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Low Data Drug Discovery with One-shot Learning

Low Data Drug Discovery with One-shot Learning

10 November 2016
Han Altae-Tran
Bharath Ramsundar
Aneesh S. Pappu
Vijay S. Pande
ArXiv (abs)PDFHTML

Papers citing "Low Data Drug Discovery with One-shot Learning"

50 / 158 papers shown
Decentralized Stochastic Bilevel Optimization with Improved
  per-Iteration Complexity
Decentralized Stochastic Bilevel Optimization with Improved per-Iteration ComplexityInternational Conference on Machine Learning (ICML), 2022
Xuxing Chen
Minhui Huang
Shiqian Ma
Krishnakumar Balasubramanian
256
35
0
23 Oct 2022
Knowledge-Driven New Drug Recommendation
Knowledge-Driven New Drug Recommendation
Zhenbang Wu
Huaxiu Yao
Zhe Su
David M. Liebovitz
Lucas Glass
James Zou
Chelsea Finn
Jimeng Sun
137
4
0
11 Oct 2022
Learning Symbolic Model-Agnostic Loss Functions via Meta-Learning
Learning Symbolic Model-Agnostic Loss Functions via Meta-LearningIEEE Transactions on Pattern Analysis and Machine Intelligence (TPAMI), 2022
Christian Raymond
Qi Chen
Bing Xue
Mengjie Zhang
FedML
247
14
0
19 Sep 2022
Graph Neural Networks for Molecules
Graph Neural Networks for Molecules
Yuyang Wang
Zijie Li
A. Farimani
GNNAI4CE
341
50
0
12 Sep 2022
A comprehensive survey on recent deep learning-based methods applied to
  surgical data
A comprehensive survey on recent deep learning-based methods applied to surgical data
Mansoor Ali
Rafael Martinez Garcia Peña
Gilberto Ochoa-Ruiz
Sharib Ali
418
7
0
03 Sep 2022
Graph neural networks for materials science and chemistry
Graph neural networks for materials science and chemistryCommunications Materials (Commun. Mater.), 2022
Patrick Reiser
Marlen Neubert
André Eberhard
Luca Torresi
Chen Zhou
...
Houssam Metni
Clint van Hoesel
Henrik Schopmans
T. Sommer
Pascal Friederich
GNNAI4CE
344
594
0
05 Aug 2022
Prompting Decision Transformer for Few-Shot Policy Generalization
Prompting Decision Transformer for Few-Shot Policy GeneralizationInternational Conference on Machine Learning (ICML), 2022
Mengdi Xu
Songlin Yang
Shun Zhang
Yuchen Lu
Ding Zhao
J. Tenenbaum
Chuang Gan
OffRL
229
180
0
27 Jun 2022
Understanding and Extending Subgraph GNNs by Rethinking Their Symmetries
Understanding and Extending Subgraph GNNs by Rethinking Their SymmetriesNeural Information Processing Systems (NeurIPS), 2022
Fabrizio Frasca
Beatrice Bevilacqua
Michael M. Bronstein
Haggai Maron
308
152
0
22 Jun 2022
AutoTSG: Learning and Synthesis for Incident Troubleshooting
AutoTSG: Learning and Synthesis for Incident Troubleshooting
Manish Shetty
Chetan Bansal
Sai Pramod Upadhyayula
Arjun Radhakrishna
Anurag Gupta
144
26
0
26 May 2022
Meta-learning Adaptive Deep Kernel Gaussian Processes for Molecular
  Property Prediction
Meta-learning Adaptive Deep Kernel Gaussian Processes for Molecular Property PredictionInternational Conference on Learning Representations (ICLR), 2022
Jiajun He
Austin Tripp
José Miguel Hernández-Lobato
383
27
0
05 May 2022
Attention-wise masked graph contrastive learning for predicting
  molecular property
Attention-wise masked graph contrastive learning for predicting molecular propertybioRxiv (bioRxiv), 2022
Hui Liu
Yibiao Huang
Xuejun Liu
L. Deng
126
38
0
02 May 2022
AutoProtoNet: Interpretability for Prototypical Networks
