Upgrade to Pro
— share decks privately, control downloads, hide ads and more …
Speaker Deck
Features
Speaker Deck
PRO
Sign in
Sign up for free
Search
Search
MD-DSC研究会講演資料:『機械学習コンペティションの実際とその意義』/ Practice ...
Search
m_mochizuki
January 22, 2019
Science
1
1.2k
MD-DSC研究会講演資料:『機械学習コンペティションの実際とその意義』/ Practice on ML competition and its significance
2019年1月22日 医療・創薬 データサイエンスコンソーシアム研究会 講演資料
m_mochizuki
January 22, 2019
Tweet
Share
More Decks by m_mochizuki
See All by m_mochizuki
SIGNATE: 日本取引所グループ ファンダメンタルズ分析チャレンジ 1位解法 / the 1st place solution of JPX Fundamentals Analysis Challenge on SIGNATE
m_mochizuki
4
12k
SIGNATE: 日本取引所グループ ファンダメンタルズ分析チャレンジ 暫定1位解法 / the provisional 1st place solution of JPX Fundamentals Analysis Challenge on SIGNATE
m_mochizuki
3
9.4k
コンペティションから見るAI創薬/AI drug discovery in the view of competitions
m_mochizuki
2
1.5k
Other Decks in Science
See All in Science
Gemini Prompt Engineering: Practical Techniques for Tangible AI Outcomes
mfonobong
2
160
機械学習 - 授業概要
trycycle
PRO
0
240
Accelerated Computing for Climate forecast
inureyes
PRO
0
120
CV_3_Keypoints
hachama
0
200
論文紹介 音源分離:SCNET SPARSE COMPRESSION NETWORK FOR MUSIC SOURCE SEPARATION
kenmatsu4
0
310
データベース06: SQL (3/3) 副問い合わせ
trycycle
PRO
1
620
データから見る勝敗の法則 / The principle of victory discovered by science (open lecture in NSSU)
konakalab
1
150
AIによる科学の加速: 各領域での革新と共創の未来
masayamoriofficial
0
120
オンプレミス環境にKubernetesを構築する
koukimiura
0
350
05_山中真也_室蘭工業大学大学院工学研究科教授_だてプロの挑戦.pdf
sip3ristex
0
640
知能とはなにかーヒトとAIのあいだー
tagtag
0
120
academist Prize 4期生 研究トーク延長戦!「美は世界を救う」っていうけど、どうやって?
jimpe_hitsuwari
0
170
Featured
See All Featured
Java REST API Framework Comparison - PWX 2021
mraible
33
8.8k
How to Create Impact in a Changing Tech Landscape [PerfNow 2023]
tammyeverts
53
3k
RailsConf & Balkan Ruby 2019: The Past, Present, and Future of Rails at GitHub
eileencodes
139
34k
A designer walks into a library…
pauljervisheath
207
24k
[RailsConf 2023] Rails as a piece of cake
palkan
57
5.8k
Exploring the Power of Turbo Streams & Action Cable | RailsConf2023
kevinliebholz
34
6k
Building Applications with DynamoDB
mza
96
6.6k
Making Projects Easy
brettharned
117
6.4k
Faster Mobile Websites
deanohume
309
31k
Performance Is Good for Brains [We Love Speed 2024]
tammyeverts
12
1.1k
Responsive Adventures: Dirty Tricks From The Dark Corners of Front-End
smashingmag
252
21k
YesSQL, Process and Tooling at Scale
rocio
173
14k
Transcript
-) M S C AI : a 01 /01 21
( c 9 ( A C D 9 9
h a ( 21 1- 40 o( c A 76:
6:7 ) ) M 7 r ( z ( k I i u 7 s
0 S 234 43
1 S e 1 S e 1 S e 7 T 1 S e An J 6 DS GECJ 5A J AI o BE C P DS
n 4 n n
). 4 421 34 ( 42 42 5 42 !#"
$ #
"53 4(")) 6 -2*:1#'$&/, (96.+ !%7 804
7 n G l e n 11 y G n
s rt ce H S 7f R e o S n 7 l g 2 1 R7 g p S l n A f S 1 0 10R d 7 n Q i S G
n A DK
n A B I 4 n 4 O ( )
ONP4 Virtual screening … +(&,' ! !1 !2 !3 $ +(&,' " %!* # ) screening * # virtual screening
n K 967 ( # &).0 *! "%*@
=1;=>* *(400) 4?:<A5).0 “”* */$, 862?3' +(-OK
I T n 0,.. BD C7B99 icf [ L ?
