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Drug-target interaction (DTI) prediction is a core task in drug development and precision medicine in the biomedical field. However, traditional machine learning methods generally have the black box problem, which makes it difficult to…

Quantitative Methods · Quantitative Biology 2025-04-30 Wenfeng Dai , Yanhong Wang , Shuai Yan , Qingzhi Yu , Xiang Cheng

Laboratory workflows in pharmaceutical and biomedical research encode substantial tacit knowledge -- expert judgment about failure conditions, decision branching logic, and contextual dependencies -- that remains inaccessible to protocol…

Machine learning workflow development is a process of trial-and-error: developers iterate on workflows by testing out small modifications until the desired accuracy is achieved. Unfortunately, existing machine learning systems focus…

Databases · Computer Science 2018-12-17 Doris Xin , Stephen Macke , Litian Ma , Jialin Liu , Shuchen Song , Aditya Parameswaran

Drug-drug interactions (DDIs) remain a major source of preventable harm, and many clinically important mechanisms are still unknown. Existing models either rely on pharmacologic knowledge graphs (KGs), which fail on unseen drugs, or on…

Machine Learning · Computer Science 2025-11-11 Franklin Lee , Tengfei Ma

Irregular data in real-world are usually organized as heterogeneous graphs (HGs) consisting of multiple types of nodes and edges. To explore useful knowledge from real-world data, both the large-scale encyclopedic HG datasets and…

Artificial Intelligence · Computer Science 2023-09-12 Yide Qiu , Shaoxiang Ling , Tong Zhang , Bo Huang , Zhen Cui

Medical text learning has recently emerged as a promising area to improve healthcare due to the wide adoption of electronic health record (EHR) systems. The complexity of the medical text such as diverse length, mixed text types, and full…

Computation and Language · Computer Science 2022-10-11 Yong He , Cheng Wang , Shun Zhang , Nan Li , Zhaorong Li , Zhenyu Zeng

Large knowledge bases typically contain data adhering to various schemas with incomplete and/or noisy type information. This seriously complicates further integration and post-processing efforts, as type information is crucial in correctly…

Applications · Statistics 2019-02-19 Artem Lutov , Soheil Roshankish , Mourad Khayati , Philippe Cudré-Mauroux

It is a common practice in modern medicine to prescribe multiple medications simultaneously to treat diseases. However, these medications could have adverse reactions between them, known as Drug-Drug Interactions (DDI), which have the…

Machine Learning · Computer Science 2024-12-10 Azwad Tamir , Jiann-Shiun Yuan

Drug-target relationships may now be predicted computationally using bioinformatics data, which is a valuable tool for understanding pharmacological effects, enhancing drug development efficiency, and advancing related research. A number of…

Machine Learning · Computer Science 2024-07-16 Yuhuan Zhou , Yulin Wu , Weiwei Yuan , Xuan Wang , Junyi Li

The rapid advancement of large language models (LLMs) in biological-medical applications has highlighted a gap between their potential and the limited scale and often low quality of available open-source annotated textual datasets. In…

Computation and Language · Computer Science 2025-12-19 Xunxin Cai , Chengrui Wang , Qingqing Long , Yuanchun Zhou , Meng Xiao

Large language models have exhibited exceptional performance on various Natural Language Processing (NLP) tasks, leveraging techniques such as the pre-training, and instruction fine-tuning. Despite these advances, their effectiveness in…

Computation and Language · Computer Science 2023-06-19 Guangyu Wang , Guoxing Yang , Zongxin Du , Longjun Fan , Xiaohu Li

The increase in high-dimensional multiomics data demands advanced integration models to capture the complexity of human diseases. Graph-based deep learning integration models, despite their promise, struggle with small patient cohorts and…

Machine Learning · Computer Science 2024-08-07 Sina Tabakhi , Charlotte Vandermeulen , Ian Sudbery , Haiping Lu

Currently, there is a rapidly increasing need for high-quality biomedical knowledge graphs (BioKG) that provide direct and precise biomedical knowledge. In the context of COVID-19, this issue is even more necessary to be highlighted.…

Artificial Intelligence · Computer Science 2020-12-03 Sendong Zhao , Bing Qin , Ting Liu , Fei Wang

The rapid expansion of electronic health record (EHR) systems has generated large volumes of unstructured clinical narratives that contain valuable information for disease identification, patient cohort discovery, and clinical decision…

Computation and Language · Computer Science 2026-03-17 Fariba Afrin Irany , Sampson Akwafuo

Real-world Knowledge Graphs (KGs) often suffer from incompleteness, which limits their potential performance. Knowledge Graph Completion (KGC) techniques aim to address this issue. However, traditional KGC methods are computationally…

Computation and Language · Computer Science 2023-11-03 Alla Chepurova , Aydar Bulatov , Yuri Kuratov , Mikhail Burtsev

Participant recruitment based on unstructured medical texts such as clinical notes and radiology reports has been a challenging yet important task for the cohort establishment in clinical research. Recently, Large Language Models (LLMs)…

Computation and Language · Computer Science 2023-07-24 Zihan Guan , Zihao Wu , Zhengliang Liu , Dufan Wu , Hui Ren , Quanzheng Li , Xiang Li , Ninghao Liu

Knowledge Graphs (KGs) store information in the form of (head, predicate, tail)-triples. To augment KGs with new knowledge, researchers proposed models for KG Completion (KGC) tasks such as link prediction; i.e., answering (h; p; ?) or (?;…

Artificial Intelligence · Computer Science 2022-08-24 Haris Widjaja , Kiril Gashteovski , Wiem Ben Rim , Pengfei Liu , Christopher Malon , Daniel Ruffinelli , Carolin Lawrence , Graham Neubig

The rapid expansion of medical literature presents growing challenges for structuring and integrating domain knowledge at scale. Knowledge Graphs (KGs) offer a promising solution by enabling efficient retrieval, automated reasoning, and…

Computation and Language · Computer Science 2025-08-20 Duzhen Zhang , Zixiao Wang , Zhong-Zhi Li , Yahan Yu , Shuncheng Jia , Jiahua Dong , Haotian Xu , Xing Wu , Yingying Zhang , Tielin Zhang , Jie Yang , Xiuying Chen , Le Song

Hierarchical Text Classification (HTC) involves assigning documents to labels organized within a taxonomy. Most previous research on HTC has focused on supervised methods. However, in real-world scenarios, employing supervised HTC can be…

Computation and Language · Computer Science 2026-05-18 Qianbo Zang , Christophe Zgrzendek , Igor Tchappi , Afshin Khadangi , Johannes Sedlmeir

Biomedical information graphs are crucial for interaction discovering of biomedical information in modern age, such as identification of multifarious molecular interactions and drug discovery, which attracts increasing interests in…

Machine Learning · Computer Science 2024-02-20 Zecheng Yin