ
͕ࠔͰ͋Δɽྫ͑ɼΫʔϩϯ૬ޓ࡞༻࣓ؾۃࢠ ૬ޓ࡞༻ͳͲͷ
2
ମͷڑ૬ޓ࡞༻ɼܥͷαΠζ ʢཻࢠεϐϯͳͲʣΛN
ͱ͢Δͱɼ૬ޓ࡞༻ͷN
C
2≈ O(N
2)
͚ͩ͋ΔɽͦΕʹର͠ɼۙ͘ͷཻࢠε ϐϯͱ͔͠૬ޓ࡞༻͠ͳ͍ۙڑ૬ޓ࡞༻ͷ߹ɼ૬ޓ࡞༻ͷ͔͔ͨͩ
O (N)
Ͱ͋ΔɽͦͷͨΊɼಛʹԿͷͤͣʹϞϯςΧϧϩΛߦ͏ͱɼڑ૬ޓ࡞༻ܥ Ͱͷܭࢉ࣌ؒۙڑ૬ޓ࡞༻ܥͰͷͦΕͷ
O (N)
ഒͱ ͳͬͯ͠·͏ɽ͜ͷΛࠀ͢ΔͨΊɼπϦʔ๏(40,41)ߴଟॏల։๏(42ʙ45)ͳͲͷख๏͕։ൃ͞Ε͍ͯΔ͕ɼ
͜ΕΒͷํ๏ͰΤωϧΪʔͷۙࣅධՁΛ͍ͯ͠ΔͨΊɼ
ۙࣅΛؚΉख๏ͱͳ͍ͬͯΔɽ·ͨߴϑʔϦΤมΛ ར༻ͨ͠ख๏։ൃ͞Ε͍ͯΔ͕(46)ɼ͜ͷख๏Ͱɼ
1
εϐϯߋ৽Λߦ͏ͨͼʹຖճΤωϧΪʔΛධՁ͢Δͱ͍͏͜ͱͤͣɼͦΕΛؒҾ͍ͯߦ͍ͬͯΔͨΊɼΓ
ۙࣅΛؚΉख๏ͱͳ͍ͬͯΔɽڑ૬ޓ࡞༻ܥʹ͓͍
ͯɼۙࣅͳ͠Ͱܭࢉ࣌ؒͷେ෯ͳݮʹޭͨ͠ख๏ͱ
ͯ͠
Luijten
ͱBl¨ote
ͷख๏(47)͕͋Δ͕ɼ͜ͷํ๏ڧ࣓ੑΠδϯάϞσϧʹ͔͠ద༻Ͱ͖ͳ͍ͱ͍͏͕ܽ͋
ΔɽͦΕʹରͯ͠ຊઅͰհ͢Δ֬తΧοτΦϑ๏(48)
ɼҰൠͷڑ૬ޓ࡞༻ܥʹద༻ՄೳͰɼ͔ͭϞϯς Χϧϩ๏ͱͯۙ͠ࣅΛؚ·ͳ͍ख๏ͱͳ͍ͬͯΔɽ֬
తΧοτΦϑ๏ͱ΄΅ಉ࣌ظʹɼ͜ΕͱࣅͨಛΛ࣋ͭ
ख๏͕Ҫɾ౻ಊʹΑΓ։ൃ͞Ε͍ͯΔͷͰ(49)ɼڵຯͷ
͋ΔํͦͪΒޚࢀর͖͍ͨɽ
͜͜Ͱ֬తΧοτΦϑ๏ͷઆ໌Λ͢Δલʹɼಉख๏
Ͱ༻͍͍ͯΔ
Stochastic Potential Switching (SPS)
Ξϧ ΰϦζϜʹ͍ͭͯઆ໌͢Δ(50,51)ɽ࠷ॳʹɼϋϛϧτχΞ ϯଟͷ૬ޓ࡞༻ʢϙςϯγϟϧʣͷͰද͞ΕΔͱ Ծఆ͢Δɽྫ͑2
ମͷڑ૬ޓ࡞༻ͷ߹ɼϋϛϧ τχΞϯ࣍ͷΑ͏ʹද͞ΕΔɿH
=i<j
V
i j(S
i,Sj)
,(15)
͜͜ͰSiɼεϐϯཻࢠҐஔͳͲɼܥͷঢ়ଶΛද͢ඍ ࢹతมͰ͋Δɽ
SPS
ΞϧΰϦζϜͰɼϙςϯγϟϧ Λ֬P
i jͰV ˜
i jʹɼ1 − P
i jͰV ¯
i jʹΓସ͑Δͱ͍͏͜ͱΛߦ͏ɽ͜͜Ͱ֬
P
i jࣜP
i j(S
i,Sj)