1 20 N R ( ? F ,. 7 )7 0: : 0 . 0 R ( ] YSe y [ af ] ] : 9B B D ultm h s ui gi frns ui I ] ] [ vp [d [ Mg I 1 DC ? 2 C 8 ( ) ) ( 5
( 7 2 Extended Connectivity Fingerprint Functional Connectivity Fingerprint Topological
Torsions Atom Pairs Fingerprint RDKit Fingerprint Avalon fingerprint !fingerprint (6) 70 Random Forest Extremely Randomized Trees Gradient Boosted Trees Multilayer perceptron Support Vector Regression ! $)%(&' (5) 65 = 30# Elastic Net Pfinal Level 0 Level 1 " # 1 2 ) ):
Fingerprint ECFP FCFP TT AP RDK AVLN F-Stacking RF
0.848 0.855 0.816 0.686 0.652 0.722 0.892 ERT 0.869 0.889 0.844 0.798 0.671 0.768 0.907 GBT 0.852 0.864 0.835 0.808 0.733 0.758 0.891 MLP 0.802 0.777 0.623 0.814 0.651 0.712 0.895 SVR 0.856 0.852 0.688 0.763 0.662 0.693 0.877 L-Stacking 0.890 0.911 0.870 0.881 0.799 0.846 0.930 FL-Stacking Level0 ROC-AUC (3 )1)072 n 0 3 0 0
1 n o y mls))(,D ipF e n )- JA
H DN TB a e a n AB a e R )-0 1 18 2 6 1 - 6 1 0 1 r tqR ni +*, )('! #% )('! " $& +*,
1 5 n C ( 2 N3 8B? T DG
1 ) ) )1 1 ) ) ) ) 1 1 ) ) ) ) )1 1 1 1 1 1 1 6 A B 0 T DG 1 ) ) ) ) ) 1 1 ) ) ) 1 1 ) ) ) ) ) )1 1 1 1 1 1 1 0 J J :
)1 ( 6 1 3 n WR N TF.::A, c
n TF 22 a .2 32 iJ M eb gd h , A .: 1 5: B D8 , 0 /B: 2 CDB: C:8 ) (
B (A N 7 /: 7 n 5,-* 3/ %'
0)!(%'23/"1470)6 .#$+# & ) D 7 /: 7 7 /: 7J 1
1 8 B F J D n 0. 1 1
F : D B A 1 0 0 0 0.00 0.00 C 0 1 0 0 1.00 0.00 T 0 0 0 1 0.99 0.00 T 0 0 0 1 0.99 0.00 … G 0 0 1 0 0.41 0.00 A 1 0 0 0 0.00 0.00 ()
1 ( : 2 DJ B ) 9 n t
i D c Ai D A A he N D ? ? rs Aam n t ul o u Ai ? n D ( ( ) A Aam
: B 2 n A- U O10 26 . 0
n 2 . 8 0 ( J D : ) : (0)2 : 4 C A R
9B 00.1 5 AB: D 6 O C D J
C D C D ia k S 98 32 -4 ) ( n C - D n cg 3 ia k n B e N d n
n - 2
i I a v L ( we IT s I . 0 228 8 c n ) ) uhn yp n c bD I n log P r c bD t I d k( : ( . 0 .8 / 11 . 1 2
21 n ( e n a K l n 3
) g )
4 2 n 3 t 1 o r ru 2
a i 1 o ru ) 2 l1 ru 1es 2 1 r f K2 n (( h g g K2
5 5 n 2 5 ( ) ) n :
)
1 2 6 1 3 .(2 n 0 n 0
3 ) 2 n 0 0 1 1 3 n n 0 1 2