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The task of clustering unlabeled time series and sequences entails a particular set of challenges, namely to adequately model temporal relations and variable sequence lengths. If these challenges are not properly handled, the resulting…

Machine Learning · Statistics 2019-02-19 Daniel J. Trosten , Andreas S. Strauman , Michael Kampffmeyer , Robert Jenssen

Developing new drugs for target diseases is a time-consuming and expensive task, drug repurposing has become a popular topic in the drug development field. As much health claim data become available, many studies have been conducted on the…

Machine Learning · Computer Science 2023-02-22 Yaobin Ling , Pulakesh Upadhyaya , Luyao Chen , Xiaoqian Jiang , Yejin Kim

Knowledge graphs (KGs) on COVID-19 have been constructed to accelerate the research process of COVID-19. However, KGs are always incomplete, especially the new constructed COVID-19 KGs. Link prediction task aims to predict missing entities…

Computers and Society · Computer Science 2021-11-30 Weichuan Wang , Zhiwen Xie , Jin Liu , Yucong Duan , Bo Huang , Junsheng Zhang

Since the classification of COVID-19 as a global pandemic, there have been many attempts to treat and contain the virus. Although there is no specific antiviral treatment recommended for COVID-19, there are several drugs that can…

Information Retrieval · Computer Science 2020-10-12 Ramya Tekumalla , Juan M. Banda

The year 2020 has seen an unprecedented COVID-19 pandemic due to the outbreak of a novel strain of coronavirus in 180 countries. In a desperate effort to discover new drugs and vaccines for COVID-19, many scientists are working around the…

Information Retrieval · Computer Science 2020-04-07 Sabber Ahamed , Manar Samad

In a worldwide health crisis as exigent as COVID-19, there has become a pressing need for rapid, reliable diagnostics. Currently, popular testing methods such as reverse transcription polymerase chain reaction (RT-PCR) can have high false…

Image and Video Processing · Electrical Eng. & Systems 2022-07-15 Justin Liu

We present an end-to-end, interpretable, deep-learning architecture to learn a graph kernel that predicts the outcome of chronic disease drug prescription. This is achieved through a deep metric learning collaborative with a Support Vector…

Machine Learning · Computer Science 2020-08-06 Hao-Ren Yao , Der-Chen Chang , Ophir Frieder , Wendy Huang , I-Chia Liang , Chi-Feng Hung

Pharmaceutical researchers are continually searching for techniques to improve both drug development processes and patient outcomes. An area of recent interest is the potential for machine learning (ML) applications within pharmacology. One…

Applications · Statistics 2024-06-26 Jackson P. Lautier , Stella Grosser , Jessica Kim , Hyewon Kim , Junghi Kim

The area of constrained clustering has been extensively explored by researchers and used by practitioners. Constrained clustering formulations exist for popular algorithms such as k-means, mixture models, and spectral clustering but have…

Machine Learning · Computer Science 2021-01-11 Hongjing Zhang , Tianyang Zhan , Sugato Basu , Ian Davidson

There are many ways machine learning and big data analytics are used in the fight against the COVID-19 pandemic, including predictions, risk management, diagnostics, and prevention. This study focuses on predicting COVID-19 patient…

Machine Learning · Computer Science 2022-04-19 Vithya Yogarajan , Jacob Montiel , Tony Smith , Bernhard Pfahringer

Machine learning (ML) offers considerable promise for the design of new molecules and materials. In real-world applications, the design problem is often domain-specific, and suffers from insufficient data, particularly labeled data, for ML…

Chemical Physics · Physics 2025-02-04 Ming Han , Ge Sun , Juan J. de Pablo

This paper proposes a novel approach to person re-identification, a fundamental task in distributed multi-camera surveillance systems. Although a variety of powerful algorithms have been presented in the past few years, most of them usually…

Computer Vision and Pattern Recognition · Computer Science 2016-05-04 Shi-Zhe Chen , Chun-Chao Guo , Jian-Huang Lai

Network medicine has been pursued for Covid-19 drug repurposing. One such approach adopts structural controllability, a theory for controlling a network (the cell). Motivated to protect the cell from viral infections, we extended this…

Molecular Networks · Quantitative Biology 2024-03-28 Xinru Wei , Chunyu Pan , Xizhe Zhang , Weixiong Zhang

In today's data-driven digital era, the amount as well as complexity, such as multi-view, non-Euclidean, and multi-relational, of the collected data are growing exponentially or even faster. Clustering, which unsupervisely extracts valid…

Machine Learning · Computer Science 2025-01-10 Zhao Kang , Xuanting Xie , Bingheng Li , Erlin Pan

Across many areas, from neural tracking to database entity resolution, manual assessment of clusters by human experts presents a bottleneck in rapid development of scalable and specialized clustering methods. To solve this problem we…

Machine Learning · Statistics 2020-03-20 Hanlin Zhu , Xue Li , Liuyang Sun , Fei He , Zhengtuo Zhao , Lan Luan , Ngoc Mai Tran , Chong Xie

The global pandemic due to emergence of COVID 19 has created the unrivaled public health crisis. It has huge morbidity rate never comprehended in the recent decades. Researchers have made many efforts to find the optimal solution of this…

Quantitative Methods · Quantitative Biology 2024-09-26 Imra Aqeel

In structure-based drug design, accurately estimating the binding affinity between a candidate ligand and its protein receptor is a central challenge. Recent advances in artificial intelligence, particularly deep learning, have demonstrated…

Biomolecules · Quantitative Biology 2025-09-18 Md Masud Rana , Farjana Tasnim Mukta , Duc D. Nguyen

Clustering is a class of unsupervised learning methods that has been extensively applied and studied in computer vision. Little work has been done to adapt it to the end-to-end training of visual features on large scale datasets. In this…

Computer Vision and Pattern Recognition · Computer Science 2019-03-19 Mathilde Caron , Piotr Bojanowski , Armand Joulin , Matthijs Douze

In the fight against the COVID-19 pandemic, leveraging artificial intelligence to predict disease outcomes from chest radiographic images represents a significant scientific aim. The challenge, however, lies in the scarcity of large,…

Image and Video Processing · Electrical Eng. & Systems 2026-02-16 Filippo Ruffini , Lorenzo Tronchin , Zhuoru Wu , Wenting Chen , Paolo Soda , Linlin Shen , Valerio Guarrasi

The novel nature of SARS-CoV-2 calls for the development of efficient de novo drug design approaches. In this study, we propose an end-to-end framework, named CogMol (Controlled Generation of Molecules), for designing new drug-like small…