=exp[
β(
ΔV
i j(S
i,Sj) −
ΔV
i j∗)]
,(16)
Ͱ༩͑ΒΕΔɽβ
≡ 1
/k
BT
ٯԹɼΔ
V
i j(S
i,Sj) ≡ V
i j(S
i,Sj) − V ˜
i j(S
i,Sj)
,(17)
ΔV
i j∗ɼΔV
i j(S
i,Sj)
ͷ࠷େͱ͍͔͠ɼ͋Δ͍ͦΕ ΑΓେ͖͍ఆͰ͋ΔɽϙςϯγϟϧV ˜
i jҙʹબͿ͜ͱ͕Ͱ͖Δ͕ɼ͏ยํͷϙςϯγϟϧ
V ¯
i j֬P
i jΛ༻͍ͯ࣍ͷΑ͏ʹද͞ΕΔɿ
V ¯
i j(S
i,Sj)
=V
i j(S
i,Sj) −
β−1log[1 − P
i j(S
i,Sj)]
.(18)
ͦͯ͠
SPS
ΞϧΰϦζϜͰɼҎԼͷखॱΛ܁Γฦ͢͜ͱʹΑΓɼܥͷඍࢹతঢ়ଶ
{
Si}
Λߋ৽͢Δɿ(A)
ϙςϯγϟϧV
i jΛ֬P
i jͰV ˜
i jʹɼ1 − P
i jͰV ¯
i j ʹΓସ͑Δɽ(B)
Γସ͑ΒΕͨϋϛϧτχΞϯH
=V ˜
i j(S
i,Sj)
+V ¯
i j(S
i,Sj)
,(19)
Λ༻͍ͯ௨ৗͷϞϯςΧϧϩΛߦ͏ɽ͜͜ͰV ˜
Γସ͑ΒΕͨϙςϯγϟϧʹର͢ΔΛɼ
V ¯
Γସ͑ΒΕͨϙςϯγϟϧʹର͢ΔΛ ද͢ɽ(C) (A)
Δɽ͜ͷ
SPS
ΞϧΰϦζϜɼΦϦδφϧͷϋϛϧτχΞϯH
ʹؔ͢ΔৄࡉΓ߹͍݅Λຬͨ͢͜ͱ͕ݫີʹࣔ͞Ε͍ͯΔ(50,51)ɽ
ͦͯ֬͠తΧοτΦϑ๏ͰɼҙʹબͿ͜ͱ͕Ͱ
͖Δϙςϯγϟϧ
V ˜
i jΛ0
ʹ͢Δ͜ͱͰɼΓସ͑ΒΕͨϋϛϧτχΞϯ
H
ͷܭࢉ࣌ؒΛݮ͢Δɼͱ͍͏͜ͱΛߦ͏ɽΓସ͑ͷ݁Ռ
V ˜
i jͱͯ͠Δϙςϯγϟϧ ͷɼϙςϯγϟϧͷڑʹର͢Δݮਰͷ͞ͱۭؒ࣍ݩʹґଘ͢Δͷ͕ͩ(48)ɼྫ͑
2
࣍ݩ࣓ؾۃࢠܥͷ߹
O (N)
ͱͳΔɽ2
ମͷڑ૬ޓ࡞༻ͷ߹ɼݩʑ ͷϙςϯγϟϧͷO (N
2)
ͳͷͰɼେͷϙςϯγϟ ϧ͕V ˜
i j=0
ʹΓସ͑ΒΕΔ͜ͱʹΑΓΧοτΦϑ͞Ε͍ͯΔ͜ͱ͕Θ͔ΔɽҰํɼखॱ
(A)
ʹ͓͚Δϙςϯ γϟϧΓସ͑ɼϙςϯγϟϧͷ͕O (N
2)
Ͱ͋ΔͨΊɼී௨ʹߦ͏ͱ͜Εͱಉ͡Φʔμʔͷܭࢉ͕͔͔࣌ؒͬ
ͯ͠·͏ɽ͔͜͠͠ΕɼΓସ͑ͷखॱΛ͢Δ͜
