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

Knowledge graphs and structural causal models have each proven valuable for organizing biomedical knowledge and estimating causal effects, but remain largely disconnected: knowledge graphs encode qualitative relationships focusing on facts…

Knowledge graph embedding (KGE) focuses on representing the entities and relations of a knowledge graph (KG) into the continuous vector spaces, which can be employed to predict the missing triples to achieve knowledge graph completion…

Illuminating the interconnections between drugs and genes is an important topic in drug development and precision medicine. Currently, computational predictions of drug-gene interactions mainly focus on the binding interactions without…

Knowledge graphs (KGs), i.e. representation of information as a semantic graph, provide a significant test bed for many tasks including question answering, recommendation, and link prediction. Various amount of scholarly metadata have been…

The development of deep neural networks has improved representation learning in various domains, including textual, graph structural, and relational triple representations. This development opened the door to new relation extraction beyond…

Knowledge Graph Completion (KGC) aims to predict the missing [relation] part of (head entity)--[relation]->(tail entity) triplet. Most existing KGC methods focus on single features (e.g., relation types) or sub-graph aggregation. However,…

Few-shot molecular property prediction (FSMPP) is essential in drug discovery and materials design, where high-quality labeled data are often scarce and expensive to obtain. Despite the promising performance of existing methods, especially…

Inductive knowledge graph completion (KGC) aims to predict missing triples with unseen entities. Recent works focus on modeling reasoning paths between the head and tail entity as direct supporting evidence. However, these methods depend…

Knowledge graphs (KGs) are powerful tools that codify relational behaviour between entities in knowledge bases. KGs can simultaneously model many different types of subject-predicate-object and higher-order relations. As such, they offer a…

Learning-based methods have become increasingly popular for solving vehicle routing problems due to their near-optimal performance and fast inference speed. Among them, the combination of deep reinforcement learning and graph representation…

Knowledge graph completion (KGC) aims to solve the incompleteness of knowledge graphs (KGs) by predicting missing links from known triples, numbers of knowledge graph embedding (KGE) models have been proposed to perform KGC by learning…

Interference between pharmacological substances can cause serious medical injuries. Correctly predicting so-called drug-drug interactions (DDI) does not only reduce these cases but can also result in a reduction of drug development cost.…

Machine-Generated Text (MGT) detection, a task that discriminates MGT from Human-Written Text (HWT), plays a crucial role in preventing misuse of text generative models, which excel in mimicking human writing style recently. Latest proposed…

Accurate prediction of drug-drug interactions (DDI) is crucial for medication safety and effective drug development. However, existing methods often struggle to capture structural information across different scales, from local functional…

Accurate prediction of protein-ligand interactions is essential for computer-aided drug discovery. However, existing methods often fail to capture solvent-dependent conformational changes and lack the ability to jointly learn multiple…

Knowledge Graph (KG) completion is an important task that greatly benefits knowledge discovery in many fields (e.g. biomedical research). In recent years, learning KG embeddings to perform this task has received considerable attention.…

Motivation: Biomedical knowledge graphs (KGs) are crucial for drug discovery and disease understanding, yet their completion and reasoning are challenging. Knowledge Embedding (KE) methods capture global semantics but struggle with dynamic…

Multimodal knowledge graph completion (MMKGC) aims to predict missing links in multimodal knowledge graphs (MMKGs) by leveraging information from various modalities alongside structural data. Existing MMKGC approaches primarily extend…

Accurately predicting drug-target binding affinity (DTA) in silico is a key task in drug discovery. Most of the conventional DTA prediction methods are simulation-based, which rely heavily on domain knowledge or the assumption of having the…

Several recent efforts have been devoted to enhancing pre-trained language models (PLMs) by utilizing extra heterogeneous knowledge in knowledge graphs (KGs) and achieved consistent improvements on various knowledge-driven NLP tasks.…