AutoProtoNet: Interpretability for Prototypical Networks
Pedro Sandoval Segura
W. Lawson
81
2
0
02 Apr 2022
MolGenSurvey: A Systematic Survey in Machine Learning Models for
  Molecule Design
MolGenSurvey: A Systematic Survey in Machine Learning Models for Molecule Design
Yuanqi Du
Tianfan Fu
Jimeng Sun
Shengchao Liu
AI4CE
434
95
0
28 Mar 2022
Data-Efficient Graph Grammar Learning for Molecular Generation
Data-Efficient Graph Grammar Learning for Molecular GenerationInternational Conference on Learning Representations (ICLR), 2022
Minghao Guo
Veronika Thost
Beichen Li
Payel Das
Jie Chen
Wojciech Matusik
192
43
0
15 Mar 2022
MetaDT: Meta Decision Tree with Class Hierarchy for Interpretable
  Few-Shot Learning
MetaDT: Meta Decision Tree with Class Hierarchy for Interpretable Few-Shot Learning
Baoquan Zhang
Hao Jiang
Xutao Li
Shanshan Feng
Yunming Ye
Rui Ye
253
5
0
03 Mar 2022
Learning to Discover Medicines
Learning to Discover MedicinesInternational Journal of Data Science and Analysis (JDSA), 2022
T. Nguyen
Thin Nguyen
T. Tran
166
2
0
14 Feb 2022
Distribution Embedding Networks for Generalization from a Diverse Set of
  Classification Tasks
Distribution Embedding Networks for Generalization from a Diverse Set of Classification Tasks
Lang Liu
M. M. Fard
Sen Zhao
OOD
215
5
0
04 Feb 2022
One-Shot Learning on Attributed Sequences
One-Shot Learning on Attributed Sequences
Zhongfang Zhuang
Xiangnan Kong
Elke A. Rundensteiner
Aditya Arora
Jihane Zouaoui
BDL
191
2
0
23 Jan 2022
Improving Compound Activity Classification via Deep Transfer and
  Representation Learning
Improving Compound Activity Classification via Deep Transfer and Representation LearningACS Omega (ACS Omega), 2021
Vishal Dey
R. Machiraju
Xia Ning
AAML
217
4
0
14 Nov 2021
Incremental Meta-Learning via Episodic Replay Distillation for Few-Shot
  Image Recognition
Incremental Meta-Learning via Episodic Replay Distillation for Few-Shot Image Recognition
Kai Wang
Xialei Liu
Andrew D. Bagdanov
Luis Herranz
Shang Rui
Joost van de Weijer
CLLVLM
260
11
0
09 Nov 2021
IAC: A Framework for Enabling Patient Agency in the Use of AI-Enabled
  Healthcare
IAC: A Framework for Enabling Patient Agency in the Use of AI-Enabled Healthcare
Chinasa T. Okolo
Michelle González Amador
143
0
0
29 Oct 2021
Meta-learning via Language Model In-context Tuning
Meta-learning via Language Model In-context Tuning
Yanda Chen
Ruiqi Zhong
Sheng Zha
George Karypis
He He
538
191
0
15 Oct 2021
An In-depth Summary of Recent Artificial Intelligence Applications in
  Drug Design
An In-depth Summary of Recent Artificial Intelligence Applications in Drug Design
Yi Zhang
AI4CE
233
7
0
10 Oct 2021
Attentive Walk-Aggregating Graph Neural Networks
Attentive Walk-Aggregating Graph Neural Networks
M. F. Demirel
Shengchao Liu
Siddhant Garg
Zhenmei Shi
Yingyu Liang
272
11
0
06 Oct 2021
An Automated Scanning Transmission Electron Microscope Guided by Sparse
  Data Analytics
An Automated Scanning Transmission Electron Microscope Guided by Sparse Data Analytics
M. Olszta
Derek Hopkins
K. Fiedler
Marjolein Oostrom
Sarah Akers
Steven Spurgeon
137
20
0
30 Sep 2021
Prototype Completion for Few-Shot Learning
Prototype Completion for Few-Shot LearningIEEE Transactions on Pattern Analysis and Machine Intelligence (TPAMI), 2021