ͱʹΑΓɼ
V ¯
i jͱͯ͠ੜ͖Δϙςϯγϟϧͱಉ͡Φʔ μʔ·Ͱܭࢉ࣌ؒΛݮ͢Δ͜ͱ͕Ͱ͖Δ(48)ɽͦͷ݁Ռɼྫ͑
2
࣍ݩ࣓ؾۃࢠܥͷ߹ɼ֬తΧοτΦϑ๏ͷద༻ʹΑΓɼ
1
ϞϯςΧϧϩεςοϓ(52)ͨΓͷܭࢉ࣌ؒ
O (N
2)
͔ΒO (N)
ݮ͞ΕΔɽ͜͜Ͱɼ͜ͷҰݟحົͳ
SPS
ΞϧΰϦζϜΛΑΓྑ͘ཧղ͢ΔͨΊɼจݙ
(53)
ʹ͓͚ΔSPS
ΞϧΰϦζϜͷ࠶ܗࣜԽʹ͍ͭͯհ͢ΔɽͦͷͨΊʹ࠷ॳʹɼ࣍ࣜͰ ఆٛ͞ΕΔάϥϑม
{ g
i j}
Λಋೖ͢Δɿg
i j=⎧⎪⎪⎪⎨⎪⎪⎪⎩
0 V
i j͕V ˜
i jʹΓସ͑ΒΕͨ߹,1 V
i j͕V ¯
i jʹΓସ͑ΒΕͨ߹.(20)
࣍ʹɼࣜ
ωi j
(S
i,Sj; g
i j)
≡
⎧⎪⎪⎪⎨⎪⎪⎪⎩
e
−β{V˜i j(Si,Sj)+ΔVi j∗}(g
i j=0)
,e
−βV¯i j(Si,Sj)(g
i j=1)
,(21)
Ͱఆٛ͞ΕΔॏΈΛಋೖ͢Δɽ͜ΕɼSwendsen-Wang
ΞϧΰϦζϜ(19)Λ࠶ܗࣜԽ͢ΔࡍʹɼEdwards
ͱSokal
͕ಋೖͨ͠ॏΈ(54)ͱྨࣅͷͷͰ͋Δɽ
ͦͯ͠ɼ࣮
SPS
ΞϧΰϦζϜɼ֦ு͞Εͨঢ়ଶۭؒ
( {
Si}, { g
i j} )
ʹ͓͍ͯɼࣜP
SPS( {
Si}, { g
i j} ) ≡ Z
−1SPSi<jωi j
(S
i,Sj; g
i j)
,(22)
Ͱఆٛ͞ΕΔฏߧΛ࣮ݱ͢ΔϞϯςΧϧϩ๏ͱͳ͍ͬͯΔɽ͜͜Ͱɼ
Z
SPS≡ Tr
{Si},{gi j}
i<jωi j
(S
i,Sj; g
i j)
.(23)
ͦͯ͠ɼεςοϓ
(A)
ঢ়ଶม{
Si}
Λݻఆ͠ͳ͕Βά ϥϑม{ g
i j}
͚ͩΛߋ৽͢Δϓϩηεʹɼεςοϓ(B)
άϥϑม
{ g
i j}
Λݻఆ͠ͳ͕Βঢ়ଶม{
Si}
͚ͩΛߋ৽͢ΔϓϩηεʹରԠ͍ͯ͠Δɽ࣮ࡍʹɼεςοϓ
(A)
ͷભҠ֬ΛW
A( { g
i j} → { g
i j}|{
Si} )
ɼεςοϓ(B)
ͷભ Ҡ֬ΛW
B( {
Si} → {
Si}|{ g
i j} )
ͱ͢Δͱɼ͜ΕΒ࣍ͷৄࡉΓ߹͍݅Λຬͨ͢͜ͱ͕ࣔ͞ΕΔ(53)ɿ
