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The aim in many sciences is to understand the mechanisms that underlie the observed distribution of variables, starting from a set of initial hypotheses. Causal discovery allows us to infer mechanisms as sets of cause and effect…

Machine Learning · Computer Science 2025-03-05 Ashka Shah , Adela DePavia , Nathaniel Hudson , Ian Foster , Rick Stevens

Reverse-phase protein array (RPPA) analysis is a powerful, relatively new platform that allows for high-throughput, quantitative analysis of protein networks. One of the challenges that currently limit the potential of this technology is…

Nuclei classification provides valuable information for histopathology image analysis. However, the large variations in the appearance of different nuclei types cause difficulties in identifying nuclei. Most neural network based methods are…

Computer Vision and Pattern Recognition · Computer Science 2023-02-23 Wei Lou , Xiang Wan , Guanbin Li , Xiaoying Lou , Chenghang Li , Feng Gao , Haofeng Li

The recent development of high-throughput sequencing creates a large collection of multi-omics data, which enables researchers to better investigate cancer molecular profiles and cancer taxonomy based on molecular subtypes. Integrating…

Genomics · Quantitative Biology 2024-01-25 Bingjun Li , Sheida Nabavi

Recent research efforts have shown the possibility to discover anticancer drug-like molecules in food from their effect on protein-protein interaction networks, opening a potential pathway to disease-beating diet design. We formulate this…

Machine Learning · Computer Science 2020-01-17 Guadalupe Gonzalez , Shunwang Gong , Ivan Laponogov , Kirill Veselkov , Michael Bronstein

Brain tumors are an abnormal growth of cells in the brain. They can be classified into distinct grades based on their growth. Often grading is performed based on a histological image and is one of the most significant predictors of a…

Computer Vision and Pattern Recognition · Computer Science 2024-03-12 Omnia Alwazzan , Abbas Khan , Ioannis Patras , Gregory Slabaugh

Deep generative models for graphs have exhibited promising performance in ever-increasing domains such as design of molecules (i.e, graph of atoms) and structure prediction of proteins (i.e., graph of amino acids). Existing work typically…

Machine Learning · Computer Science 2021-01-21 Wenbin Zhang , Liming Zhang , Dieter Pfoser , Liang Zhao

Cancer is a complex disease driven by dynamic regulatory shifts that cannot be fully captured by individual molecular profiling. We employ a data-driven approach to construct a coarse-grained dynamic network model based on hallmark…

Quantitative Methods · Quantitative Biology 2025-02-28 Jiahe Wang , Yan Wu , Yuke Hou , Yang Li , Dachuan Xu , Changjing Zhuge , Yue Han

Research in bioinformatics is a complex phenomenon as it overlaps two knowledge domains, namely, biological and computer sciences. This paper has tried to introduce an efficient data mining approach for classifying proteins into some useful…

Computational Engineering, Finance, and Science · Computer Science 2011-11-11 Muhammad Mahbubur Rahman , Arif Ul Alam , Abdullah-Al-Mamun , Tamnun E Mursalin

The noval method for mutational disease prediction using bioinformatics tools and datasets for diagnosis the malignant mutations with powerful Artificial Neural Network (Backpropagation Network) for classifying these malignant mutations are…

Computational Engineering, Finance, and Science · Computer Science 2013-06-11 Ayad Ghany Ismaeel , Anar Auda Ablahad

In this study, we tackle the challenging task of predicting secondary structures from protein primary sequences, a pivotal initial stride towards predicting tertiary structures, while yielding crucial insights into protein activity,…

Machine Learning · Computer Science 2025-11-18 Disha Varshney , Samarth Garg , Sarthak Tyagi , Deeksha Varshney , Nayan Deep , Asif Ekbal

Introduction: molecular geometry, the three-dimensional arrangement of atoms within a molecule, is fundamental to understanding chemical reactivity, physical properties, and biological activity. The prevailing models used to describe…

General Physics · Physics 2026-05-12 Sebastian Ali Sacasa-Cespedes

GraphRT is a graph based deep learning model that predicts the retention time (RT) of peptides in liquid chromatography tandem mass spectrometry (LC MSMS) experiments. Each amino acid is represented as a graph, capturing its atomic and…

Biomolecules · Quantitative Biology 2024-02-06 Mark Drvodelic , Mingming Gong , Andrew I. Webb

This paper describes a novel Python package, named causalgraph, for modeling and saving causal graphs embedded in knowledge graphs. The package has been designed to provide an interface between causal disciplines such as causal discovery…

Artificial Intelligence · Computer Science 2023-01-23 Sven Pieper , Carl Willy Mehling , Dominik Hirsch , Tobias Lüke , Steffen Ihlenfeldt

Breast cancer is a relatively common cancer among gynecological cancers. Its diagnosis often relies on the pathology of cells in the lesion. The pathological diagnosis of breast cancer not only requires professionals and time, but also…

Image and Video Processing · Electrical Eng. & Systems 2024-04-15 MingXuan Xiao , Yufeng Li , Xu Yan , Min Gao , Weimin Wang

In this review we summarize our recent efforts in trying to understand the role of heterogeneity in cancer progression by using neural networks to characterise different aspects of the mapping from a cancer cells genotype and environment to…

Tissues and Organs · Quantitative Biology 2014-04-29 Philip Gerlee , Eunjung Kim , Alexander R. A. Anderson

Graph clustering is a fundamental technique in data analysis with applications in many different fields. While there is a large body of work on clustering undirected graphs, the problem of clustering directed graphs is much less understood.…

Physics and Society · Physics 2025-01-31 James Martin , Tim Rogers , Luca Zanetti

Multiplexed immunofluorescence provides an unprecedented opportunity for studying specific cell-to-cell and cell microenvironment interactions. We employ graph neural networks to combine features obtained from tissue morphology with…

The cells and their spatial patterns in the tumor microenvironment (TME) play a key role in tumor evolution, and yet the latter remains an understudied topic in computational pathology. This study, to the best of our knowledge, is among the…

Quantitative Methods · Quantitative Biology 2021-09-21 Pingjun Chen , Muhammad Aminu , Siba El Hussein , Joseph D. Khoury , Jia Wu

Graph topology identification (GTI) is a central challenge in networked systems, where the underlying structure is often hidden, yet nodal data are available. Conventional solutions to address these challenges rely on probabilistic models…

Signal Processing · Electrical Eng. & Systems 2026-02-18 Yongsheng Han , Raj Thilak Rajan , Geert Leus