相关论文: MuCoS: Efficient Drug Target Discovery via Multi C…

Accurate healthcare prediction is essential for improving patient outcomes. Existing work primarily leverages advanced frameworks like attention or graph networks to capture the intricate collaborative (CO) signals in electronic health…

Structure-Based Drug Design (SBDD) is a powerful strategy in computational drug discovery, utilizing three-dimensional protein structures to guide the design of molecules with improved binding affinity. However, capturing complex…

Knowledge Graph (KG) is a flexible structure that is able to describe the complex relationship between data entities. Currently, most KG embedding models are trained based on negative sampling, i.e., the model aims to maximize some…

In the task of Knowledge Graph Completion (KGC), the existing datasets and their inherent subtasks carry a wealth of shared knowledge that can be utilized to enhance the representation of knowledge triplets and overall performance. However,…

The problem of knowledge graph (KG) reasoning has been widely explored by traditional rule-based systems and more recently by knowledge graph embedding methods. While logical rules can capture deterministic behavior in a KG they are brittle…

Medicinal synergy prediction is a powerful tool in drug discovery and development that harnesses the principles of combination therapy to enhance therapeutic outcomes by improving efficacy, reducing toxicity, and preventing drug resistance.…

Knowledge Graph Completion (KGC) aims to predict the missing information in the (head entity)-[relation]-(tail entity) triplet. Deep Neural Networks have achieved significant progress in the relation prediction task. However, most existing…

Knowledge graphs (KGs) are widely used to facilitate relation extraction (RE) tasks. While most previous RE methods focus on leveraging deterministic KGs, uncertain KGs, which assign a confidence score for each relation instance, can…

Knowledge graphs are powerful tools for representing and organising complex biomedical data. Several knowledge graph embedding algorithms have been proposed to learn from and complete knowledge graphs. However, a recent study demonstrates…

Discovery gene-disease links is important in biology and medicine areas, enabling disease identification and drug repurposing. Machine learning approaches accelerate this process by leveraging biological knowledge represented in ontologies…

Knowledge Graphs (KGs) and their machine learning counterpart, Knowledge Graph Embedding Models (KGEMs), have seen ever-increasing use in a wide variety of academic and applied settings. In particular, KGEMs are typically applied to KGs to…

Commonsense question answering is a crucial task that requires machines to employ reasoning according to commonsense. Previous studies predominantly employ an extracting-and-modeling paradigm to harness the information in KG, which first…

Negative sampling (NS) is widely used in knowledge graph embedding (KGE), which aims to generate negative triples to make a positive-negative contrast during training. However, existing NS methods are unsuitable when multi-modal information…

Drug discovery requires a tremendous amount of time and cost. Computational drug-target interaction prediction, a significant part of this process, can reduce these requirements by narrowing the search space for wet lab experiments. In this…

Predicting drug-gene associations is crucial for drug development and disease treatment. While graph neural networks (GNN) have shown effectiveness in this task, they face challenges with data sparsity and efficient contrastive learning…

Knowledge graph completion (KGC) aims to predict missing triples in knowledge graphs (KGs) by leveraging existing triples and textual information. Recently, generative large language models (LLMs) have been increasingly employed for graph…

Knowledge graph (KG) embedding has been used to benefit the diagnosis of animal diseases by analyzing electronic medical records (EMRs), such as notes and veterinary records. However, learning representations to capture entities and…

Understanding how small molecules perturb gene expression is essential for uncovering drug mechanisms, predicting off-target effects, and identifying repurposing opportunities. While prior deep learning frameworks have integrated multimodal…

Minimizing adverse reactions caused by drug-drug interactions has always been a momentous research topic in clinical pharmacology. Detecting all possible interactions through clinical studies before a drug is released to the market is a…

Continual Knowledge Graph Embedding (CKGE) aims to continually learn embeddings for new knowledge, i.e., entities and relations, while retaining previously acquired knowledge. Most existing CKGE methods mitigate catastrophic forgetting via…