P
SPS( {
Si}, { g
i j} )W
A( { g
i j} → { g
i j}|{
Si} )
=
P
SPS( {
Si}, { g
i j} )W
A( { g
i j} → { g
i j}|{
Si} )
,(24) P
SPS( {
Si}, { g
i j} )W
B( {
Si} → {
Si}|{ g
i j} )
=
P
SPS( {
Si}, { g
i j} )W
B( {
Si} → {
Si}|{ g
i j} )
.(25)
͜ͷ͜ͱɼ
SPS
ΞϧΰϦζϜͷฏߧ͕ࣜ(22)
Ͱ༩͑ΒΕΔ͜ͱΛ͍ࣔͯ͠Δɽ
࣍ʹɼ
SPS
ΞϧΰϦζϜͷฏߧ͕ࣜ(22)
Ͱ͋Δ͜ͱͷҙຯʹ͍ͭͯઆ໌͢Δɽࣜ
(16)
ɼ(17)
ɼ(18)
ɼ(21)
͔Β༰қʹࣔͤΔΑ͏ʹɼॏΈωi j
(S
i,Sj; g
i j)
࣍ͷੑ࣭Λຬͨ͢ɿ
Tr
gi j=0,1ωi j(S
i,Sj; g
i j)
=exp[ −β V
i j(S
i,Sj)]
.(26)
͜ͷ͔ࣜΒɼؔ
Z(
β)
ʹର͢Δɼ࣍ͷ৽͍͠දࣜΛ ಘΔɿZ(
β)
=Z
SPS(
β)
=
Tr
{gi j},{Si}
i<jωi j
(S
i,Sj; g
i j)
.(27)
·ͨࣜ
(26)
ɼSPS
ΞϧΰϦζϜʹ͓͍ͯ͋Δঢ়ଶ{
Si}
͕࣮ݱ͢Δ֬ɼࣜ
P( {
Si} )
=Tr
{gi j}P
SPS( {
Si}, { g
i j} )
=P
B( {
Si} )
,(28)
Ͱ༩͑ΒΕΔ͜ͱΛҙຯ͢Δɽ͜͜Ͱ
P
BɼࣜP
B( {
Si} )
=Z(
β)
−1exp −β
i<j
V
i j(S
i,Sj)
,
(29)
Ͱఆٛ͞ΕΔϘϧπϚϯͰ͋Δɽ͜Ε͕ɼ
SPS
Ξϧ ΰϦζϜʹΑͬͯϘϧπϚϯʹैͬͨঢ়ଶαϯϓϦ ϯά͕Մೳͳཧ༝Ͱ͋Δɽ͜ͷΑ͏ʹɼݩʑͷঢ়ଶม
{
Si}
ʹάϥϑม{ g
i j}
Λ Ճ͑ͨɼ֦ு͞Εͨঢ়ଶۭؒ( {
Si}, { g
i j} )
ʹ͓͍ͯɼঢ়ଶ มͱάϥϑมΛަޓʹߋ৽͢ΔϞϯςΧϧϩ๏ͷ͜ͱ Λɼdual
