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Designing a neural network architecture for molecular representation is crucial for AI-driven drug discovery and molecule design. In this work, we propose a new framework for molecular representation learning. Our contribution is threefold:…

Machine Learning · Computer Science 2022-10-18 Jiye Kim , Seungbeom Lee , Dongwoo Kim , Sungsoo Ahn , Jaesik Park

In this study, we introduce the application of causal disparity analysis to unveil intricate relationships and causal pathways between sensitive attributes and the targeted outcomes within real-world observational data. Our methodology…

Computers and Society · Computer Science 2024-08-08 Farnaz Kohankhaki , Shaina Raza , Oluwanifemi Bamgbose , Deval Pandya , Elham Dolatabadi

With the demand for machine learning increasing, so does the demand for tools which make it easier to use. Automated machine learning (AutoML) tools have been developed to address this need, such as the Tree-Based Pipeline Optimization Tool…

Neural and Evolutionary Computing · Computer Science 2018-03-13 Pieter Gijsbers , Joaquin Vanschoren , Randal S. Olson

The path signature is a means of feature generation that can encode nonlinear interactions in the data as well as the usual linear features. It can distinguish the ordering of time-sequenced changes: for example whether or not the…

Quantitative Methods · Quantitative Biology 2020-07-01 P. J. Moore , J. Gallacher , T. J. Lyons

Effective therapy of complex diseases requires control of highly non-linear complex networks that remain incompletely characterized. In particular, drug intervention can be seen as control of signaling in cellular networks. Identification…

Quantitative Methods · Quantitative Biology 2009-09-03 Jacob D. Feala , Jorge Cortes , Phillip M. Duxbury , Carlo Piermarocchi , Andrew D. McCulloch , Giovanni Paternostro

In the genomic era, the identification of gene signatures associated with disease is of significant interest. Such signatures are often used to predict clinical outcomes in new patients and aid clinical decision-making. However, recent…

Methodology · Statistics 2019-03-27 Naim U. Rashid , Quefeng Li , Jen Jen Yeh , Joseph G. Ibrahim

The paper presents a novel approach, based on deep learning, for diagnosis of Parkinson's disease through medical imaging. The approach includes analysis and use of the knowledge extracted by Deep Convolutional and Recurrent Neural Networks…

Machine Learning · Computer Science 2019-11-26 James Wingate , Ilianna Kollia , Luc Bidaut , Stefanos Kollias

In this study, we executed a genomic analysis with the objective of selecting a set of genes (possibly small) that would help in the detection and classification of samples from patients affected by Parkinson Disease. We performed a…

Machine Learning · Computer Science 2016-02-24 Giancarlo Crocetti , Michael Coakley , Phil Dressner , Wanda Kellum , Tamba Lamin

In the field of Alzheimer's disease diagnosis, segmentation and classification tasks are inherently interconnected. Sharing knowledge between models for these tasks can significantly improve training efficiency, particularly when training…

Image and Video Processing · Electrical Eng. & Systems 2024-09-13 Ke Chen , Yifeng Wang , Yufei Zhou , Haohan Wang

Background: Although Alzheimer's disease (AD) is a central nervous system disease and type 2 diabetes mellitus (T2DM) is a metabolic disorder, an increasing number of genetic epidemiological studies show clear link between AD and T2DM. The…

Molecular Networks · Quantitative Biology 2019-01-18 Zixin Hu , Rong Jiao , Jiucun Wang , Panpan Wang , Yun Zhu , Jinying Zhao , Phil De Jager , David A Bennett , Li Jin , Momiao Xiong

Pathway enrichment analysis has become a key tool for biomedical researchers to gain insight into the underlying biology of differentially expressed genes, proteins and metabolites. It reduces complexity and provides a system-level view of…

Methodology · Statistics 2016-06-24 Jing Ma , Ali Shojaie , George Michailidis

Ecologists have long suspected that species are more likely to interact if their traits match in a particular way. For example, a pollination interaction may be more likely if the proportions of a bee's tongue fit a plant's flower shape.…

Populations and Evolution · Quantitative Biology 2019-11-05 Maximilian Pichler , Virginie Boreux , Alexandra-Maria Klein , Matthias Schleuning , Florian Hartig

Machine learning (ML) can be used to construct surrogate models for the fast prediction of a property of interest. ML can thus be applied to chemical projects, where the usual experimentation or calculation techniques can take hours or days…

One of the most catastrophic neurological disorders worldwide is Parkinson's Disease. Along with it, the treatment is complicated and abundantly expensive. The only effective action to control the progression is diagnosing it in the early…

Machine Learning · Computer Science 2023-10-23 Md. Taufiqul Haque Khan Tusar , Md. Touhidul Islam , Abul Hasnat Sakil

Modeling biological networks serves as both a major goal and an effective tool of systems biology in studying mechanisms that orchestrate the activities of gene products in cells. Biological networks are context specific and dynamic in…

Molecular Networks · Quantitative Biology 2014-02-20 Ye Tian , Bai Zhang , Eric P. Hoffman , Robert Clarke , Zhen Zhang , Ie-Ming Shih , Jianhua Xuan , David M. Herrington , Yue Wang

We devise a machine learning technique to solve the general problem of inferring network links that have time-delays. The goal is to do this purely from time-series data of the network nodal states. This task has applications in fields…

Adaptation and Self-Organizing Systems · Physics 2021-07-28 Amitava Banerjee , Joseph D. Hart , Rajarshi Roy , Edward Ott

NLP-based computer vision models, particularly vision transformers, have been shown to outperform CNN models in many imaging tasks. However, most digital pathology artificial-intelligence models are based on CNN architectures, probably…

Computation and Language · Computer Science 2023-02-22 Min Cen , Xingyu Li , Bangwei Guo , Jitendra Jonnagaddala , Hong Zhang , Xu Steven Xu

Personalizing drug prescriptions in cancer care based on genomic information requires associating genomic markers with treatment effects. This is an unsolved challenge requiring genomic patient data in yet unavailable volumes as well as…

Predictive modeling based on genomic data has gained popularity in biomedical research and clinical practice by allowing researchers and clinicians to identify biomarkers and tailor treatment decisions more efficiently. Analysis…

Machine Learning · Statistics 2021-02-02 Li Zeng , Zhaolong Yu , Yiliang Zhang , Hongyu Zhao

We address the problem of supporting radiologists in the longitudinal management of lung cancer. Therefore, we proposed a deep learning pipeline, composed of four stages that completely automatized from the detection of nodules to the…

Image and Video Processing · Electrical Eng. & Systems 2021-03-29 Xavier Rafael-Palou , Anton Aubanell , Mario Ceresa , Vicent Ribas , Gemma Piella , Miguel A. González Ballester