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iTReX: Interactive exploration of mono- and combination therapy dose response profiling data

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Pharmacological Research 2022年 175卷 105996-105996页

作者： ElHarouni, Dina Berker, Yannick Peterziel, Heike Gopisetty, Apurva Turunen, Laura Kreth, Sina Stainczyk, Sabine A. Oehme, Ina Pietiäinen, Vilja Jäger, Natalie Witt, Olaf Schlesner, Matthias Oppermann, Sina Bioinformatics and Omics Data Analytics German Cancer Research Center (DKFZ) Heidelberg Germany Hopp Children's Cancer Center (KiTZ) Heidelberg Germany Division of Pediatric Neurooncology German Cancer Research Center (DKFZ) and German Cancer Consortium (DKTK) Heidelberg Germany Faculty of Biosciences Heidelberg University Heidelberg Germany Clinical Cooperation Unit Pediatric Oncology German Cancer Research Center (DKFZ) and German Cancer Consortium (DKTK) Heidelberg Germany Institute for Molecular Medicine Finland (FIMM) Helsinki Institute of Life Science (HiLIFE) University of Helsinki Helsinki Finland Division of Neuroblastoma Genomics German Cancer Research Center (DKFZ) and German Cancer Consortium (DKTK) Heidelberg Germany Department of Pediatric Oncology Hematology Immunology and Pulmonology Heidelberg University Hospital Heidelberg Germany Biomedical Informatics Data Mining and Data Analytics Faculty of Applied Computer Science and Medical Faculty University of Augsburg Augsburg Germany

High throughput screening methods, measuring the sensitivity and resistance of tumor cells to drug treatments have been rapidly evolving. Not only do these screens allow correlating response profiles to tumor genomic features for developing novel predictors of treatment response, but they can also add evidence for therapy decision making in precision oncology. Recent analysis methods developed for either assessing single agents or combination drug efficacies enable quantification of dose-response curves with restricted symmetric fit settings. Here, we introduce iTReX, a user-friendly and interactive Shiny/R application, for both the analysis of mono- and combination therapy responses. The application features an extended version of the drug sensitivity score (DSS) based on the integral of an advanced five-parameter dose-response curve model and a differential DSS for combination therapy profiling. Additionally, iTReX includes modules that visualize drug target interaction networks and support the detection of matches between top therapy hits and the sample omics features to enable the identification of druggable targets and biomarkers. iTReX enables the analysis of various quantitative drug or therapy response readouts (e.g. luminescence, fluorescence microscopy) and multiple treatment strategies (drug treatments, radiation). Using iTReX we validate a cost-effective drug combination screening approach and reveal the application's ability to identify potential sample-specific biomarkers based on drug target interaction networks. The iTReX web application is accessible at https://*** © 2021 The Authors

关键词： Asymmetric sensitivity scoring Differential combination sensitivity scoring Drug target networks Interactive drug screen analysis Personalized medicine Therapy response profiling and exploration

Learning deterministic hydrodynamic equations from stochastic active particle dynamics

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arXiv 2022年

作者： Maddu, Suryanarayana Vagne, Quentin Sbalzarini, Ivo F. Technische Universität Dresden Faculty of Computer Science Dresden01069 Germany Max Planck Institute of Molecular Cell Biology and Genetics Dresden01307 Germany Center for Systems Biology Dresden Dresden01307 Germany Center for Scalable Data Analytics and Artificial Intelligence ScaDS.AI Dresden Leipzig Germany Cluster of Excellence Physics of Life TU Dresden Germany Max Planck Institute for the Physics of Complex Systems Dresden01187 Germany Department of Genetics and Evolution University of Geneva Switzerland

We present a principled data-driven strategy for learning deterministic hydrodynamic models directly from stochastic non-equilibrium active particle trajectories. We apply our method to learning a hydrodynamic model for the propagating density lanes observed in self-propelled particle systems and to learning a continuum description of cell dynamics in epithelial tissues. We also infer from stochastic particle trajectories the latent phoretic fields driving chemotaxis. This demonstrates that statistical learning theory combined with physical priors can enable discovery of multi-scale models of non-equilibrium stochastic processes characteristic of collective movement in living systems. © 2022, CC BY.

