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Understanding dynamic systems like disease outbreaks, social influence, and information diffusion requires effective modeling of complex networks. Traditional evaluation methods for static networks often fall short when applied to temporal…

Molecular docking is a major element in drug discovery and design. It enables the prediction of ligand-protein interactions by simulating the binding of small molecules to proteins. Despite the availability of numerous docking algorithms,…

Learning graph convolutional networks (GCNs) is an emerging field which aims at generalizing deep learning to arbitrary non-regular domains. Most of the existing GCNs follow a neighborhood aggregation scheme, where the representation of a…

The distance-geometric graph representation adopts a unified scheme (distance) for representing the geometry of three-dimensional(3D) graphs. It is invariant to rotation and translation of the graph and it reflects pair-wise node…

Graph Convolutional Networks (GCNs) have attracted increasing interests for the task of skeleton-based action recognition. The key lies in the design of the graph structure, which encodes skeleton topology information. In this paper, we…

We introduce the Geometric Evolution Graph Convolutional Network (GEGCN), a novel framework that enhances graph representation learning through explicit modeling of geometric evolution on graph structures. Specifically, GEGCN leverages a…

Protein complexes are macromolecules essential to the functioning and well-being of all living organisms. As the structure of a protein complex, in particular its region of interaction between multiple protein subunits (i.e., chains), has a…

In no-reference 360-degree image quality assessment (NR 360IQA), graph convolutional networks (GCNs), which model interactions between viewports through graphs, have achieved impressive performance. However, prevailing GCN-based NR 360IQA…

Protein-protein interactions (PPIs) play a crucial role in numerous biological processes. Developing methods that predict binding affinity changes under substitution mutations is fundamental for modelling and re-engineering biological…

Recent advances in Graph Convolutional Networks (GCNs) have led to state-of-the-art performance on various graph-related tasks. However, most existing GCN models do not explicitly identify whether all the aggregated neighbors are valuable…

Evolutionary computation methods have been successfully applied to neural networks since two decades ago, while those methods cannot scale well to the modern deep neural networks due to the complicated architectures and large quantities of…

Directed acyclic graphs (DAGs) are central to science and engineering applications including causal inference, scheduling, and neural architecture search. In this work, we introduce the DAG Convolutional Network (DCN), a novel graph neural…

RGB-D based 6D pose estimation has recently achieved remarkable progress, but still suffers from two major limitations: (1) ineffective representation of depth data and (2) insufficient integration of different modalities. This paper…

Predicting the docking between proteins and ligands is a crucial and challenging task for drug discovery. However, traditional docking methods mainly rely on scoring functions, and deep learning-based docking approaches usually neglect the…

Generating novel graph structures that optimize given objectives while obeying some given underlying rules is fundamental for chemistry, biology and social science research. This is especially important in the task of molecular graph…

Protein-protein interactions (PPIs) play key roles in a broad range of biological processes. Numerous strategies have been proposed for predicting PPIs, and among them, graph-based methods have demonstrated promising outcomes owing to the…

Graph neural networks (GNNs) have emerged as powerful tools for learning protein structures by capturing spatial relationships at the residue level. However, existing GNN-based methods often face challenges in learning multiscale…

Convolutional Neural Networks (CNNs) achieve impressive performance in a wide variety of fields. Their success benefited from a massive boost when very deep CNN models were able to be reliably trained. Despite their merits, CNNs fail to…

Graph neural networks (GNNs) have significantly improved the representation power for graph-structured data. Despite of the recent success of GNNs, the graph convolution in most GNNs have two limitations. Since the graph convolution is…

Graph Convolutional Network (GCN) has experienced great success in graph analysis tasks. It works by smoothing the node features across the graph. The current GCN models overwhelmingly assume that the node feature information is complete.…