ϞϯςΧϧϩ๏ͱݴ͏(55,56)ɽલड़ͷڧ࣓ੑΠδ ϯάεϐϯϞσϧʹ͓͚ΔΫϥελʔΞϧΰϦζϜ(19,20)ྔࢠϞϯςΧϧϩ๏ʹ͓͚Δ
loop
ΞϧΰϦζϜ(24)ͳ Ͳɼdual
ϞϯςΧϧϩ๏ͷҰछͰ͋Δɽ࣍ʹࣜ
(27)
ʹΑΔؔͷදݱʹ͍ͭͯઆ໌͢Δɽ͜Εɼڧ࣓ੑϙοπϞσϧͷؔͷ
Fourtuin- Kasteleyn
දݱ(22,23)ͷҰൠԽͱͳ͍ͬͯΔɽ࣮ࡍɼࣜ(27)
Λڧ࣓ੑϙοπϞσϧʹద༻͢Δ͜ͱʹΑΓɼݩʑ ͷFourtuin-Kasteleyn
දݱΛಋग़Ͱ͖Δ(53)ɽࣜ(27)
ʹΑ ΔදݱɼݩʑͷFourtuin-Kasteleyn
දݱͱൺͯɼҎ Լͷ2
ʹ͓͍ͯΑΓҰൠతͰ͋Δɿ1)
ࣜ(27)
ʹΑΔදݱͰϙςϯγϟϧV ˜
i jΛҙʹબ Ϳ͜ͱ͕Ͱ͖ΔɽଞํɼݩʑͷFourtuin-Kasteleyn
දݱV ˜
i j=0
ͱ͍͏ಛผͳ߹ʹ૬͍ͯ͠Δɽ2)
ݩʑͷFourtuin-Kasteleyn
දݱڧ࣓ੑϙοπϞσ ϧͰͷΈ༗ޮͳදݱͳͷʹର͠ɼࣜ(27)
ʹΑΔද ݱҙͷϙςϯγϟϧV
i j(S
i,Sj)
ʹର͠ద༻ՄೳͰ͋Δɽ
͜ͷҰൠԽ͞Εͨ
Fourtuin-Kasteleyn
දݱΛ༻͍Δ͜ͱͰɼ֬తΧοτΦϑ๏Ͱར༻Մೳͳɼز͔ͭͷ༗ӹ ͳදࣜΛಘΔ͜ͱ͕Ͱ͖Δɽࣜ
(27)
ͷؔΛʢٯʣ ԹͰඍ͢Δ͜ͱʹΑΓɼฏۉΤωϧΪʔൺʹ ର͢Δද͕ࣜಘΒΕΔ͕(53)ɼ͜ΕΒͷදࣜV ¯
i jͱͯ͠ੜ͖߲ͬͨʹର͢ΔͷܗͰॻ͖ද͞ΕΔɽͦͯ͠ɼ֬
తΧοτΦϑ๏ʹ͓͚ΔϙςϯγϟϧΓସ͑Λߦ͏
ͱɼେ෦ͷ߲
V ˜
i j=0
ʹΓସΘΔ͜ͱʹΑΓΧο τΦϑ͞ΕΔͷͰɼฏۉΤωϧΪʔൺΛධՁ͢ΔͨΊͷܭࢉ࣌ؒΛେ෯ʹݮ͢Δ͜ͱ͕Ͱ͖Δɽ·ͨจ ݙ
(53)
ͰɼϨϓϦΧަ๏ͷަ֬ʹର͢Δදࣜಋग़͍ͯ͠Δͷ͕ͩɼͦΕΛ༻͍Δ͜ͱʹΑΓɼަ֬
ͷܭࢉ࣌ؒΛେ෯ʹݮ͢Δ͜ͱ͕Ͱ͖Δɽ
9. ֬తΧοτΦϑ๏ͷద༻ྫ
࠷ॳʹɼ֬తΧοτΦϑ๏ͷ
2
࣍ݩ࣓ؾۃࢠܥͷద༻݁Ռ(48)Λհ͢Δɽ͜ͷܥͷϋϛϧτχΞϯࣜ
H
=− J
i jSi
·
Sj+
D
i<j
⎡⎢⎢⎢⎢⎢
⎣Si
·
Sjr
i j3− 3 (S
i·
ri j)(S
j·
