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Transcriptional profiling on microarrays to obtain gene expressions has been used to facilitate cancer diagnosis. We propose a deep generative machine learning architecture (called DeepCancer) that learn features from unlabeled microarray…

Artificial Intelligence · Computer Science 2016-12-14 Rajendra Rana Bhat , Vivek Viswanath , Xiaolin Li

This paper explores interpretability techniques for two of the most successful learning algorithms in medical decision-making literature: deep neural networks and random forests. We applied these algorithms in a real-world medical dataset…

Machine Learning · Computer Science 2020-02-24 Catarina Moreira , Renuka Sindhgatta , Chun Ouyang , Peter Bruza , Andreas Wichert

Accurately modeling and designing protein complex structures is a central problem in computational structural biology, with broad implications for understanding cellular function and developing therapeutics. This thesis investigates two…

Machine Learning · Computer Science 2026-05-13 Ziwei Xie

Graphical models are powerful tools to investigate complex dependency structures in high-throughput datasets. However, most existing graphical models make one of the two canonical assumptions: (i) a homogeneous graph with a common network…

Methodology · Statistics 2023-10-31 Tsung-Hung Yao , Yang Ni , Anindya Bhadra , Jian Kang , Veerabhadran Baladandayuthapani

Recently, there has been a resurgence of interest in rigorous algorithms for the inference of cancer progression from genomic data. The motivations are manifold: (i) growing NGS and single cell data from cancer patients, (ii) need for novel…

Machine Learning · Computer Science 2016-02-25 Daniele Ramazzotti

Graph neural networks trained to predict observable dynamics can be used to decompose the temporal activity of complex heterogeneous systems into simple, interpretable representations. Here we apply this framework to simulated neural…

Neurons and Cognition · Quantitative Biology 2026-02-17 Cédric Allier , Larissa Heinrich , Magdalena Schneider , Stephan Saalfeld

Interpretable machine learning has emerged as central in leveraging artificial intelligence within high-stakes domains such as healthcare, where understanding the rationale behind model predictions is as critical as achieving high…

Machine Learning · Computer Science 2024-04-30 Christel Sirocchi , Martin Urschler , Bastian Pfeifer

Cancers remain the lead cause of disease-related, pediatric death in North America. The emerging field of complex systems has redefined cancer networks as a computational system with intractable algorithmic complexity. Herein, a tumor and…

Other Quantitative Biology · Quantitative Biology 2021-08-31 Abicumaran Uthamacumaran

In this paper, we propose a method for knowledge graph construction in power distribution networks. This method leverages entity features, which involve their semantic, phonetic, and syntactic characteristics, in both the knowledge graph of…

Computation and Language · Computer Science 2024-01-30 Xiang Li , Che Wang , Bing Li , Hao Chen , Sizhe Li

We introduce a new framework for manipulating and interacting with deep generative models that we call network bending. We present a comprehensive set of deterministic transformations that can be inserted as distinct layers into the…

Computer Vision and Pattern Recognition · Computer Science 2021-03-15 Terence Broad , Frederic Fol Leymarie , Mick Grierson

Single particle, cryogenic electron microscopy (cryo-EM) experiments now routinely produce high-resolution data for large proteins and their complexes. Building an atomic model into a cryo-EM density map is challenging, particularly when no…

Biomolecules · Quantitative Biology 2020-09-04 Po-Nan Li , Saulo H. P. de Oliveira , Soichi Wakatsuki , Henry van den Bedem

Molecular property calculations are the bedrock of chemical physics. High-fidelity \textit{ab initio} modeling techniques for computing the molecular properties can be prohibitively expensive, and motivate the development of…

Machine Learning · Computer Science 2022-11-28 Hatem Helal , Jesun Firoz , Jenna Bilbrey , Mario Michael Krell , Tom Murray , Ang Li , Sotiris Xantheas , Sutanay Choudhury

Graph neural networks (GNNs) have emerged as powerful tools for learning protein structures by capturing spatial relationships at the residue level. However, existing GNN-based methods often face challenges in learning multiscale…

Machine Learning · Computer Science 2026-02-03 Shih-Hsin Wang , Yuhao Huang , Taos Transue , Justin Baker , Jonathan Forstater , Thomas Strohmer , Bao Wang

Molecular data from tumor profiles is high dimensional. Tumor profiles can be characterized by tens of thousands of gene expression features. Due to the size of the gene expression feature set machine learning methods are exposed to noisy…

Machine Learning · Computer Science 2020-07-14 Martin Palazzo , Pierre Beauseroy , Patricio Yankilevich

Complex gene interactions play a significant role in cancer progression, driving cellular behaviors that contribute to tumor growth, invasion, and metastasis. Gene co-expression networks model the functional connectivity between genes under…

Molecular Networks · Quantitative Biology 2024-11-27 Radwa Adel , Ercan Engin Kuruoglu

Unraveling the co-expression of genes across studies enhances the understanding of cellular processes. Inferring gene co-expression networks from transcriptome data presents many challenges, including spurious gene correlations, sample…

Machine Learning · Statistics 2024-10-01 Teodora Pandeva , Martijs Jonker , Leendert Hamoen , Joris Mooij , Patrick Forré

We study networks constructed from gene expression data obtained from many types of cancers. The networks are constructed by connecting vertices that belong to each others' list of K-nearest-neighbors, with K being an a priori selected…

Soft Condensed Matter · Physics 2009-11-07 Himanshu Agrawal

Not all nodes in a network are created equal. Differences and similarities exist at both individual node and group levels. Disentangling single node from group properties is crucial for network modeling and structural inference. Based on…

Statistical Mechanics · Physics 2015-05-20 Joerg Reichardt , Roberto Alamino , David Saad

Causal inference approaches in systems genetics exploit quantitative trait loci (QTL) genotypes to infer causal relationships among phenotypes. The genetic architecture of each phenotype may be complex, and poorly estimated genetic…

Applications · Statistics 2010-10-08 Elias Chaibub Neto , Mark P. Keller , Alan D. Attie , Brian S. Yandell

In this work, we consider the exponentially growing subarea of genetics in cancer. The need to synthesize and centralize this evidence for dissemination has motivated a team of physicians to manually construct and maintain a knowledge base…

Computation and Language · Computer Science 2020-05-27 Somin Wadhwa , Kanhua Yin , Kevin S. Hughes , Byron C. Wallace
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