output
20202025
most citedPre-training of Equivariant Graph Matching Networks with Conformation Flexibility for Drug Binding

42 citations

8 papers

cs.LG2025

Brain Network Classification Based on Graph Contrastive Learning and Graph Transformer

ZhiTeng Zhu, Lan Yao

The dynamic characterization of functional brain networks is of great significance for elucidating the mechanisms of human brain function. Although graph neural networks have achie…

math.GN2024

Representations of domains via closure spaces in the quantale-valued setting

Guojun Wu, Wei Yao, Qingguo Li

With a commutative unital quantale as the truth value table, this study focuses on the representations of -domains by means of -closure spaces. First, the notions of inte…

math.GN2024

Topological representations for frame-valued domains via -sobriety

Guojun Wu, Wei Yao, Qingguo Li

With a frame as the truth value table, we study the topological representations for frame-valued domains. We introduce the notions of locally super-compact -topological spac…

cs.AI2023★ 27 cited

Learning to Denoise Biomedical Knowledge Graph for Robust Molecular Interaction Prediction

Tengfei Ma, Yujie Chen, Wen Tao +9

Molecular interaction prediction plays a crucial role in forecasting unknown interactions between molecules, such as drug-target interaction (DTI) and drug-drug interaction (DDI),…

math.RT2023★ 1 cited

Representations of Coxeter groups of Lusztig's a-function value 1

Hongsheng Hu

In this paper, we give a characterization of Coxeter group representations of Lusztig's a-function value 1, then determine all the irreducible such representations for certain simp…

hep-ph2022★ 1 cited

Production of the triply heavy and baryons at colliders

Su-Zhi Wu, Pei Wu, You-Wei Li

Non-relativistic quantum chromodynamics (NRQCD) factorization formulism is an important approach to investigate the production of the heavy quarkonium. In this paper, we study the…

cs.CE2022★ 42 cited

Pre-training of Equivariant Graph Matching Networks with Conformation Flexibility for Drug Binding

Fang Wu, Shuting Jin, Yinghui Jiang +7

The latest biological findings observe that the traditional motionless 'lock-and-key' theory is not generally applicable because the receptor and ligand are constantly moving. None…

quant-ph2020★ 2 cited

Entanglement of Two Distinguishable Atoms in a Rectangular Waveguide: Linear Approximation with Single Excitation

Jing Li, Lijuan Hu, Jing Lu +1

We consider two two-level systems (TLSs) coupled to the vacuum of guided modes confined in a rectangular waveguide. Two TLSs are fixed at different points in the waveguide and init…