354 citations · 2.1k across the 86 of their papers we have counts for
59 papers · 1 filter
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…
DFWLayer: Differentiable Frank-Wolfe Optimization Layer
Zixuan Liu, Liu Liu, Xueqian Wang +1
Differentiable optimization has received a significant amount of attention due to its foundational role in the domain of machine learning based on neural networks. This paper propo…
GADBench: Revisiting and Benchmarking Supervised Graph Anomaly Detection
Jianheng Tang, Fengrui Hua, Ziqi Gao +2
With a long history of traditional Graph Anomaly Detection (GAD) algorithms and recently popular Graph Neural Networks (GNNs), it is still not clear (1) how they perform under a st…
Reweighted Mixup for Subpopulation Shift
Zongbo Han, Zhipeng Liang, Fan Yang +8
Subpopulation shift exists widely in many real-world applications, which refers to the training and test distributions that contain the same subpopulation groups but with different…
Deploying Offline Reinforcement Learning with Human Feedback
Ziniu Li, Ke Xu, Liu Liu +3
Reinforcement learning (RL) has shown promise for decision-making tasks in real-world applications. One practical framework involves training parameterized policy models from an of…
Towards Stable Test-Time Adaptation in Dynamic Wild World
Shuaicheng Niu, Jiaxiang Wu, Yifan Zhang +4
Test-time adaptation (TTA) has shown to be effective at tackling distribution shifts between training and testing data by adapting a given model on test samples. However, the onlin…
Handling Missing Data via Max-Entropy Regularized Graph Autoencoder
Ziqi Gao, Yifan Niu, Jiashun Cheng +6
Graph neural networks (GNNs) are popular weapons for modeling relational data. Existing GNNs are not specified for attribute-incomplete graphs, making missing attribute imputation…
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…
Robust Offline Reinforcement Learning with Gradient Penalty and Constraint Relaxation
Chengqian Gao, Ke Xu, Liu Liu +3
A promising paradigm for offline reinforcement learning (RL) is to constrain the learned policy to stay close to the dataset behaviors, known as policy constraint offline RL. Howev…
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…
Pareto-aware Neural Architecture Generation for Diverse Computational Budgets
Yong Guo, Yaofo Chen, Yin Zheng +5
Designing feasible and effective architectures under diverse computational budgets, incurred by different applications/devices, is essential for deploying deep models in real-world…
MARS: A Motif-based Autoregressive Model for Retrosynthesis Prediction
Jiahan Liu, Chaochao Yan, Yang Yu +4
Retrosynthesis is a major task for drug discovery. It is formulated as a graph-generating problem by many existing approaches. Specifically, these methods firstly identify the reac…
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…
Quantized Adaptive Subgradient Algorithms and Their Applications
Ke Xu, Jianqiao Wangni, Yifan Zhang +3
Data explosion and an increase in model size drive the remarkable advances in large-scale machine learning, but also make model training time-consuming and model storage difficult.…
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…
Efficient Test-Time Model Adaptation without Forgetting
Shuaicheng Niu, Jiaxiang Wu, Yifan Zhang +4
Test-time adaptation (TTA) seeks to tackle potential distribution shifts between training and testing data by adapting a given model w.r.t. any testing sample. This task is particu…
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…
GPN: A Joint Structural Learning Framework for Graph Neural Networks
Qianggang Ding, Deheng Ye, Tingyang Xu +1
Graph neural networks (GNNs) have been applied into a variety of graph tasks. Most existing work of GNNs is based on the assumption that the given graph data is optimal, while it i…
ImGCL: Revisiting Graph Contrastive Learning on Imbalanced Node Classification
Liang Zeng, Lanqing Li, Ziqi Gao +2
Graph contrastive learning (GCL) has attracted a surge of attention due to its superior performance for learning node/graph representations without labels. However, in practice, th…
Multi-scale Attention Flow for Probabilistic Time Series Forecasting
Shibo Feng, Chunyan Miao, Ke Xu +4
The probability prediction of multivariate time series is a notoriously challenging but practical task. On the one hand, the challenge is how to effectively capture the cross-serie…
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…
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…
FedHM: Efficient Federated Learning for Heterogeneous Models via Low-rank Factorization
Dezhong Yao, Wanning Pan, Michael J O'Neill +4
One underlying assumption of recent federated learning (FL) paradigms is that all local models usually share the same network architecture and size, which becomes impractical for d…