相关论文: DecoyDB: A Dataset for Graph Contrastive Learning …

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, the underlying class distribution of unlabeled nodes for the…

Structure based ligand discovery is one of the most successful approaches for augmenting the drug discovery process. Currently, there is a notable shift towards machine learning (ML) methodologies to aid such procedures. Deep learning has…

Graph contrastive learning (GCL) has emerged as a representative paradigm in graph self-supervised learning, where negative samples are commonly regarded as the key to preventing model collapse and producing distinguishable representations.…

With the rapid emergence of multi-behavior learning in recommender systems, leveraging auxiliary user behaviors has proven effective for mitigating target-behavior data sparsity. Yet auxiliary behavior graphs frequently contain noisy or…

Prevailing deep graph learning models often suffer from label sparsity issue. Although many graph few-shot learning (GFL) methods have been developed to avoid performance degradation in face of limited annotated data, they excessively rely…

Multi-label image recognition is a task that predicts a set of object labels in an image. As the objects co-occur in the physical world, it is desirable to model label dependencies. Previous existing methods resort to either recurrent…

Contrastive learning methods have attracted considerable attention due to their remarkable success in analyzing graph-structured data. Inspired by the success of contrastive learning, we propose a novel framework for contrastive…

While contrastive self-supervised learning has become the de-facto learning paradigm for graph neural networks, the pursuit of higher task accuracy requires a larger hidden dimensionality to learn informative and discriminative…

The superiority of graph contrastive learning (GCL) has prompted its application to anomaly detection tasks for more powerful risk warning systems. Unfortunately, existing GCL-based models tend to excessively prioritize overall detection…

Recently, graph contrastive learning (GCL) has emerged as one of the optimal solutions for node-level and supervised tasks. However, for structure-related and unsupervised tasks such as graph clustering, current GCL algorithms face…

Predicting accurate protein-ligand binding affinity is important in drug discovery but remains a challenge even with computationally expensive biophysics-based energy scoring methods and state-of-the-art deep learning approaches. Despite…

Recent years have seen a rapid growth of utilizing graph neural networks (GNNs) in the biomedical domain for tackling drug-related problems. However, like any other deep architectures, GNNs are data hungry. While requiring labels in real…

Although algebraic graph theory based models have been widely applied in physical modeling and molecular studies, they are typically incompetent in the analysis and prediction of biomolecular properties when compared with other quantitative…

Graph contrastive learning (GCL) has garnered significant attention recently since it learns complex structural information from graphs through self-supervised learning manner. However, prevalent GCL models may suffer from performance…

Graph Contrastive Learning (GCL) has emerged as a powerful tool for extracting consistent representations from graphs, independent of labeled information. However, existing methods predominantly focus on undirected graphs, disregarding the…

Recent years, graph contrastive learning (GCL), which aims to learn representations from unlabeled graphs, has made great progress. However, the existing GCL methods mostly adopt human-designed graph augmentations, which are sensitive to…

We propose $\textbf{MGCL}$, a model-driven graph contrastive learning (GCL) framework that leverages graphons (probabilistic generative models for graphs) to guide contrastive learning by accounting for the data's underlying generative…

Protein-ligand modeling underpins computational drug discovery and molecular design. Existing protein-ligand benchmarks typically evaluate whether a protein and ligand interact and how strongly they bind, through tasks such as binary…

Graph contrastive learning (GCL) aims to align the positive features while differentiating the negative features in the latent space by minimizing a pair-wise contrastive loss. As the embodiment of an outstanding discriminative unsupervised…

Traditional Graph Neural Network (GNN), as a graph representation learning method, is constrained by label information. However, Graph Contrastive Learning (GCL) methods, which tackle the label problem effectively, mainly focus on the…