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In drug discovery, mapping interactions between genes within cellular systems is a crucial early step. Such maps are not only foundational for understanding the molecular mechanisms underlying disease biology but also pivotal for…

The pathogenesis of cancer in human is still poorly understood. With the rapid development of high-throughput sequencing technologies, huge volumes of cancer genomics data have been generated. Deciphering those data poses great…

Genomics · Quantitative Biology 2016-04-06 Junhua Zhang , Shihua Zhang

We present a new experimental-computational technology of inferring network models that predict the response of cells to perturbations and that may be useful in the design of combinatorial therapy against cancer. The experiments are…

Drug discovery projects entail cycles of design, synthesis, and testing that yield a series of chemically related small molecules whose properties, such as binding affinity to a given target protein, are progressively tailored to a…

Machine Learning · Computer Science 2020-02-10 Paul Maragakis , Hunter Nisonoff , Brian Cole , David E. Shaw

Data collection in economically constrained countries often necessitates using approximate and biased measurements due to the low-cost of the sensors used. This leads to potentially invalid predictions and poor policies or decision making.…

Machine Learning · Computer Science 2019-12-02 Michael T. Smith , Joel Ssematimba , Mauricio A. Alvarez , Engineer Bainomugisha

Deep neural networks has been increasingly applied in fault diagnostics, where it uses historical data to capture systems behavior, bypassing the need for high-fidelity physical models. However, despite their competence in prediction tasks,…

Machine Learning · Computer Science 2025-09-24 Arman Mohammadi , Mattias Krysander , Daniel Jung , Erik Frisk

Identification of Alzheimer's Disease (AD)-related transcriptomic signatures from blood is important for early diagnosis of the disease. Deep learning techniques are potent classifiers for AD diagnosis, but most have been unable to identify…

Quantitative Methods · Quantitative Biology 2025-06-17 Yeojin Kim , Hyunju Lee

This article presents a novel method for causal discovery with generalized structural equation models suited for analyzing diverse types of outcomes, including discrete, continuous, and mixed data. Causal discovery often faces challenges…

Methodology · Statistics 2023-10-26 Minjie Wang , Xiaotong Shen , Wei Pan

Deep learning has been widely applied in neuroimaging, including predicting brain-phenotype relationships from magnetic resonance imaging (MRI) volumes. MRI data usually requires extensive preprocessing prior to modeling, but variation…

Machine Learning · Computer Science 2023-10-17 Xinhui Li , Alex Fedorov , Mrinal Mathur , Anees Abrol , Gregory Kiar , Sergey Plis , Vince Calhoun

Early detection and resolution of duplicate and conflicting requirements can significantly enhance project efficiency and overall software quality. Researchers have developed various computational predictors by leveraging Artificial…

Software Engineering · Computer Science 2024-12-03 Summra Saleem , Muhammad Nabeel Asim , Andreas Dengel

Machine learning models are routinely integrated into process mining pipelines to carry out tasks like data transformation, noise reduction, anomaly detection, classification, and prediction. Often, the design of such models is based on…

Machine Learning · Computer Science 2024-02-21 Paolo Ceravolo , Sylvio Barbon Junior , Ernesto Damiani , Wil van der Aalst

We present a machine learning pipeline for biomarker discovery in Multiple Sclerosis (MS), integrating eight publicly available microarray datasets from Peripheral Blood Mononuclear Cells (PBMC). After robust preprocessing we trained an…

Machine Learning · Computer Science 2025-09-29 Samuele Punzo , Silvia Giulia Galfrè , Francesco Massafra , Alessandro Maglione , Corrado Priami , Alina Sîrbu

The mutations of a complex systemic disease like cancer can be modeled as stuck-at faults in the Boolean system paradigm. For a class of multiple faults, the fault identification is exceptionally significant under the incomplete access of…

Systems and Control · Computer Science 2018-09-11 Anuj Deshpande , Ritwik Kumar Layek

Machine learning (ML) is a promising approach for predicting small molecule properties in drug discovery. Here, we provide a comprehensive overview of various ML methods introduced for this purpose in recent years. We review a wide range of…

Biomolecules · Quantitative Biology 2023-08-25 Nikolai Schapin , Maciej Majewski , Alejandro Varela , Carlos Arroniz , Gianni De Fabritiis

Automated Machine Learning (AutoML) is a promising direction for democratizing AI by automatically deploying Machine Learning systems with minimal human expertise. The core technical challenge behind AutoML is optimizing the pipelines of…

Machine Learning · Computer Science 2023-05-26 Sebastian Pineda Arango , Josif Grabocka

Sequential pattern mining algorithms are widely used to explore care pathways database, but they generate a deluge of patterns, mostly redundant or useless. Clinicians need tools to express complex mining queries in order to generate less…

Artificial Intelligence · Computer Science 2017-07-27 Thomas Guyet , André Happe , Yann Dauxais

In order to achieve state-of-the-art performance, modern machine learning techniques require careful data pre-processing and hyperparameter tuning. Moreover, given the ever increasing number of machine learning models being developed, model…

Machine Learning · Statistics 2018-05-03 Nicolo Fusi , Rishit Sheth , Huseyn Melih Elibol

While a large body of research has formally identified apolipoprotein E (APOE) as a major genetic risk marker for Alzheimer disease, accumulating evidence supports the notion that other risk markers may exist. The traditional…

Quantitative Methods · Quantitative Biology 2020-03-13 Ning An , Liuqi Jin , Huitong Ding , Jiaoyun Yang , Jing Yuan

Grain Boundaries govern many properties of polycrystalline materials, including the vast majority of engineering materials. Evolutionary algorithm can be applied to predict the grain boundary structures in different systems. However, the…

Materials Science · Physics 2017-10-04 Bingxi Li

Modeling network traffic is gaining importance in order to counter modern threats of ever increasing sophistication. It is though surprisingly difficult and costly to construct reliable classifiers on top of telemetry data due to the…

Cryptography and Security · Computer Science 2017-03-09 Tomas Pevny , Petr Somol