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20212024
most citedDrugOOD: Out-of-Distribution (OOD) Dataset Curator and Benchmark for AI-aided Drug Discovery -- A Focus on Affinity Prediction Problems with Noise Annotations

21 citations · 23 across the 4 of their papers we have counts for

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5 papers · 1 filter

cs.LG2024

MGCP: A Multi-Grained Correlation based Prediction Network for Multivariate Time Series

Zhicheng Chen, Xi Xiao, Ke Xu +6

Multivariate time series prediction is widely used in daily life, which poses significant challenges due to the complex correlations that exist at multi-grained levels. Unfortunate…

cs.LG2023★ 2 cited

SEGNO: Generalizing Equivariant Graph Neural Networks with Physical Inductive Biases

Yang Liu, Jiashun Cheng, Haihong Zhao +5

Graph Neural Networks (GNNs) with equivariant properties have emerged as powerful tools for modeling complex dynamics of multi-object physical systems. However, their generalizatio…

cs.LG2022

Vertical Federated Linear Contextual Bandits

Zeyu Cao, Zhipeng Liang, Shu Zhang +5

In this paper, we investigate a novel problem of building contextual bandits in the vertical federated setting, i.e., contextual information is vertically distributed over differen…

cs.LG2022★ 21 cited

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 +16

AI-aided drug discovery (AIDD) is gaining increasing popularity due to its promise of making the search for new pharmaceuticals quicker, cheaper and more efficient. In spite of its…

cs.LG2021

FedGraphNN: A Federated Learning System and Benchmark for Graph Neural Networks

Chaoyang He, Keshav Balasubramanian, Emir Ceyani +11

Graph Neural Network (GNN) research is rapidly growing thanks to the capacity of GNNs in learning distributed representations from graph-structured data. However, centralizing a ma…