关键词： Stochastic systems

Assessing Trustworthy AI in Times of COVID-19: Deep Learning for Predicting a Multiregional Score Conveying the Degree of Lung Compromise in COVID-19 Patients

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IEEE Transactions on Technology and Society

IEEE Transactions on Technology and Society 2022年第4期3卷 272-289页

作者： Allahabadi, Himanshi Amann, Julia Balot, Isabelle Beretta, Andrea Binkley, Charles Bozenhard, Jonas Bruneault, Frederick Brusseau, James Candemir, Sema Cappellini, Luca Alessandro Chakraborty, Subrata Cherciu, Nicoleta Cociancig, Christina Coffee, Megan Ek, Irene Espinosa-Leal, Leonardo Farina, Davide Fieux-Castagnet, Genevieve Frauenfelder, Thomas Gallucci, Alessio Giuliani, Guya Golda, Adam Van Halem, Irmhild Hildt, Elisabeth Holm, Sune Kararigas, Georgios Krier, Sebastien A. Kuhne, Ulrich Lizzi, Francesca Madai, Vince I. Markus, Aniek F. Masis, Serg Mathez, Emilie Wiinblad Mureddu, Francesco Neri, Emanuele Osika, Walter Ozols, Matiss Panigutti, Cecilia Parent, Brendan Pratesi, Francesca Moreno-Sanchez, Pedro A. Sartor, Giovanni Savardi, Mattia Signoroni, Alberto Sormunen, Hanna-Maria Spezzatti, Andy Srivastava, Adarsh Stephansen, Annette F. Theng, Lau Bee Tithi, Jesmin Jahan Tuominen, Jarno Umbrello, Steven Vaccher, Filippo Vetter, Dennis Westerlund, Magnus Wurth, Renee Zicari, Roberto V. Ey Netherlands Enterprise Intelligence Department Amsterdam1083 HP Netherlands Eth Zurich Health Ethics and Policy Lab Department of Health Sciences and Technology Zürich8092 Switzerland Center for Diplomatic and Strategic Studies Postgraduate Studies in Diplomacy and International Relations Paris75015 France Pisa56124 Italy Hackensack Meridian Health Bioethics Center EdisonNJ08820 United States University of Oxford Faculty of Philosophy OxfordOX2 6GG United Kingdom Collège André- Laurendeau Philosophie Department MontrealQCH8N 2J4 Canada Université du Québec À Montréal École des Médias MontrealQCH2L 2C4 Canada Pace University Philosophy Department New YorkNY10038 United States The Ohio State University Wexner Medical Center Department of Radiology ColumbusOH43210 United States Humanitas Research Hospital Department of Radiology Milan20089 Italy Humanitas University Department of Biomedical Sciences Milan20089 Italy University of New England Faculty of Science Agriculture Business and Law ArmidaleNSW2351 Australia University of Technology Sydney Faculty of Engineering and Information Technology SydneyNSW2007 Australia Scuola Superiore Sant'Anna European Centre of Excellence on the Regulation of Robotics and Ai Pisa56127 Italy University of Bremen Group of Computer Architecture Bremen28359 Germany New York University Grossman School of Medicine Division of Infectious Diseases and Immunology Department of Medicine New YorkNY10016 United States Digital Institute Ai Research Section Stockholm16731 Sweden Arcada University of Applied Sciences Department of Business Management and Analytics Helsinki00550 Finland University of Brescia Radiological Sciences and Public Health Department of Medical and Surgical Specialties Brescia25121 Italy Sncf Reseau Sa Ethique Groupe La Plaine93418 France Institute of Diagnostic and Interventional Radiology University Hospital Zurich Zürich8091 Switzerland Eindhoven University of Tech

This article's main contributions are twofold: 1) to demonstrate how to apply the general European Union's High-Level Expert Group's (EU HLEG) guidelines for trustworthy AI in practice for the domain of healthcare and 2) to investigate the research question of what does 'trustworthy AI' mean at the time of the COVID-19 pandemic. To this end, we present the results of a post-hoc self-assessment to evaluate the trustworthiness of an AI system for predicting a multiregional score conveying the degree of lung compromise in COVID-19 patients, developed and verified by an interdisciplinary team with members from academia, public hospitals, and industry in time of pandemic. The AI system aims to help radiologists to estimate and communicate the severity of damage in a patient's lung from Chest X-rays. It has been experimentally deployed in the radiology department of the ASST Spedali Civili clinic in Brescia, Italy, since December 2020 during pandemic time. The methodology we have applied for our post-hoc assessment, called Z-Inspection®, uses sociotechnical scenarios to identify ethical, technical, and domain-specific issues in the use of the AI system in the context of the pandemic. © 2020 IEEE.

