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20242026
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cs.LG2026

Learning Propagation Geometry from Message-Passing Feedback

Yingxu Wang, Kunyu Zhang, Xinwang Liu +4

Learning local geometry enables graph neural networks (GNNs) to adapt how they compare and integrate neighborhood information. However, estimating geometry from aggregated represen…

cs.LG2026

Beyond Site Agreement: Re-estimation for Brain Network Generalization

Yingxu Wang, Kunyu Zhang, Yanwu Yang3 +4

Cross-site out-of-distribution (OOD) generalization in resting-state functional magnetic resonance imaging (rs-fMRI) often relies on learning task-discriminative representations fr…

cs.LG2026

scGTN: Deep Siamese Graph Transformer Network for Single-cell RNA Sequencing Clustering

Jinke Wu, Yifan Wang, Siyu Yi +5

Single-cell RNA sequencing (scRNA-seq) serves a pivotal role in characterizing gene expression at the cellular level, enabling the identification of cell types and advancing the un…

cs.LG2026

MOLAR: Learning Multimodal Molecular Representations from Noisy Labels

Yingxu Wang, Kunyu Zhang, Nan Yin +2

Motivation: Noisy labels are a common challenge in molecular property prediction because molecular annotations are often obtained from assays, curated databases, or weak annotation…

cs.LG2026

Safe-Subspace Pseudo-Label Refinement for Source-Free Graph Domain Adaptation

Yingxu Wang, Xinwang Liu, Siyang Gao +1

Source-free graph domain adaptation (SF-GDA) aims to adapt source-trained graph models to unlabeled target graphs when source graphs are no longer accessible. A central obstacle is…

cs.LG2026

Learning beyond Site Bias for OOD Generalization in Brain Networks

Yingxu Wang, Kunyu Zhang, Yanwu Yang +5

Graph-based learning from functional magnetic resonance imaging (fMRI) has shown strong potential for brain network analysis. However, existing methods often degrade under cross-si…

cs.LG2025

ProtoMol: Enhancing Molecular Property Prediction via Prototype-Guided Multimodal Learning

Yingxu Wang, Kunyu Zhang, Jiaxin Huang +3

Multimodal molecular representation learning, which jointly models molecular graphs and their textual descriptions, enhances predictive accuracy and interpretability by enabling mo…

cs.LG2024

DuSEGO: Dual Second-order Equivariant Graph Ordinary Differential Equation

Yingxu Wang, Nan Yin, Mingyan Xiao +3

Graph Neural Networks (GNNs) with equivariant properties have achieved significant success in modeling complex dynamic systems and molecular properties. However, their expressivene…