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Breast cancer is one of the leading causes of death among women across the globe. It is difficult to treat if detected at advanced stages, however, early detection can significantly increase chances of survival and improves lives of…

Image and Video Processing · Electrical Eng. & Systems 2023-08-17 Unaiza Sajid , Rizwan Ahmed Khan , Shahid Munir Shah , Sheeraz Arif

Drug Discovery is a fundamental and ever-evolving field of research. The design of new candidate molecules requires large amounts of time and money, and computational methods are being increasingly employed to cut these costs. Machine…

Machine Learning · Statistics 2021-05-28 Pietro Bongini , Monica Bianchini , Franco Scarselli

Gastric cancer is one of the most commonly diagnosed cancers and has a high mortality rate. Due to limited medical resources, developing machine learning models for gastric cancer recognition provides an efficient solution for medical…

Machine Learning · Computer Science 2025-03-21 Yuxin Miao , Xinyuan Yang , Hongda Fan , Yichun Li , Yishu Hong , Xiechen Guo , Ali Braytee , Weidong Huang , Ali Anaissi

Graph neural networks (GNNs), which are capable of learning representations from graphical data, are naturally suitable for modeling molecular systems. This review introduces GNNs and their various applications for small organic molecules.…

Machine Learning · Computer Science 2023-10-10 Yuyang Wang , Zijie Li , Amir Barati Farimani

Graph neural networks (GNNs) have been used extensively for addressing problems in drug design and discovery. Both ligand and target molecules are represented as graphs with node and edge features encoding information about atomic elements…

Machine Learning · Computer Science 2021-10-14 Dhananjay Bhaskar , Jackson D. Grady , Michael A. Perlmutter , Smita Krishnaswamy

Accurate prediction of molecular properties is essential in drug discovery and related fields. However, existing graph neural networks (GNNs) often struggle to simultaneously capture both local and global molecular structures. In this work,…

Machine Learning · Computer Science 2025-08-26 XiaYu Liu , Chao Fan , Yang Liu , Hou-biao Li

Drug combination therapy has become a increasingly promising method in the treatment of cancer. However, the number of possible drug combinations is so huge that it is hard to screen synergistic drug combinations through wet-lab…

Machine Learning · Computer Science 2021-07-07 J. Wang , X. Liu , S. Shen , L. Deng , H. Liu*

Graph is a universe data structure that is widely used to organize data in real-world. Various real-word networks like the transportation network, social and academic network can be represented by graphs. Recent years have witnessed the…

Machine Learning · Computer Science 2021-11-23 Xueyi Liu , Jie Tang

Graph Neural Networks (GNNs) have achieved promising performance in a variety of graph-focused tasks. Despite their success, however, existing GNNs suffer from two significant limitations: a lack of interpretability in their results due to…

Machine Learning · Statistics 2024-11-19 Wenzhuo Zhou , Annie Qu , Keiland W. Cooper , Norbert Fortin , Babak Shahbaba

Despite the transformative impact of deep learning on text, audio, and image datasets, its dominance in tabular data, especially in the medical domain where data are often scarce, remains less clear. In this paper, we propose X2Graph, a…

Machine Learning · Computer Science 2025-05-30 Tu Bui , Mohamed Suliman , Aparajita Haldar , Mohammed Amer , Serban Georgescu

There exists unexplained diverse variation within the predefined colon cancer stages using only features either from genomics or histopathological whole slide images as prognostic factors. Unraveling this variation will bring about improved…

Quantitative Methods · Quantitative Biology 2022-12-15 Olalekan Ogundipe , Zeyneb Kurt , Wai Lok Woo

We consider the analysis of high dimensional data given in the form of a matrix with columns consisting of observations and rows consisting of features. Often the data is such that the observations do not reside on a regular grid, and the…

Machine Learning · Statistics 2017-08-22 Gal Mishne , Ronen Talmon , Israel Cohen , Ronald R. Coifman , Yuval Kluger

We consider feature representation learning problem of molecular graphs. Graph Neural Networks have been widely used in feature representation learning of molecular graphs. However, most existing methods deal with molecular graphs…

Machine Learning · Computer Science 2022-06-08 Zhaoning Yu , Hongyang Gao

Recently, neural models for information retrieval are becoming increasingly popular. They provide effective approaches for product search due to their competitive advantages in semantic matching. However, it is challenging to use…

Information Retrieval · Computer Science 2019-01-25 Yuan Zhang , Dong Wang , Yan Zhang

The recent proliferation of publicly available graph-structured data has sparked an interest in machine learning algorithms for graph data. Since most traditional machine learning algorithms assume data to be tabular, embedding algorithms…

Machine Learning · Computer Science 2019-08-09 Sourav Mukherjee , Tim Oates , Ryan Wright

Breast cancer screening, primarily conducted through mammography, is often supplemented with ultrasound for women with dense breast tissue. However, existing deep learning models analyze each modality independently, missing opportunities to…

Image and Video Processing · Electrical Eng. & Systems 2023-11-16 Yiqiu Shen , Jungkyu Park , Frank Yeung , Eliana Goldberg , Laura Heacock , Farah Shamout , Krzysztof J. Geras

Mapping complex input data into suitable lower dimensional manifolds is a common procedure in machine learning. This step is beneficial mainly for two reasons: (1) it reduces the data dimensionality and (2) it provides a new data…

Machine Learning · Computer Science 2018-11-28 Daniele Zambon , Lorenzo Livi , Cesare Alippi

Cancer is responsible for millions of deaths worldwide every year. Although significant progress has been achieved in cancer medicine, many issues remain to be addressed for improving cancer therapy. Appropriate cancer patient…

Machine Learning · Computer Science 2021-03-31 David Oniani , Chen Wang , Yiqing Zhao , Andrew Wen , Hongfang Liu , Feichen Shen

Cancer is responsible for millions of deaths worldwide every year. Although significant progress hasbeen achieved in cancer medicine, many issues remain to be addressed for improving cancer therapy.Appropriate cancer patient stratification…

Machine Learning · Computer Science 2021-01-18 David Oniani , Chen Wang , Yiqing Zhao , Andrew Wen , Hongfang Liu , Feichen Shen

In recent years, tasks of machine learning ranging from image processing & audio/video analysis to natural language understanding have been transformed by deep learning. The data content in all these scenarios are expressed via Euclidean…

Machine Learning · Computer Science 2023-11-07 Adil Mudasir Malla , Asif Ali Banka