Baoquan Zhang
Xutao Li
Yunming Ye
Shanshan Feng
VLM
335
27
0
11 Aug 2021
Analysis of training and seed bias in small molecules generated with a
  conditional graph-based variational autoencoder -- Insights for practical
  AI-driven molecule generation
Analysis of training and seed bias in small molecules generated with a conditional graph-based variational autoencoder -- Insights for practical AI-driven molecule generationJournal of Chemical Information and Modeling (JCIM), 2021
Seung-gu Kang
Joseph A. Morrone
J. Weber
Wendy D. Cornell
156
8
0
19 Jul 2021
Property-Aware Relation Networks for Few-Shot Molecular Property
  Prediction
Property-Aware Relation Networks for Few-Shot Molecular Property PredictionIEEE Transactions on Pattern Analysis and Machine Intelligence (TPAMI), 2021
Yaqing Wang
Abulikemu Abuduweili
Quanming Yao
Dejing Dou
299
86
0
16 Jul 2021
Large-Scale Chemical Language Representations Capture Molecular
  Structure and Properties
Large-Scale Chemical Language Representations Capture Molecular Structure and PropertiesNature Machine Intelligence (Nat. Mach. Intell.), 2021
Jerret Ross
Brian M. Belgodere
Vijil Chenthamarakshan
Inkit Padhi
Youssef Mroueh
Payel Das
AI4CE
246
433
0
17 Jun 2021
What Can Knowledge Bring to Machine Learning? -- A Survey of Low-shot
  Learning for Structured Data
What Can Knowledge Bring to Machine Learning? -- A Survey of Low-shot Learning for Structured DataACM Transactions on Intelligent Systems and Technology (ACM TIST), 2021
Yang Hu
Adriane P. Chapman
Guihua Wen
Dame Wendy Hall
270
27
0
11 Jun 2021
Artificial Intelligence in Drug Discovery: Applications and Techniques
Artificial Intelligence in Drug Discovery: Applications and Techniques
Jianyuan Deng
Zhibo Yang
Iwao Ojima
Dimitris Samaras
Fusheng Wang
AI4TS
493
141
0
09 Jun 2021
Ranking the information content of distance measures
Ranking the information content of distance measuresPNAS Nexus (PNAS Nexus), 2021
Aldo Glielmo
C. Zeni
Bing Cheng
Gábor Csányi
Alessandro Laio
271
46
0
30 Apr 2021
Embedding Adaptation is Still Needed for Few-Shot Learning
Embedding Adaptation is Still Needed for Few-Shot Learning
Sébastien M. R. Arnold
Fei Sha
VLM
239
7
0
15 Apr 2021
Set-to-Sequence Methods in Machine Learning: a Review
Set-to-Sequence Methods in Machine Learning: a ReviewJournal of Artificial Intelligence Research (JAIR), 2021
Mateusz Jurewicz
Leon Derczynski
BDL
187
10
0
17 Mar 2021
Few-Shot Graph Learning for Molecular Property Prediction
Few-Shot Graph Learning for Molecular Property PredictionThe Web Conference (WWW), 2021
Zhichun Guo
Chuxu Zhang
Wenhao Yu
John E. Herr
Olaf Wiest
Meng Jiang
Nitesh Chawla
AI4CE
321
201
0
16 Feb 2021
On Episodes, Prototypical Networks, and Few-shot Learning
On Episodes, Prototypical Networks, and Few-shot LearningNeural Information Processing Systems (NeurIPS), 2020
Steinar Laenen
Luca Bertinetto
212
124
0
17 Dec 2020
Making Graph Neural Networks Worth It for Low-Data Molecular Machine
  Learning
Making Graph Neural Networks Worth It for Low-Data Molecular Machine Learning
Aneesh S. Pappu
Brooks Paige
GNNAI4CE
109
14
0
24 Nov 2020
Predicting Chemical Properties using Self-Attention Multi-task Learning
  based on SMILES Representation
