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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…

Quantitative Methods · Quantitative Biology 2023-08-24 Zehao Dong , Heming Zhang , Yixin Chen , Philip R. O. Payne , Fuhai Li

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…

Machine Learning · Computer Science 2021-01-20 Balasubramaniam Srinivasan , Da Zheng , George Karypis

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…

Machine Learning · Computer Science 2026-01-23 Dong Xu , Jiantao Wu , Qihua Pan , Sisi Yuan , Zexuan Zhu , Junkai Ji

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.…

Computation and Language · Computer Science 2025-10-14 Yi Wang , Haoran Luo , Lu Meng , Ziyu Jia , Xinliang Zhou , Qingsong Wen

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.…

Quantitative Methods · Quantitative Biology 2023-11-17 Yongqi Zhang , Quanming Yao , Ling Yue , Xian Wu , Ziheng Zhang , Zhenxi Lin , Yefeng Zheng

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…

Social and Information Networks · Computer Science 2025-04-16 Hakan T. Otal , Stephen V. Faraone , M. Abdullah Canbaz

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…

Computation and Language · Computer Science 2026-04-13 Juwei Yue , Chuanrui Hu , Jiawei Sheng , Zuyi Zhou , Wenyuan Zhang , Tingwen Liu , Li Guo , Yafeng Deng

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…

Machine Learning · Computer Science 2025-09-10 Katherine Berry , Liang Cheng

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…

Machine Learning · Computer Science 2022-05-13 Jiahua Rao , Shuangjia Zheng , Sijie Mai , Yuedong Yang

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…

Machine Learning · Computer Science 2024-09-30 Adrián Bazaga , Pietro Liò , Gos Micklem

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…

Social and Information Networks · Computer Science 2025-05-09 Li Ni , Ziqi Deng , Lin Mu , Lei Zhang , Wenjian Luo , Yiwen Zhang

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…

Computation and Language · Computer Science 2017-05-23 Sahil Manchanda , Ashish Anand

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)…

Information Retrieval · Computer Science 2024-11-27 Xiaopeng Liu , Juan Zhang , Chongqi Ren , Shenghui Xu , Zhaoming Pan , Zhimin Zhang

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…

Artificial Intelligence · Computer Science 2026-01-09 Isabella A. Stewart , Markus J. Buehler

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…

Machine Learning · Computer Science 2024-06-04 Zexi Liu , Bohan Tang , Ziyuan Ye , Xiaowen Dong , Siheng Chen , Yanfeng Wang

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…

Machine Learning · Computer Science 2024-11-05 Haotong Du , Quanming Yao , Juzheng Zhang , Yang Liu , Zhen Wang

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,…

Artificial Intelligence · Computer Science 2025-10-01 Kai Guo , Xinnan Dai , Shenglai Zeng , Harry Shomer , Haoyu Han , Yu Wang , Jiliang Tang

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…

Artificial Intelligence · Computer Science 2025-11-18 Chuang Zhao , Hui Tang , Hongke Zhao , Xiaofang Zhou , Xiaomeng Li

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…

Biomolecules · Quantitative Biology 2025-06-10 Odin Zhang , Haitao Lin , Xujun Zhang , Xiaorui Wang , Zhenxing Wu , Qing Ye , Weibo Zhao , Jike Wang , Kejun Ying , Yu Kang , Chang-yu Hsieh , Tingjun Hou