activity
20242026
most citedTopoQA: a topological deep learning-based approach for protein complex structure interface quality assessment

1 citations · 3 across the 10 of their papers we have counts for

collaborators

10 papers

physics.optics2026

Recovering topological information of light by topological learning

Benquan Wang, Trishita Das, Yuhan Peng +8

The evolution of modern-day communication networks towards enhanced capacity and robustness is driving interest in topological light wave as a next-generation information carrier.…

cs.LG2026

Demystifying Oversmoothing in Sheaf Neural Networks: An Index-Theoretic Criterion

Junwen Dong, Yuhan Peng, Hao Li +2

To combat oversmoothing in Graph Convolutional Networks, Sheaf Neural Networks (SNNs) were proposed as a generalization by equipping the graph with a sheaf structure and replacing…

cs.LG2026

Communicability-Inspired Positional Encoding (CIPE)

Yipeng Zhang, Zhongtian Sun, Pietro Liò +1

Positional encodings (PEs) are essential for Transformers. Yet designing effective PEs for non-Euclidean graphs remains challenging. Such encodings should ideally induce an Attenti…

cs.LG2026

Sheaf Neural Networks on SPD Manifolds: Second-Order Geometric Representation Learning

Yuhan Peng, Junwen Dong, Yuzhi Zeng +6

Graph neural networks face two fundamental challenges rooted in the linear structure of Euclidean vector spaces: (1) Current architectures represent geometry through vectors (direc…

cs.LG2026

Full-Spectrum Graph Neural Networks: Expressive and Scalable

Xiaohan Wang, Deyu Bo, Longlong Li +1

It is well established that spectral graph neural networks (GNNs) can universally approximate node signals; however, their expressive power remains bounded by the 1-dimensional Wei…

cs.LG2025

Rhomboid Tiling for Geometric Graph Deep Learning

Yipeng Zhang, Longlong Li, Kelin Xia

Graph Neural Networks (GNNs) have proven effective for learning from graph-structured data through their neighborhood-based message passing framework. Many hierarchical graph clust…

cs.CG2025

Commutative algebra-enhanced topological data analysis

Chuanshen Hu, Yu Wang, Kelin Xia +2

Topological Data Analysis (TDA) combines computational topology and data science to extract and analyze intrinsic topological and geometric structures in data set in a metric space…

q-bio.BM2024★ 1 cited

TopoQA: a topological deep learning-based approach for protein complex structure interface quality assessment

Bingqing Han, Yipeng Zhang, Longlong Li +2

Even with the significant advances of AlphaFold-Multimer (AF-Multimer) and AlphaFold3 (AF3) in protein complex structure prediction, their accuracy is still not comparable with mon…

cond-mat.mtrl-sci2024★ 1 cited

Molecular topological deep learning for polymer property prediction

Cong Shen, Yipeng Zhang, Fei Han +1

Accurate and efficient prediction of polymer properties is of key importance for polymer design. Traditional experimental tools and density function theory (DFT)-based simulations…

cs.LG2024★ 1 cited

KA-GNN: Kolmogorov-Arnold Graph Neural Networks for Molecular Property Prediction

Longlong Li, Yipeng Zhang, Guanghui Wang +1

As key models in geometric deep learning, graph neural networks have demonstrated enormous power in molecular data analysis. Recently, a specially-designed learning scheme, known a…