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deep learning Geometric Michael Bronstein
deep learning
1958 1959 1982 1987 1995 1997 1998 1999 2006 2012 2014 2015
Perceptron
Rosenblatt
Visual cortex
Hubel&Wiesel
Backprop
Werbos
Neurocognitron
Fukushima
RNN / LSTM
Schmidhuber
CNN
LeCun
Autoencoder
LeCun, Hinton
2010 2016 2017 2018
Computation Data Algorithms
Imagenet breakthrough
Krizhevsky
Computer vision Speech & language Healthcare
“classical” computer vision
handcrafted features
SVM face
layer 1 layer 2 layer 3
deep learning era
learnable task-specific features
Euclidean Non-Euclidean
geometric deep learning
NIPS 2017 tutorial on geometric deep learning (>2000 participants)
Faceshift (acquired by Apple in 2015)
Images: Faceshift
Analysis Synthesis
Non-Euclidean Euclidean
Convolutional neural network on surfaces
Boscaini, Masci, B, Vandergheynst 2015
Monti, Boscaini, Masci, Rodola, Svoboda, B 2017
Deformable 3D shape correspondence learned with intrinsic CNN
Graphs & networks Surfaces
Monti, Boscaini, Masci, Rodola, Svoboda, B 2017
Deformable 3D shape correspondence learned with intrinsic CNN
gender age work birthplace education religion
Graphs & networks Surfaces
Vosoughi et al. 2018
Did 'Muslim Migrants' Attack a Catholic Church? A video of pro-migrant protesters being removed from the Basilica of Saint-Denis in France was shared with the inflammatory and incorrect claim that it shows Muslim immigrants attacking a church.
US Patent 15006694; multiple patents pending
Federico Monti Ernesto Schmitt Damon
Mannion
Image: Netflix
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100K × 10M ?
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7 7
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Monti, B, Bresson 2017
Ying et al. 2018
3B nodes 18B edges
Henrion et al. 2017
Image: IceCube neutrino observatory
Choma, Monti, Gerhardt, Palczewski, Ronaghi, Prabhat, Bhimji, B, Klein, Bruna 2018
Example of IceCube detected event
PD-1 PD-L1
Bruno Correia Pablo Gainza
Disembodied binding sites
Designed ligand
Database of side chain surface fingerprints
Database of scaffold surface fingerprints
Target protein
… Manifold
CNN
Manifold CNN
Designed seed
Com
puta
tion
al c
ost
Experiment
10-2
103
105
107
Sp
ace
siz
e
1012
109
106
103
1060
All synthesizable mid-size molecules
Candidate drug
Com
puta
tion
al c
ost
Schrödinger
Experiment
10-2
103
105
107
Sp
ace
siz
e
1012
109
106
103
1060
All synthesizable mid-size molecules
Candidate drug
Com
puta
tion
al c
ost
DFT
Schrödinger
Experiment
10-2
103
105
107
Sp
ace
siz
e
1012
109
106
103
1060
All synthesizable mid-size molecules
Candidate drug
Duvenaud et al. 2015; Gilmer et al. 2017
Com
puta
tion
al c
ostGraph CNN
DFT
Schrödinger
Experiment
10-2
103
105
107
Sp
ace
siz
e
1012
109
106
103
1060
All synthesizable mid-size molecules
Candidate drug
Duvenaud et al. 2015; Gilmer et al. 2017
toxicity, solubilit y,
e ciency...
En
cod
er
gra
ph
CN
N
Analysis: predicting physical and chemical properties
Enco
der
gra
ph C
NN
Deco
der
gra
ph
CN
N
Continuous representation
space of molecules
Gomez-Bombarelli et al. 2016; Cao, Kipf 2018
Synthesis: generating molecules with desired properties
5000 drugs
>1011 drug pairs
Zitnik et al. 2018
Zitnik et al. 2018
Zitnik et al. 2018
Kirill Veselkov Jozef Youssef
“food passport”
geometric deep learning .com
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