Towards out-of-distribution generalizable predictions of chemical
kinetics properties

Towards out-of-distribution generalizable predictions of chemical kinetics properties

4 October 2023

Bo Han

Papers citing "Towards out-of-distribution generalizable predictions of chemical kinetics properties"

7 / 7 papers shown

Title
A Survey of Graph Neural Networks in Real world: Imbalance, Noise, Privacy and OOD Challenges Wei Ju Siyu Yi Yifan Wang Zhiping Xiao Zhengyan Mao ... Senzhang Wang Xinwang Liu Xiao Luo Philip S. Yu Ming Zhang AI4CE 34 36 0 07 Mar 2024
When Graph Neural Network Meets Causality: Opportunities, Methodologies and An Outlook Wenzhao Jiang Hao Liu Hui Xiong CML AI4CE 24 2 0 19 Dec 2023
Discovering Invariant Rationales for Graph Neural Networks Yingmin Wu Xiang Wang An Zhang Xiangnan He Tat-Seng Chua OOD AI4CE 89 222 0 30 Jan 2022
DrugOOD: Out-of-Distribution (OOD) Dataset Curator and Benchmark for AI-aided Drug Discovery -- A Focus on Affinity Prediction Problems with Noise Annotations Yuanfeng Ji Lu Zhang Jiaxiang Wu Bing Wu Long-Kai Huang ... Ping Luo Shuigeng Zhou Junzhou Huang Peilin Zhao Yatao Bian OOD 54 73 0 24 Jan 2022
Mapping the Space of Chemical Reactions Using Attention-Based Neural Networks P. Schwaller Daniel Probst Alain C. Vaucher Vishnu H. Nair D. Kreutter Teodoro Laino J. Reymond 125 220 0 09 Dec 2020
Out-of-Distribution Generalization via Risk Extrapolation (REx) David M. Krueger Ethan Caballero J. Jacobsen Amy Zhang Jonathan Binas Dinghuai Zhang Rémi Le Priol Aaron Courville OOD 215 888 0 02 Mar 2020
Domain-Adversarial Training of Neural Networks Yaroslav Ganin E. Ustinova Hana Ajakan Pascal Germain Hugo Larochelle François Laviolette M. Marchand Victor Lempitsky GAN OOD 149 9,300 0 28 May 2015