ri j) r
5i j⎤⎥⎥⎥⎥⎥
⎦,
(30)
Ͱ༩͑ΒΕΔɽ͜͜ͰSiେ͖͞
1
ͷݹయϋΠθϯϕ ϧΫεϐϯΛɼri j֨ࢠi
͔Β֨ࢠj
͔͏ϕΫ τϧΛɼr
i j=|
ri j|
ͦͷେ͖͞Λද͢ɽ֨ࢠ2
࣍ݩਖ਼ํ֨ࢠͰ͋Δɽӈลͷୈ
1
߲ڧ࣓ੑతަ૬ޓ࡞༻Λɼୈ
2
߲࣓ؾۃࢠ૬ޓ࡞༻Λද͢ɽ·ͨɼC
,D
ਤ2 2࣍ݩ࣓ؾۃࢠܥʹ͓͚Δ1ϞϯςΧϧϩεςοϓͨ
Γͷܭࢉ࣌ؒͷαΠζґଘੑ(48)ɽԣ࣠Nεϐϯɽ࢛͕֯֬
తΧοτΦϑ๏ͷɼؙ͕௨ৗͷϞϯςΧϧϩ๏ͷ݁Ռɽ
ਤ3 ֬తΧοτΦϑ๏ʹ͓͍ͯV¯i jͱͯ͠ੜ͖ͬͨɼ1α ΠτͨΓͷϙςϯγϟϧͷԹґଘੑ(48)ɽ
ͦΕͧΕͷ૬ޓ࡞༻ͷڧ͞Λද͓ͯ͠Γɼ
D
/J
=0
.1
ͱ͍ͯ͠Δɽ
ਤ
2
1
ϞϯςΧϧϩεςοϓͨΓͷܭࢉ࣌ؒͷα ΠζґଘੑΛ͍ࣔͯ͠Δɽ࢛͕֯֬తΧοτΦϑ๏ͷɼؙ͕௨ৗͷϞϯςΧϧϩ๏ͷ݁ՌͰ͋Δɽ௨ৗͷϞϯς Χϧϩ๏Ͱܭࢉ͕࣌ؒεϐϯ
N
ͷ2
ʹൺྫ͍ͯ͠Δͷʹର͠ɼ֬తΧοτΦϑ๏Ͱ
N
ʹൺྫ͓ͯ͠Γɼܭࢉ͕࣌ؒେ෯ʹॖ͞Ε͍ͯΔɽ࣍ʹɼ֬తΧο τΦϑ๏ʹ͓͍ͯ
V ¯
i jͱͯ͠ੜ͖ͬͨɼ1
αΠτͨΓͷϙςϯγϟϧͷԹґଘੑΛࣔͨ͠ͷ͕ਤ
3
Ͱ͋Δɽ֬తΧοτΦϑ๏࣓ؾۃࢠ૬ޓ࡞༻ʹରͯ͠
ͷΈద༻͍ͯ͠ΔɽҰൠʹ֬తΧοτΦϑ๏Ͱɼ
Թ΄Ͳ
V ¯
i jͱͯ͠ੜ͖Δϙςϯγϟϧͷ͕૿͑Δ͕͋Δͷ͕ͩɼਤ
3
͔Βͦͷ͕ಡΈऔΕΔɽ·ͨɼαΠζ͕૿͑ΔͱϙςϯγϟϧͷΘ͔ͣʹ૿͑
͍ͯΔɽ͔͠͠ɼͲͷԹɾαΠζʹ͓͍ͯɼϙςϯ
ਤ4 ബບ࣓ੑମʹ͓͚Δɼ2ͭͷ࣓Խͷؔͱͯ͠ͷࣗ༝Τω ϧΪʔF(m⊥,m)ͷଌఆ݁Ռ(57)ɽεϐϯ࠶ྻసҠԹTSRT 0.33Jɼ͜͜ͰJަ૬ޓ࡞༻ΤωϧΪʔɽࠨT<TSRTɼӈ
T>TSRTͷ݁ՌɽΧϥʔϓϩοτ͍ͯ͠ΔྔFdiff≡F−Fminɼ
͜͜ͰFmin≡min(m⊥,m)F(m⊥,m)ɽ࣮ઢFdiff ≤TΛຬͨ͢
ࣗ༝ΤωϧΪʔྖҬΛࣔ͢ɽ
γϟϧ͔͕ͨͩ
25
ఔͰ͋ΔɽͦΕʹର͠ɼྫ͑L
=256
ʢL
1
ลͨΓͷ֨ࢠͷʣͷ߹ɼݩʑ ͷϙςϯγϟϧ1
αΠτͨΓ256
2− 1
