Low Data Drug Discovery with One-shot Learning

10 November 2016

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

50 / 56 papers shown

Title
Adaptive Backdoor Attacks with Reasonable Constraints on Graph Neural Networks Xuewen Dong Jiachen Li Shujun Li Zhichao You Qiang Qu Yaroslav Kholodov Yulong Shen AAML 38 0 0 12 Mar 2025
FlashVideo: Flowing Fidelity to Detail for Efficient High-Resolution Video Generation Shilong Zhang Wenbo Li Shoufa Chen Chongjian Ge Peize Sun Y. Zhang Yi-Xin Jiang Zehuan Yuan Binyue Peng Ping Luo DiffM VGen 99 3 0 07 Feb 2025
Multi-view biomedical foundation models for molecule-target and property prediction Parthasarathy Suryanarayanan Yunguang Qiu Shreyans Sethi Diwakar Mahajan Hongyang Li ... Bum Chul Kwon Pablo Meyer Feixiong Cheng Jianying Hu Joseph A. Morrone AI4CE 33 0 0 25 Oct 2024
FragNet: A Graph Neural Network for Molecular Property Prediction with Four Layers of Interpretability G. Panapitiya Peiyuan Gao C Mark Maupin Emily Saldanha AI4CE 39 1 0 16 Oct 2024
Unifying Unsupervised Graph-Level Anomaly Detection and Out-of-Distribution Detection: A Benchmark Yili Wang Yixin Liu Xu Shen Chenyu Li Kaize Ding Rui Miao Ying Wang Shirui Pan Xin Wang 42 8 0 21 Jun 2024
Knowledge-enhanced Relation Graph and Task Sampling for Few-shot Molecular Property Prediction Zeyu Wang Tianyi Jiang Yao Lu Xiaoze Bao Shanqing Yu Bin Wei Qi Xuan 42 1 0 24 May 2024
Advancing Extrapolative Predictions of Material Properties through Learning to Learn Kohei Noda Araki Wakiuchi Yoshihiro Hayashi Ryo Yoshida AI4CE 38 0 0 25 Mar 2024
MetaDiff: Meta-Learning with Conditional Diffusion for Few-Shot Learning Baoquan Zhang Chuyao Luo Demin Yu Huiwei Lin Xutao Li Yunming Ye Bowen Zhang DiffM 37 43 0 31 Jul 2023
A Comprehensive Survey on Deep Graph Representation Learning Wei Ju Zheng Fang Yiyang Gu Zequn Liu Qingqing Long ... Jingyang Yuan Yusheng Zhao Yifan Wang Xiao Luo Ming Zhang GNN AI4TS 48 141 0 11 Apr 2023
Molecular Property Prediction by Semantic-invariant Contrastive Learning Ziqiao Zhang Ailin Xie Jihong Guan Shuigeng Zhou 19 5 0 13 Mar 2023
Implicit Geometry and Interaction Embeddings Improve Few-Shot Molecular Property Prediction Christopher Fifty Joseph M. Paggi Ehsan Amid J. Leskovec R. Dror AI4CE 20 0 0 04 Feb 2023
A Penalty-Based Method for Communication-Efficient Decentralized Bilevel Programming Parvin Nazari Ahmad Mousavi Davoud Ataee Tarzanagh George Michailidis 23 4 0 08 Nov 2022
Knowledge-Driven New Drug Recommendation Zhenbang Wu Huaxiu Yao Zhe Su David M. Liebovitz Lucas Glass James Y. Zou Chelsea Finn Jimeng Sun 18 4 0 11 Oct 2022
Learning Symbolic Model-Agnostic Loss Functions via Meta-Learning Christian Raymond Qi Chen Bing Xue Mengjie Zhang FedML 29 11 0 19 Sep 2022
A comprehensive survey on recent deep learning-based methods applied to surgical data Mansoor Ali Rafael Martinez Garcia Peña Gilberto Ochoa-Ruiz Sharib Ali 19 6 0 03 Sep 2022
Graph neural networks for materials science and chemistry Patrick Reiser Marlen Neubert André Eberhard Luca Torresi Chen Zhou ... Houssam Metni Clint van Hoesel Henrik Schopmans T. Sommer Pascal Friederich GNN AI4CE 47 373 0 05 Aug 2022
Attention-wise masked graph contrastive learning for predicting molecular property Hui Liu Yibiao Huang Xuejun Liu L. Deng 17 33 0 02 May 2022
MolGenSurvey: A Systematic Survey in Machine Learning Models for Molecule Design Yuanqi Du Tianfan Fu Jimeng Sun Shengchao Liu AI4CE 31 86 0 28 Mar 2022
Learning to Discover Medicines T. Nguyen Thin Nguyen T. Tran 32 1 0 14 Feb 2022
Distribution Embedding Networks for Generalization from a Diverse Set of Classification Tasks Lang Liu M. M. Fard Sen Zhao OOD 23 3 0 04 Feb 2022
One-Shot Learning on Attributed Sequences Zhongfang Zhuang Xiangnan Kong Elke A. Rundensteiner Aditya Arora Jihane Zouaoui BDL 20 2 0 23 Jan 2022
IAC: A Framework for Enabling Patient Agency in the Use of AI-Enabled Healthcare Chinasa T. Okolo Michelle González Amador 13 0 0 29 Oct 2021
Property-Aware Relation Networks for Few-Shot Molecular Property Prediction Yaqing Wang Abulikemu Abuduweili Quanming Yao Dejing Dou 31 67 0 16 Jul 2021