关键词： COVID-19

Multidimensional scaling, Sammon mapping, and Isomap: Tutorial and survey

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arXiv 2020年

作者： Ghojogh, Benyamin Ghodsi, Ali Karray, Fakhri Crowley, Mark Department of Electrical and Computer Engineering Machine Learning Laboratory University of Waterloo WaterlooON Canada Department of Statistics and Actuarial Science David R. Cheriton School of Computer Science Data Analytics Laboratory University of Waterloo WaterlooON Canada Department of Electrical and Computer Engineering Centre for Pattern Analysis and Machine Intelligence University of Waterloo WaterlooON Canada

Multidimensional Scaling (MDS) is one of the first fundamental manifold learning methods. It can be categorized into several methods, i.e., classical MDS, kernel classical MDS, metric MDS, and non-metric MDS. Sammon mapping and Isomap can be considered as special cases of metric MDS and kernel classical MDS, respectively. In this tutorial and survey paper, we review the theory of MDS, Sammon mapping, and Isomap in detail. We explain all the mentioned categories of MDS. Then, Sammon mapping, Isomap, and kernel Isomap are explained. Out-of-sample embedding for MDS and Isomap using eigenfunctions and kernel mapping are introduced. Then, Nystrom approximation and its use in landmark MDS and landmark Isomap are introduced for big data embedding. We also provide some simulations for illustrating the embedding by these methods. Copyright © 2020, The Authors. All rights reserved.

关键词： Embeddings

Multiple lung diseases detection using advanced deep learning model with attention mechanisms and upsampling features

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Engineering Applications of Artificial Intelligence 2025年 156卷

作者： Zhu, Jie Al-qaness, Mohammed A.A. AL-Alimi, Dalal Tao, Heng Zhi Alsamhi, Saeed Hamood College of Physics and Electronic Information Engineering Zhejiang Normal University Jinhua321004 China Faculty of Engineering Sana'a University Sana'a12544 Yemen Insight Centre for Data Analytics University of Galway Galway Ireland School of ICT Bahrain Polytechnic Isa Town Bahrain Department of Computer Science and Engineering College of Informatics Korea University Seoul02841 Korea Republic of

Lung diseases represent a major health challenge, necessitating accurate and timely diagnostic methods. X-ray imaging plays a critical role in diagnosing various lung conditions, with physicians traditionally relying on these images for disease identification. However, with rapid advancements in artificial intelligence and imaging technologies, the volume of medical image data has grown significantly, spurring the development of machine learning techniques, particularly deep learning, to improve diagnostic accuracy. Unlike previous studies that focused on binary or three-class classification tasks, this paper presents an efficient deep learning model capable of classifying six types of lung X-ray images. The model employs an efficient feature extraction approach by combining the Visual Geometry Group Network (VGG16) with a Convolutional Neural Network (CNN) feature fusion, further enhanced by a Squeeze-and-Excitation (SE) block and self-attention modules. This comprehensive framework enables effective classification of tuberculosis, pneumonia, COVID-19, normal lungs, lung opacity, and pneumothorax. To validate the model, we constructed a robust dataset consisting of 45,241 X-ray images sourced from multiple databases. The proposed model was evaluated in various conditions to verify its performance. It achieves a remarkable validation accuracy of 93% in detecting the six lung diseases from X-ray images. © 2025 Elsevier Ltd

关键词： Lung cancer

Stochastic Neighbor Embedding with Gaussian and Student-t Distributions: Tutorial and Survey

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arXiv 2020年

Stochastic Neighbor Embedding (SNE) is a manifold learning and dimensionality reduction method with a probabilistic approach. In SNE, every point is consider to be the neighbor of all other points with some probability and this probability is tried to be preserved in the embedding space. SNE considers Gaussian distribution for the probability in both the input and embedding spaces. However, t-SNE uses the Student-t and Gaussian distributions in these spaces, respectively. In this tutorial and survey paper, we explain SNE, symmetric SNE, t-SNE (or Cauchy-SNE), and t-SNE with general degrees of freedom. We also cover the out-of-sample extension and acceleration for these methods. Copyright © 2020, The Authors. All rights reserved.

关键词： Gaussian distribution

Locally linear embedding and its variants: Tutorial and survey

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arXiv 2020年

作者： Ghojogh, Benyamin Ghodsi, Ali Karray, Fakhri Crowley, Mark Department of Electrical and Computer Engineering Machine Learning Laboratory University of Waterloo WaterlooON Canada Department of Statistics and Actuarial Science & David R. Cheriton School of Computer Science Data Analytics Laboratory University of Waterloo WaterlooON Canada Department of Electrical and Computer Engineering Centre for Pattern Analysis and Machine Intelligence University of Waterloo WaterlooON Canada

