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Synergistic drug combinations provide huge potentials to enhance therapeutic efficacy and to reduce adverse reactions. However, effective and synergistic drug combination prediction remains an open question because of the unknown causal…
Post--marketing pharmacovigilance is essential for identifying adverse drug reactions (ADRs) that elude detection during pre--marketing clinical trials. This study explores a novel approach that integrates an adverse event (AE) ontology…
Graph representation learning has made major strides over the past decade. However, in many relational domains, the input data are not suited for simple graph representations as the relationships between entities go beyond pairwise…
Drug-drug interaction (DDI) prediction is central to drug discovery and clinical development, particularly in the context of increasingly prevalent polypharmacy. Although existing computational methods achieve strong performance on standard…
With the widespread application of electroencephalography (EEG) in neuroscience and clinical practice, efficiently retrieving and semantically interpreting large-scale, multi-source, heterogeneous EEG data has become a pressing challenge.…
Accurately predicting drug-drug interactions (DDI) for emerging drugs, which offer possibilities for treating and alleviating diseases, with computational methods can improve patient care and contribute to efficient drug development.…
Attention-Deficit/Hyperactivity Disorder (ADHD) is a challenging disorder to study due to its complex symptomatology and diverse contributing factors. To explore how we can gain deeper insights on this topic, we performed a network analysis…
Long-term memory is essential for conversational agents to maintain coherence, track persistent tasks, and provide personalized interactions across extended dialogues. However, existing approaches as Retrieval-Augmented Generation (RAG) and…
Graph Neural Networks (GNNs) have gained traction in the complex domain of drug discovery because of their ability to process graph-structured data such as drug molecule models. This approach has resulted in a myriad of methods and models…
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…
Hypergraphs are characterized by complex topological structure, representing higher-order interactions among multiple entities through hyperedges. Lately, hypergraph-based deep learning methods to learn informative data representations for…
Hypergraphs, capable of representing high-order interactions via hyperedges, have become a powerful tool for modeling real-world biological and social systems. Inherent relationships within these real-world systems, such as the encoding…
Drug repositioning (DR) refers to identification of novel indications for the approved drugs. The requirement of huge investment of time as well as money and risk of failure in clinical trials have led to surge in interest in drug…
CDR (Cross-Domain Recommendation), i.e., leveraging information from multiple domains, is a critical solution to data sparsity problem in recommendation system. The majority of previous research either focused on single-target CDR (STCDR)…
Scientific inquiry requires systems-level reasoning that integrates heterogeneous experimental data, cross-domain knowledge, and mechanistic evidence into coherent explanations. While Large Language Models (LLMs) offer inferential…
Hypergraphs play a pivotal role in the modelling of data featuring higher-order relations involving more than two entities. Hypergraph neural networks emerge as a powerful tool for processing hypergraph-structured data, delivering…
Subgraph-based methods have proven to be effective and interpretable in predicting drug-drug interactions (DDIs), which are essential for medical practice and drug development. Subgraph selection and encoding are critical stages in these…
Retrieval-augmented generation (RAG) is a powerful paradigm for improving large language models (LLMs) on knowledge-intensive question answering. Graph-based RAG (GraphRAG) leverages entity-relation graphs to support multi-hop reasoning,…
Accurate healthcare prediction is critical for improving patient outcomes and reducing operational costs. Bolstered by growing reasoning capabilities, large language models (LLMs) offer a promising path to enhance healthcare predictions by…
Graph neural networks (GNNs), as topology/structure-aware models within deep learning, have emerged as powerful tools for AI-aided drug discovery (AIDD). By directly operating on molecular graphs, GNNs offer an intuitive and expressive…