Large-Scale Chemical Language Representations Capture Molecular Structure and Properties Jerret Ross Brian M. Belgodere Vijil Chenthamarakshan Inkit Padhi Youssef Mroueh Payel Das AI4CE 24 272 0 17 Jun 2021
What Can Knowledge Bring to Machine Learning? -- A Survey of Low-shot Learning for Structured Data Yang Hu Adriane P. Chapman Guihua Wen Dame Wendy Hall 42 24 0 11 Jun 2021
Artificial Intelligence in Drug Discovery: Applications and Techniques Jianyuan Deng Zhibo Yang Iwao Ojima Dimitris Samaras Fusheng Wang AI4TS 21 99 0 09 Jun 2021
Few-Shot Graph Learning for Molecular Property Prediction Zhichun Guo Chuxu Zhang W. Yu John E. Herr Olaf Wiest Meng-Long Jiang Nitesh V. Chawla AI4CE 116 169 0 16 Feb 2021
Predicting Chemical Properties using Self-Attention Multi-task Learning based on SMILES Representation Sangrak Lim Yong Oh Lee 17 17 0 19 Oct 2020
Drug discovery with explainable artificial intelligence José Jiménez-Luna F. Grisoni G. Schneider 30 625 0 01 Jul 2020
Self-supervised edge features for improved Graph Neural Network training Arijit Sehanobish N. Ravindra David van Dijk SSL 15 6 0 23 Jun 2020
Backdoor Attacks to Graph Neural Networks Zaixi Zhang Jinyuan Jia Binghui Wang Neil Zhenqiang Gong GNN 13 210 0 19 Jun 2020
One-Shot Recognition of Manufacturing Defects in Steel Surfaces Aditya M. Deshpande A. Minai Manish Kumar 13 58 0 12 May 2020
InteractionNet: Modeling and Explaining of Noncovalent Protein-Ligand Interactions with Noncovalent Graph Neural Network and Layer-Wise Relevance Propagation Hyeoncheol Cho E. Lee I. Choi GNN FAtt 17 4 0 12 May 2020
Meta-Learning in Neural Networks: A Survey Timothy M. Hospedales Antreas Antoniou P. Micaelli Amos Storkey OOD 43 1,928 0 11 Apr 2020
Autonomous discovery in the chemical sciences part II: Outlook Connor W. Coley Natalie S. Eyke K. Jensen 23 171 0 30 Mar 2020
Weighted Meta-Learning Diana Cai Rishit Sheth Lester W. Mackey Nicolò Fusi 27 12 0 20 Mar 2020
Assessing Graph-based Deep Learning Models for Predicting Flash Point Xiaoyu Sun Nathaniel J. Krakauer A. Politowicz Wei-Ting Chen Qiying Li ... Xianjia Shao Alfred Sunaryo Mingren Shen James Wang D. Morgan 11 20 0 26 Feb 2020
Machine Learning and Big Scientific Data Tony (Anthony) John Grenville Hey K. Butler Sam Jackson Jeyarajan Thiyagalingam AI4CE 28 74 0 12 Oct 2019
Molecular activity prediction using graph convolutional deep neural network considering distance on a molecular graph Masahito Ohue Ryota Keisuke Yanagisawa Y. Akiyama GNN 6 4 0 02 Jul 2019
SMILES-X: autonomous molecular compounds characterization for small datasets without descriptors G. Lambard Ekaterina Gracheva 19 20 0 20 Jun 2019
Relational Pooling for Graph Representations R. Murphy Balasubramaniam Srinivasan Vinayak A. Rao Bruno Ribeiro GNN 33 256 0 06 Mar 2019
Bayesian semi-supervised learning for uncertainty-calibrated prediction of molecular properties and active learning Yao Zhang A. Lee 14 101 0 03 Feb 2019
KekuleScope: prediction of cancer cell line sensitivity and compound potency using convolutional neural networks trained on compound images I. Cortés-Ciriano A. Bender MedIm 24 51 0 22 Nov 2018
MT-CGCNN: Integrating Crystal Graph Convolutional Neural Network with Multitask Learning for Material Property Prediction Soumya Sanyal J. Balachandran N. Yadati Abhishek Kumar Padmini Rajagopalan Suchismita Sanyal Partha P. Talukdar 19 48 0 14 Nov 2018
Dynamic Spectrum Matching with One-shot Learning Jinchao Liu S. Gibson James Mills Margarita Osadchy 17 37 0 23 Jun 2018
Bioinformatics and Medicine in the Era of Deep Learning D. Bacciu P. Lisboa José D. Martín R. Stoean A. Vellido AI4CE BDL 33 17 0 27 Feb 2018
Edge Attention-based Multi-Relational Graph Convolutional Networks Chao Shang Qinqing Liu Ko-Shin Chen Jiangwen Sun Jin Lu Jinfeng Yi J. Bi GNN 27 93 0 14 Feb 2018
Molecular Structure Extraction From Documents Using Deep Learning Joshua Staker Kyle Marshall Robert Abel Carolyn McQuaw 19 73 0 14 Feb 2018
Deep Learning in Pharmacogenomics: From Gene Regulation to Patient Stratification Alexandr A Kalinin Gerald A. Higgins Narathip Reamaroon S. M. Reza Soroushmehr Ari Allyn-Feuer I. Dinov Kayvan Najarian B. Athey OOD 36 122 0 25 Jan 2018
Adaptive Graph Convolutional Neural Networks Ruoyu Li Sheng Wang Feiyun Zhu Junzhou Huang GNN 26 746 0 10 Jan 2018