This is a tutorial and survey paper for Locally Linear Embedding (LLE) and its variants. The idea of LLE is fitting the local structure of manifold in the embedding space. In this paper, we first cover LLE, kernel LLE, inverse LLE, and feature fusion with LLE. Then, we cover out-of-sample embedding using linear reconstruction, eigenfunctions, and kernel mapping. Incremental LLE is explained for embedding streaming data. Landmark LLE methods using the Nystrom approximation and locally linear landmarks are explained for big data embedding. We introduce the methods for parameter selection of number of neighbors using residual variance, Procrustes statistics, preservation neighborhood error, and local neighborhood selection. Afterwards, Supervised LLE (SLLE), enhanced SLLE, SLLE projection, probabilistic SLLE, supervised guided LLE (using Hilbert-Schmidt independence criterion), and semi-supervised LLE are explained for supervised and semi-supervised embedding. Robust LLE methods using least squares problem and penalty functions are also introduced for embedding in the presence of outliers and noise. Then, we introduce fusion of LLE with other manifold learning methods including Isomap (i.e., ISOLLE), principal component analysis, Fisher discriminant analysis, discriminant LLE, and Isotop. Finally, we explain weighted LLE in which the distances, reconstruction weights, or the embeddings are adjusted for better embedding;we cover weighted LLE for deformed distributed data, weighted LLE using probability of occurrence, SLLE by adjusting weights, modified LLE, and iterative LLE. Copyright © 2020, The Authors. All rights reserved.

关键词： Iterative methods

Mining player in-game time spending regularity for churn prediction in free online games

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Mining player in-game time spending regularity for churn pre...

2019 IEEE Conference on Games, CoG 2019

作者： Yang, Wanshan Huang, Ting Zeng, Junlin Yang, Gemeng Cai, Jintian Chen, Lijun Mishra, Shivakant Liu, Youjian Eugene Department of Computer Science University of Colorado Boulder BoulderCO United States Department of Data Analytics Yoozoo Games Shanghai China Department of Statistical Sciences University of Toronto TorontoON Canada Department of Electrical Computer and Energy Engineering University of Colorado Boulder BoulderCO United States

ISBN: (纸本)9781728118840

In the free online game industry, churn prediction is an important research topic. Reducing churn rate of a game significantly helps with the success of the game. Churn prediction helps a game operator identify possible churning players and keep them engaged in the game via appropriate operational strategies, marketing strategies, and/or incentives. Most churn prediction models are based on game-specific features, which limits their applicability to other games that do not share those features. In this paper, we consider developing universal features for churn predictions for long-term players. In particular, we mine player time spending regularity from data sets of two free online games. We leverage information from players' in-game time spending regularity in the form of universal features for churn prediction. Experiments show that our developed features are better at predicting churners, compared to the baseline features. The performance of our developed features is satisfactory even without game-specific features. © 2019 IEEE.

关键词： data mining

Does the 1-norm Learn a Sparse Graph under Laplacian Constrained Graphical Models?

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arXiv 2020年

作者： Ying, Jiaxi de Cardoso, José Vinícius M. Palomar, Daniel P. Department of Mathematics The Hong Kong University of Science and Technology Clear Water Bay Hong Kong Department of Electronic and Computer Engineering The Hong Kong University of Science and Technology Clear Water Bay Hong Kong Department of Electronic and Computer Engineering Department of Industrial Engineering and Data Analytics The Hong Kong University of Science and Technology Clear Water Bay Hong Kong

We consider the problem of learning a sparse graph under the Laplacian constrained Gaussian graphical models. This problem can be formulated as a penalized maximum likelihood estimation of the Laplacian constrained precision matrix. Like in the classical graphical lasso problem, recent works made use of the 1-norm regularization with the goal of promoting sparsity in Laplacian constrained precision matrix estimation. However, we find that the widely used 1-norm is not effective in imposing a sparse solution in this problem. Through empirical evidence, we observe that the number of nonzero graph weights grows with the increase of the regularization parameter. From a theoretical perspective, we prove that a large regularization parameter will surprisingly lead to a complete graph, i.e., every pair of vertices is connected by an edge. To address this issue, we introduce the nonconvex sparsity penalty, and propose a new estimator by solving a sequence of weighted 1-norm penalized sub-problems. We establish the non-asymptotic optimization performance guarantees on both optimization error and statistical error, and prove that the proposed estimator can recover the edges correctly with a high probability. To solve each sub-problem, we develop a projected gradient descent algorithm which enjoys a linear convergence rate. Finally, an extension to learn disconnected graphs is proposed by imposing additional rank constraint. We propose a numerical algorithm based on based on the alternating direction method of multipliers, and establish its theoretical sequence convergence. Numerical experiments involving synthetic and real-world data sets demonstrate the effectiveness of the proposed method. Copyright © 2020, The Authors. All rights reserved.

关键词： Graphic methods