Predicting Chemical Properties using Self-Attention Multi-task Learning based on SMILES RepresentationInternational Conference on Pattern Recognition (ICPR), 2020
Sangrak Lim
Yong Oh Lee
190
20
0
19 Oct 2020
Understanding and Exploiting Dependent Variables with Deep Metric
  Learning
Understanding and Exploiting Dependent Variables with Deep Metric LearningIntelligent Systems with Applications (ISA), 2020
Niall O' Mahony
S. Campbell
A. Carvalho
L. Krpalkova
G. Velasco-Hernández
Daniel Riordan
Joseph Walsh
117
1
0
08 Sep 2020
A Survey on Machine Learning from Few Samples
A Survey on Machine Learning from Few SamplesPattern Recognition (Pattern Recognit.), 2020
Jiang Lu
Pinghua Gong
Jieping Ye
Jianwei Zhang
Changshu Zhang
319
76
0
06 Sep 2020
Unravelling Small Sample Size Problems in the Deep Learning World
Unravelling Small Sample Size Problems in the Deep Learning WorldIEEE International Conference on Multimedia Big Data (ICMBD), 2020
Rohit Keshari
Soumyadeep Ghosh
S. Chhabra
Mayank Vatsa
Richa Singh
213
37
0
08 Aug 2020
MathNet: Haar-Like Wavelet Multiresolution-Analysis for Graph
  Representation and Learning
MathNet: Haar-Like Wavelet Multiresolution-Analysis for Graph Representation and Learning
Xuebin Zheng
Bingxin Zhou
Ming Li
Yu Guang Wang
Junbin Gao
168
2
0
22 Jul 2020
MetaConcept: Learn to Abstract via Concept Graph for Weakly-Supervised
  Few-Shot Learning
MetaConcept: Learn to Abstract via Concept Graph for Weakly-Supervised Few-Shot Learning
Baoquan Zhang
Ka-Cheong Leung
Yunming Ye
Xutao Li
190
1
0
05 Jul 2020
Drug discovery with explainable artificial intelligence
Drug discovery with explainable artificial intelligence
José Jiménez-Luna
F. Grisoni
G. Schneider
361
724
0
01 Jul 2020
Path Integral Based Convolution and Pooling for Graph Neural Networks
Path Integral Based Convolution and Pooling for Graph Neural Networks
Zheng Ma
Junyu Xuan
Yu Guang Wang
Ming Li
Pietro Lio
GNN
148
64
0
29 Jun 2020
Adversarial Multi-Source Transfer Learning in Healthcare: Application to
  Glucose Prediction for Diabetic People
Adversarial Multi-Source Transfer Learning in Healthcare: Application to Glucose Prediction for Diabetic People
Maxime De Bois
M. El-Yacoubi
M. Ammi
OODMedIm
69
38
0
29 Jun 2020
Leveraging Siamese Networks for One-Shot Intrusion Detection Model
Leveraging Siamese Networks for One-Shot Intrusion Detection Model
Hanan Hindy
Christos Tachtatzis
Robert C. Atkinson
David Brosset
Miroslav Bures
I. Andonovic
W. Michie
X. Bellekens
AAML
288
34
0
27 Jun 2020
Self-supervised edge features for improved Graph Neural Network training
Self-supervised edge features for improved Graph Neural Network training
Arijit Sehanobish
N. Ravindra
David van Dijk
SSL
147
6
0
23 Jun 2020
Gaining Insight into SARS-CoV-2 Infection and COVID-19 Severity Using
  Self-supervised Edge Features and Graph Neural Networks
Gaining Insight into SARS-CoV-2 Infection and COVID-19 Severity Using Self-supervised Edge Features and Graph Neural NetworksAAAI Conference on Artificial Intelligence (AAAI), 2020
Arijit Sehanobish
N. Ravindra
David van Dijk
SSL
130
18
0
23 Jun 2020
Backdoor Attacks to Graph Neural Networks
Backdoor Attacks to Graph Neural Networks
Zaixi Zhang
Jinyuan Jia
Binghui Wang
Neil Zhenqiang Gong
GNN
282
244
0
19 Jun 2020
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