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Clinical diagnosis, which aims to assign diagnosis codes for a patient based on the clinical note, plays an essential role in clinical decision-making. Considering that manual diagnosis could be error-prone and time-consuming, many…

Computation and Language · Computer Science 2021-01-28 Yichao Du , Pengfei Luo , Xudong Hong , Tong Xu , Zhe Zhang , Chao Ren , Yi Zheng , Enhong Chen

The study of molecule-target interaction is quite important for drug discovery in terms of target identification, hit identification, pathway study, drug-drug interaction, etc. Most existing methodologies utilize either biomedical network…

Machine Learning · Computer Science 2023-02-07 Jinjiang Guo , Jie Li

Accurate molecular representations are critical for drug discovery, and a central challenge lies in capturing the chemical environment of molecular fragments, as key interactions, such as H-bond and {\pi} stacking, occur only under specific…

Machine Learning · Computer Science 2026-04-28 Yanru Qu , Yijie Zhang , Wenjuan Tan , Xiangzhe Kong , Xiangxin Zhou , Chaoran Cheng , Mathieu Blanchette , Jiaxuan You , Ge Liu

Electronic health records (EHR) contain narrative notes that provide extensive details on the medical condition and management of patients. Natural language processing (NLP) of clinical notes can use observed frequencies of clinical terms…

Computation and Language · Computer Science 2023-07-04 Bryan Cai , Sihang Zeng , Yucong Lin , Zheng Yuan , Doudou Zhou , Lu Tian

Designing a new clinical trial entails many decisions, such as defining a cohort and setting the study objectives to name a few, and therefore can benefit from recommendations based on exhaustive mining of past clinical trial records. Here,…

Artificial Intelligence · Computer Science 2023-09-29 Murthy V. Devarakonda , Smita Mohanty , Raja Rao Sunkishala , Nag Mallampalli , Xiong Liu

Deep learning-based computational methods have achieved promising results in predicting protein-protein interactions (PPIs). However, existing benchmarks predominantly focus on isolated pairwise evaluations, overlooking a model's capability…

Machine Learning · Computer Science 2025-10-23 Xinzhe Zheng , Hao Du , Fanding Xu , Jinzhe Li , Zhiyuan Liu , Wenkang Wang , Tao Chen , Wanli Ouyang , Stan Z. Li , Yan Lu , Nanqing Dong , Yang Zhang

Recent years have witnessed increasing interests in developing interpretable models in Natural Language Processing (NLP). Most existing models aim at identifying input features such as words or phrases important for model predictions.…

Computation and Language · Computer Science 2022-08-10 Hanqi Yan , Lin Gui , Yulan He

Identifying druggable genes is essential for developing effective pharmaceuticals. With the availability of extensive, high-quality data, computational methods have become a significant asset. Protein Interaction Network (PIN) is valuable…

Machine Learning · Computer Science 2025-01-06 George Yuanji Wang , Srisharan Murugesan , Aditya Prince Rohatgi

Early diagnosis of disease can lead to improved health outcomes, including higher survival rates and lower treatment costs. With the massive amount of information available in electronic health records (EHRs), there is great potential to…

Machine Learning · Computer Science 2022-08-02 Asem Alaa , Erik Mayer , Mauricio Barahona

Text classification is a primary task in natural language processing (NLP). Recently, graph neural networks (GNNs) have developed rapidly and been applied to text classification tasks. As a special kind of graph data, the tree has a simpler…

Computation and Language · Computer Science 2022-08-23 Chong Zhang , He Zhu , Xingyu Peng , Junran Wu , Ke Xu

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…

Biomolecules · Quantitative Biology 2025-05-27 Mohammad Molaee , Nasrollah Moghadam Charkari , Foad Ghaderi

Biological networks display a variety of activity patterns reflecting a web of interactions that is complex both in space and time. Yet inference methods have mainly focused on reconstructing, from the network's activity, the spatial…

Neurons and Cognition · Quantitative Biology 2015-08-19 Cristiano Capone , Carla Filosa , Guido Gigante , Federico Ricci-Tersenghi , Paolo del Giudice

Clinical outcome prediction based on the Electronic Health Record (EHR) plays a crucial role in improving the quality of healthcare. Conventional deep sequential models fail to capture the rich temporal patterns encoded in the longand…

Machine Learning · Computer Science 2019-08-27 Luchen Liu , Haoran Li , Zhiting Hu , Haoran Shi , Zichang Wang , Jian Tang , Ming Zhang

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…

Artificial Intelligence · Computer Science 2018-03-13 Meng Wang

The identification of drug-target binding affinity (DTA) has attracted increasing attention in the drug discovery process due to the more specific interpretation than binary interaction prediction. Recently, numerous deep learning-based…

Machine Learning · Computer Science 2022-03-23 Zhaoyang Chu , Shichao Liu , Wen Zhang

Hard interaction learning between source sequences and their next targets is challenging, which exists in a myriad of sequential prediction tasks. During the training process, most existing methods focus on explicitly hard interactions…

Machine Learning · Computer Science 2022-02-15 Kaixi Hu , Lin Li , Qing Xie , Jianquan Liu , Xiaohui Tao

Lattice Hamiltonian systems underpin models across condensed matter, nonlinear optics, and biophysics, yet learning their dynamics from data is obstructed by two unknowns: the interaction topology and whether node dynamics are homogeneous.…

Machine Learning · Computer Science 2026-04-28 Ru Geng , Panayotis Kevrekidis , Yixian Gao , Hong-Kun Zhang , Jian Zu

To enjoy more social network services, users nowadays are usually involved in multiple online sites at the same time. Aligned social networks provide more information to alleviate the problem of data insufficiency. In this paper, we target…

Social and Information Networks · Computer Science 2019-10-15 Yizhu Jiao , Yun Xiong , Jiawei Zhang , Yangyong Zhu

Electronic health records arise from the complex interaction between patients and the healthcare system. This observation process of interactions, referred to as clinical presence, often impacts observed outcomes. When using electronic…

Machine Learning · Computer Science 2025-08-08 Vincent Jeanselme , Glen Martin , Matthew Sperrin , Niels Peek , Brian Tom , Jessica Barrett

In the treatment of complex diseases, treatment regimens using a single drug often yield limited efficacy and can lead to drug resistance. In contrast, combination drug therapies can significantly improve therapeutic outcomes through…

Machine Learning · Computer Science 2026-04-24 Jiyan Song , Wenyang Wang , Chengcheng Yan , Zhiquan Han , Feifei Zhao