Removing Biases from Molecular Representations via Information Maximization

1 December 2023

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Papers citing "Removing Biases from Molecular Representations via Information Maximization"

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Title
An Information Criterion for Controlled Disentanglement of Multimodal Data Chenyu Wang Sharut Gupta Xinyi Zhang Sana Tonekaboni Stefanie Jegelka Tommi Jaakkola Caroline Uhler DRL 100 2 0 31 Oct 2024
Molecule-Morphology Contrastive Pretraining for Transferable Molecular Representation Cuong Q. Nguyen Dante A. Pertusi K. Branson AI4CE 37 12 0 27 Apr 2023
Conditional Contrastive Learning with Kernel Yao-Hung Hubert Tsai Tianqi Li Martin Q. Ma Han Zhao Kun Zhang Louis-Philippe Morency Ruslan Salakhutdinov 61 26 0 11 Feb 2022
Discovering Invariant Rationales for Graph Neural Networks Yingmin Wu Xiang Wang An Zhang Xiangnan He Tat-Seng Chua OOD AI4CE 170 234 0 30 Jan 2022
3D Infomax improves GNNs for Molecular Property Prediction Hannes Stärk Dominique Beaini Gabriele Corso Prudencio Tossou Christian Dallago Stephan Günnemann Pietro Lio AI4CE 92 208 0 08 Oct 2021
Can contrastive learning avoid shortcut solutions? Joshua Robinson Li Sun Ke Yu Kayhan Batmanghelich Stefanie Jegelka S. Sra SSL 100 146 0 21 Jun 2021
Self-supervised Graph-level Representation Learning with Local and Global Structure Minghao Xu Hang Wang Bingbing Ni Hongyu Guo Jian Tang SSL 52 212 0 08 Jun 2021
Fairness without Demographics through Adversarially Reweighted Learning Preethi Lahoti Alex Beutel Jilin Chen Kang Lee Flavien Prost Nithum Thain Xuezhi Wang Ed H. Chi FaML 131 338 0 23 Jun 2020
Open Graph Benchmark: Datasets for Machine Learning on Graphs Weihua Hu Matthias Fey Marinka Zitnik Yuxiao Dong Hongyu Ren Bowen Liu Michele Catasta J. Leskovec 311 2,752 0 02 May 2020
A Simple Framework for Contrastive Learning of Visual Representations Ting-Li Chen Simon Kornblith Mohammad Norouzi Geoffrey E. Hinton SSL 390 18,897 0 13 Feb 2020
Momentum Contrast for Unsupervised Visual Representation Learning Kaiming He Haoqi Fan Yuxin Wu Saining Xie Ross B. Girshick SSL 216 12,136 0 13 Nov 2019
Inherent Tradeoffs in Learning Fair Representations Han Zhao Geoffrey J. Gordon FaML 70 218 0 19 Jun 2019
Contrastive Multiview Coding Yonglong Tian Dilip Krishnan Phillip Isola SSL 182 2,409 0 13 Jun 2019
Learning Representations by Maximizing Mutual Information Across Views Philip Bachman R. Devon Hjelm William Buchwalter SSL 195 1,479 0 03 Jun 2019
mixup: Beyond Empirical Risk Minimization Hongyi Zhang Moustapha Cissé Yann N. Dauphin David Lopez-Paz NoLa 316 9,815 0 25 Oct 2017
MoleculeNet: A Benchmark for Molecular Machine Learning Zhenqin Wu Bharath Ramsundar Evan N. Feinberg Joseph Gomes C. Geniesse Aneesh S. Pappu K. Leswing Vijay S. Pande OOD 343 1,838 0 02 Mar 2017
Equality of Opportunity in Supervised Learning Moritz Hardt Eric Price Nathan Srebro FaML 236 4,341 0 07 Oct 2016
Certifying and removing disparate impact Michael Feldman Sorelle A. Friedler John Moeller C. Scheidegger Suresh Venkatasubramanian FaML 212 1,996 0 11 Dec 2014
Unsupervised Domain Adaptation by Backpropagation Yaroslav Ganin Victor Lempitsky OOD 249 6,043 0 26 Sep 2014
Representation Learning: A Review and New Perspectives Yoshua Bengio Aaron Courville Pascal Vincent OOD SSL 286 12,460 0 24 Jun 2012