=65
,535
Ͱ͋Γɼ͜ͷ͜ͱϙςϯγϟϧΓସ͑ʹΑΓେ෦ͷ૬ޓ࡞༻͕ΧοτΦϑ͞Ε͍ͯΔ͜ͱΛ͍ࣔͯ͠Δɽ
࣍ʹɼڧ࣓ੑബບͷݚڀʹ֬తΧοτΦϑ๏Λద༻
ͨ݁͠Ռʹ͍ͭͯհ͢Δ(57)ɽਨ࣓ؾҟํੑΛ༗͢Δ ڧ࣓ੑബບͰɼਨ࣓ؾҟํੑͱ࣓ؾۃࢠ૬ޓ࡞༻
ͷڝ߹ʹΑΓɼԹͷԼͱڞʹ࣓Խͷ͖͕໘ํ
͔Β໘ํʹมԽ͢Δɼεϐϯ࠶ྻసҠ͕͠͠
؍ଌ͞ΕΔ(58,59)ɽਤ
4
ɼͦͷڧ࣓ੑബບʹ͓͚Δɼ2
ͭͷ࣓Խͷؔͱͯ͠ͷࣗ༝ΤωϧΪʔ
F (m
⊥,m
)
ͷଌ ఆ݁ՌͰ͋Δ(57)ɽ͜͜Ͱm
⊥࣓Խͷ໘ɼm
໘Ͱ͋Δɽզʑɼࣗ༝ΤωϧΪʔʹؔ͢ΔϚϧν ΧϊχΧϧ๏(60)ͱ֬తΧοτΦϑ๏ΛΈ߹ΘͤΔ͜
ͱͰɼڑ૬ޓ࡞༻ܥʹ͓͍ͯࣗ༝ΤωϧΪʔΛޮ
తʹଌఆ͢Δख๏Λ։ൃ͍ͯ͠Δͷ͕ͩ(61)ɼຊଌఆͰ
͜ͷख๏Λ༻͍͍ͯΔɽࣗ༝ΤωϧΪʔ͕͍࣓Խ΄Ͳ
࣮ݱ͕֬ߴ͍ͷ͕ͩɼਤΑΓɼ
T
>T
SRTʢT
SRTε ϐϯ࠶ྻసҠԹʣͰ(m
⊥,m
) ≈ (0
,0
.6)
ɼT
<T
SRT Ͱ(m
⊥,m
) ≈ (0
.75
,0
.15)
ʹࣗ༝ΤωϧΪʔͷ࠷খ͕͋ΓɼసҠԹΛڥʹ࠷খͷҐஔ͕ෆ࿈ଓʹมԽ͠
͍ͯΔ༷ࢠ͕ݟͯऔΕΔɽ
10. ·ͱΊ
Ҏ্ۦ͚Ͱ͕͋ͬͨɼ౷ܭཧʹ͓͚ΔϞϯςΧϧ ϩ๏ʹ͍ͭͯ֓આͨ͠ɽຊߘͰհͨ͠ͷϞϯςΧϧ ϩ๏ͷҰ෦Ͱ͋Γɼଞʹྔࢠܥʹ͓͚ΔϞϯςΧϧϩ
๏ɼཻࢠܥʹ͓͚ΔϞϯςΧϧϩ๏ɼΠϕϯτυϦϒϯ ܕϞϯςΧϧϩ๏ͳͲɼࢴ໘ͷ্ؔઆ໌ΛׂѪͨ͠ख
๏͕ଟ͋͘ΔɽϞϯςΧϧϩ๏ʹ͍ͭͯΑΓৄ͘͠
Γ͍ͨํɼจݙ
(62
,63)
ͳͲΛࢀߟʹ͖͍ͯͨ͠ɽୈ
1
અͰड़ͨΑ͏ʹɼϞϯςΧϧϩ๏ҙͷ֬Ͱͷঢ়ଶੜΛՄೳͱ͢ΔۃΊͯ൚༻తͳΞϧΰ ϦζϜͰ͋Γɼͦͷద༻ൣғཧɾֶɾֶɾੜ
ֶɾۚ༥ֶͳͲɼඇৗʹଟذʹΔɽ͠ຊߘʹΑΓ ϞϯςΧϧϩ๏ʹڵຯΛ͚࣋ͬͯͨͳΒɼචऀͱͯ͠
ਙͷࢸΓͰ͋Δɽ
ँࣙ
ຊߘͷݚڀՌͷҰ෦
JSPS
Պݚඅएखݚڀ(B)
21740279
ͷॿΛड͚ͨͷͰ͢ɽࢀߟจݙ
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