$30 off During Our Annual Pro Sale. View Details »
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
13k
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
9.6k
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
1.6k
Other Decks in Science
See All in Science
Accelerated Computing for Climate forecast
inureyes
PRO
0
140
データベース06: SQL (3/3) 副問い合わせ
trycycle
PRO
1
700
データベース14: B+木 & ハッシュ索引
trycycle
PRO
0
550
動的トリートメント・レジームを推定するDynTxRegimeパッケージ
saltcooky12
0
230
Cross-Media Technologies, Information Science and Human-Information Interaction
signer
PRO
3
31k
白金鉱業Vol.21【初学者向け発表枠】身近な例から学ぶ数理最適化の基礎 / Learning the Basics of Mathematical Optimization Through Everyday Examples
brainpadpr
1
410
Lean4による汎化誤差評価の形式化
milano0017
1
380
ド文系だった私が、 KaggleのNCAAコンペでソロ金取れるまで
wakamatsu_takumu
2
1.7k
データベース15: ビッグデータ時代のデータベース
trycycle
PRO
0
400
AI(人工知能)の過去・現在・未来 —AIは人間を超えるのか—
tagtag
0
130
My Little Monster
juzishuu
0
290
研究って何だっけ / What is Research?
ks91
PRO
2
160
Featured
See All Featured
Performance Is Good for Brains [We Love Speed 2024]
tammyeverts
12
1.3k
Exploring the Power of Turbo Streams & Action Cable | RailsConf2023
kevinliebholz
36
6.2k
Build your cross-platform service in a week with App Engine
jlugia
234
18k
Connecting the Dots Between Site Speed, User Experience & Your Business [WebExpo 2025]
tammyeverts
10
710
Automating Front-end Workflow
addyosmani
1371
200k
Balancing Empowerment & Direction
lara
5
790
For a Future-Friendly Web
brad_frost
180
10k
CoffeeScript is Beautiful & I Never Want to Write Plain JavaScript Again
sstephenson
162
15k
XXLCSS - How to scale CSS and keep your sanity
sugarenia
249
1.3M
Mobile First: as difficult as doing things right
swwweet
225
10k
Design and Strategy: How to Deal with People Who Don’t "Get" Design
morganepeng
132
19k
Sharpening the Axe: The Primacy of Toolmaking
bcantrill
46
2.6k
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