419 citations · 932 across the 46 of their papers we have counts for
16 papers · 1 filter
ImDrug: A Benchmark for Deep Imbalanced Learning in AI-aided Drug Discovery
Lanqing Li, Liang Zeng, Ziqi Gao +11
The last decade has witnessed a prosperous development of computational methods and dataset curation for AI-aided drug discovery (AIDD). However, real-world pharmaceutical datasets…
Hierarchical Few-Shot Object Detection: Problem, Benchmark and Method
Lu Zhang, Yang Wang, Jiaogen Zhou +5
Few-shot object detection (FSOD) is to detect objects with a few examples. However, existing FSOD methods do not consider hierarchical fine-grained category structures of objects t…
UMIX: Improving Importance Weighting for Subpopulation Shift via Uncertainty-Aware Mixup
Zongbo Han, Zhipeng Liang, Fan Yang +7
Subpopulation shift widely exists in many real-world machine learning applications, referring to the training and test distributions containing the same subpopulation groups but va…
Can Pre-trained Models Really Learn Better Molecular Representations for AI-aided Drug Discovery?
Ziqiao Zhang, Yatao Bian, Ailin Xie +3
Self-supervised pre-training is gaining increasingly more popularity in AI-aided drug discovery, leading to more and more pre-trained models with the promise that they can extract…
Diversity Boosted Learning for Domain Generalization with Large Number of Domains
Xi Leng, Xiaoying Tang, Yatao Bian
Machine learning algorithms minimizing the average training loss usually suffer from poor generalization performance due to the greedy exploitation of correlations among the traini…
Pareto Invariant Risk Minimization: Towards Mitigating the Optimization Dilemma in Out-of-Distribution Generalization
Yongqiang Chen, Kaiwen Zhou, Yatao Bian +8
Recently, there has been a growing surge of interest in enabling machine learning systems to generalize well to Out-of-Distribution (OOD) data. Most efforts are devoted to advancin…
A Survey of Trustworthy Graph Learning: Reliability, Explainability, and Privacy Protection
Bingzhe Wu, Jintang Li, Junchi Yu +17
Deep graph learning has achieved remarkable progresses in both business and scientific areas ranging from finance and e-commerce, to drug and advanced material discovery. Despite t…
DRFLM: Distributionally Robust Federated Learning with Inter-client Noise via Local Mixup
Bingzhe Wu, Zhipeng Liang, Yuxuan Han +3
Recently, federated learning has emerged as a promising approach for training a global model using data from multiple organizations without leaking their raw data. Nevertheless, di…
Fine-Tuning Graph Neural Networks via Graph Topology induced Optimal Transport
Jiying Zhang, Xi Xiao, Long-Kai Huang +2
Recently, the pretrain-finetuning paradigm has attracted tons of attention in graph learning community due to its power of alleviating the lack of labels problem in many real-world…
Hypergraph Convolutional Networks via Equivalency between Hypergraphs and Undirected Graphs
Jiying Zhang, Fuyang Li, Xi Xiao +4
As a powerful tool for modeling complex relationships, hypergraphs are gaining popularity from the graph learning community. However, commonly used frameworks in deep hypergraph le…
Learning Neural Set Functions Under the Optimal Subset Oracle
Zijing Ou, Tingyang Xu, Qinliang Su +3
Learning neural set functions becomes increasingly more important in many applications like product recommendation and compound selection in AI-aided drug discovery. The majority o…
Transformer for Graphs: An Overview from Architecture Perspective
Erxue Min, Runfa Chen, Yatao Bian +7
Recently, Transformer model, which has achieved great success in many artificial intelligence fields, has demonstrated its great potential in modeling graph-structured data. Till n…
Recent Advances in Reliable Deep Graph Learning: Inherent Noise, Distribution Shift, and Adversarial Attack
Jintang Li, Bingzhe Wu, Chengbin Hou +5
Deep graph learning (DGL) has achieved remarkable progress in both business and scientific areas ranging from finance and e-commerce to drug and advanced material discovery. Despit…
Learning Causally Invariant Representations for Out-of-Distribution Generalization on Graphs
Yongqiang Chen, Yonggang Zhang, Yatao Bian +6
Despite recent success in using the invariance principle for out-of-distribution (OOD) generalization on Euclidean data (e.g., images), studies on graph data are still limited. Dif…
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…
Neighbour Interaction based Click-Through Rate Prediction via Graph-masked Transformer
Erxue Min, Yu Rong, Tingyang Xu +6
Click-Through Rate (CTR) prediction, which aims to estimate the probability that a user will click an item, is an essential component of online advertising. Existing methods mainly…