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Predicting whether a chemical structure shares a desired biological effect can have a significant impact for in-silico compound screening in early drug discovery. In this study, we developed a deep learning model where compound structures…

Quantitative Methods · Quantitative Biology 2020-04-03 C. Fotis , N. Meimetis , A. Sardis , L. G. Alexopoulos

Bayesian variable selection regression (BVSR) is able to jointly analyze genome-wide genetic datasets, but the slow computation via Markov chain Monte Carlo (MCMC) hampered its wide-spread usage. Here we present a novel iterative method to…

Computation · Statistics 2018-07-31 Quan Zhou , Yongtao Guan

Integrative learning of multiple datasets has the potential to mitigate the challenge of small $n$ and large $p$ that is often encountered in analysis of big biomedical data such as genomics data. Detection of weak yet important signals can…

Methodology · Statistics 2022-07-04 Changgee Chang , Zongyu Dai , Jihwan Oh , Qi Long

Mammography stands as the main screening method for detecting breast cancer early, enhancing treatment success rates. The segmentation of landmark structures in mammography images can aid the medical assessment in the evaluation of cancer…

Image and Video Processing · Electrical Eng. & Systems 2025-03-31 Jan Hurtado , Joao P. Maia , Cesar A. Sierra-Franco , Alberto Raposo

We now need more than ever to make genome analysis more intelligent. We need to read, analyze, and interpret our genomes not only quickly, but also accurately and efficiently enough to scale the analysis to population level. There currently…

Histopathology remains the gold standard for cancer diagnosis and prognosis. With the advent of transcriptome profiling, multi-modal learning combining transcriptomics with histology offers more comprehensive information. However, existing…

Image and Video Processing · Electrical Eng. & Systems 2026-03-03 Yupei Zhang , Xiaofei Wang , Anran Liu , Lequan Yu , Chao Li

This thesis develops computational methods in similarity-preserving hashing, classification, and cancer genomics. Standard space partitioning-based hashing relies on Binary Search Trees (BSTs), but their exponential growth and sparsity…

Machine Learning · Computer Science 2025-08-26 Prashant Gupta

The transcriptomics of cancer tumors are characterized with tens of thousands of gene expression features. Patient prognosis or tumor stage can be assessed by machine learning techniques like supervised classification tasks given a gene…

Machine Learning · Computer Science 2020-04-13 Martin Palazzo , Patricio Yankilevich , Pierre Beauseroy

A software library for constructing and learning probabilistic models is presented. The library offers a set of building blocks from which a large variety of static and dynamic models can be built. These include hierarchical models for…

Mathematical Software · Computer Science 2012-07-09 Markus Harva , Tapani Raiko , Antti Honkela , Harri Valpola , Juha Karhunen

We present multiscale models of cancer tumor invasion with components at the molecular, cellular, and tissue levels. We provide biological justifications for the model components, present computational results from the model, and discuss…

Quantitative Methods · Quantitative Biology 2023-02-14 Bruce P. Ayati , Glenn F. Webb , Alexander R. A. Anderson

Tailoring the functional properties of advanced organic/inorganic heterogeonous devices to their intended technological applications requires knowledge and control of the microscopic structure inside the device. Atomistic quantum mechanical…

Materials Science · Physics 2019-03-13 Milica Todorović , Michael U. Gutmann , Jukka Corander , Patrick Rinke

Recent analysis identified distinct genomic subtypes of lower-grade glioma tumors which are associated with shape features. In this study, we propose a fully automatic way to quantify tumor imaging characteristics using deep learning-based…

Image and Video Processing · Electrical Eng. & Systems 2019-06-11 Mateusz Buda , Ashirbani Saha , Maciej A Mazurowski

Directed evolution is an iterative laboratory process of designing proteins with improved function by iteratively synthesizing new protein variants and evaluating their desired property with expensive and time-consuming biochemical…

Machine Learning · Computer Science 2025-09-08 Matouš Soldát , Jiří Kléma

Motivation. Understanding the pan-cancer mutational landscape offers critical insights into the molecular mechanisms underlying tumorigenesis. While patient-level machine learning techniques have been widely employed to identify tumor…

Machine Learning · Computer Science 2025-08-29 Yifan Dou , Adam Khadre , Ruben C Petreaca , Golrokh Mirzaei

The ability to accurately estimate risk of developing breast cancer would be invaluable for clinical decision-making. One promising new approach is to integrate image-based risk models based on deep neural networks. However, one must take…

Image and Video Processing · Electrical Eng. & Systems 2020-09-17 Yue Liu , Hossein Azizpour , Fredrik Strand , Kevin Smith

We consider resequencing studies of associated loci and the problem of prioritizing sequence variants for functional follow-up. Working within the multivariate linear regression framework helps us to account for correlation across variants,…

Methodology · Statistics 2016-04-06 Laurel Stell , Chiara Sabatti

Motivation: As cancer researchers have come to appreciate the importance of intratumor heterogeneity, much attention has focused on the challenges of accurately profiling heterogeneity in individual patients. Experimental technologies for…

Genomics · Quantitative Biology 2018-02-07 Theodore Roman , Lu Xie , Russell Schwartz

Glioblastoma is profoundly heterogeneous in regional microstructure and vasculature. Characterizing the spatial heterogeneity of glioblastoma could lead to more precise treatment. With unsupervised learning techniques, glioblastoma…

Machine Learning · Computer Science 2021-08-24 Yifan Li , Chao Li , Yiran Wei , Stephen Price , Carola-Bibiane Schönlieb , Xi Chen

Network-based analyses of high-throughput genomics data provide a holistic, systems-level understanding of various biological mechanisms for a common population. However, when estimating multiple networks across heterogeneous…

Deep learning motivated by convolutional neural networks has been highly successful in a range of medical imaging problems like image classification, image segmentation, image synthesis etc. However for validation and interpretability, not…

Image and Video Processing · Electrical Eng. & Systems 2024-08-19 Abhinav Sagar