Articles with "weighted ensemble" as a keyword



Quality over quantity: Sampling high probability rare events with the weighted ensemble algorithm

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Published in 2022 at "Journal of computational chemistry"

DOI: 10.1002/jcc.27054

Abstract: The prediction of (un)binding rates and free energies is of great significance to the drug design process. Although many enhanced sampling algorithms and approaches have been developed, there is not yet a reliable workflow to… read more here.

Keywords: weighted ensemble; high probability; quantity sampling; free energies ... See more keywords

Wepy: A Flexible Software Framework for Simulating Rare Events with Weighted Ensemble Resampling

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Published in 2020 at "ACS Omega"

DOI: 10.1021/acsomega.0c03892

Abstract: Here, we introduce the open-source software framework wepy (https://github.com/ADicksonLab/wepy) which is a toolkit for running and analyzing weighted ensemble (WE) simulations. The wepy toolkit is in pure Python and as such is highly portable and… read more here.

Keywords: wepy; software framework; simulating rare; weighted ensemble ... See more keywords

Lessons Learned from a Ligand-Unbinding Stress Test for Weighted Ensemble Simulations

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Published in 2025 at "ACS Omega"

DOI: 10.1021/acsomega.5c03809

Abstract: The weighted ensemble (WE) path sampling strategy has pushed the boundaries of molecular simulation by enabling the generation of rates and atomistic pathways for biological processes beyond the ms timescale. However, the WE strategy has… read more here.

Keywords: method; learned ligand; stress test; test ... See more keywords

Double weighted ensemble clustering for cancer subtypes analysis

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Published in 2022 at "IEEE Access"

DOI: 10.1109/access.2022.3167031

Abstract: The era of big data provides the possibility of precision medicine. The most important idea we have for cancer is to divide and treat. Theoretically, each person’s cancer should be different, so it is very… read more here.

Keywords: weighted ensemble; cancer; double weighted; analysis ... See more keywords

DME: An Adaptive and Just-in-Time Weighted Ensemble Learning Method for Classifying Block-Based Concept Drift Steam

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Published in 2022 at "IEEE Access"

DOI: 10.1109/access.2022.3222178

Abstract: This study proposes a novel incremental learning algorithm called distribution matching ensemble (DME) in context of adaptive weighted ensemble learning. In particular, DME estimates the distribution of each received data block by Gaussian mixture model… read more here.

Keywords: weighted ensemble; data block; ensemble learning; dme ... See more keywords

Locally Weighted Ensemble-Detection-Based Adaptive Random Forest Classifier for Sensor-Based Online Activity Recognition for Multiple Residents

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Published in 2022 at "IEEE Internet of Things Journal"

DOI: 10.1109/jiot.2021.3139330

Abstract: In recent years, various approaches for multiresident human activity recognition (HAR) in a smart indoor environment have been developed and improved along with the rapid development of sensors and AI technologies. Research in data stream-based… read more here.

Keywords: weighted ensemble; ensemble detection; detection based; activity recognition ... See more keywords

Implications and Identification of Specific Learning Disability Using Weighted Ensemble Learning Model.

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Published in 2024 at "Child: care, health and development"

DOI: 10.1111/cch.70026

Abstract: BACKGROUND Learning disabilities, categorized as neurodevelopmental disorders, profoundly impact the cognitive development of young children. These disabilities affect text comprehension, reading, writing and problem-solving abilities. Specific learning disabilities (SLDs), most notably dyslexia and dysgraphia, can… read more here.

Keywords: xgb model; specific learning; wel xgb; ensemble learning ... See more keywords

An adaptive weighted ensemble learning network for diabetic retinopathy classification

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Published in 2024 at "Journal of X-Ray Science and Technology"

DOI: 10.3233/xst-230252

Abstract: Diabetic retinopathy (DR) is one of the leading causes of blindness. However, because the data distribution of classes is not always balanced, it is challenging for automated early DR detection using deep learning techniques. In… read more here.

Keywords: adaptive weighted; ensemble learning; diabetic retinopathy; learning ... See more keywords

A Weighted Ensemble Learning Algorithm Based on Diversity Using a Novel Particle Swarm Optimization Approach

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Published in 2020 at "Algorithms"

DOI: 10.3390/a13100255

Abstract: In ensemble learning, accuracy and diversity are the main factors affecting its performance. In previous studies, diversity was regarded only as a regularization term, which does not sufficiently indicate that diversity should implicitly be treated… read more here.

Keywords: diversity; weighted ensemble; accuracy; particle swarm ... See more keywords

Divergence-Based Locally Weighted Ensemble Clustering with Dictionary Learning and L2,1-Norm

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Published in 2022 at "Entropy"

DOI: 10.3390/e24101324

Abstract: Accurate clustering is a challenging task with unlabeled data. Ensemble clustering aims to combine sets of base clusterings to obtain a better and more stable clustering and has shown its ability to improve clustering accuracy.… read more here.

Keywords: weighted ensemble; divergence based; based locally; ensemble clustering ... See more keywords

Predictive Churn Modeling for Sustainable Business in the Telecommunication Industry: Optimized Weighted Ensemble Machine Learning

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Published in 2023 at "Sustainability"

DOI: 10.3390/su15118631

Abstract: Customers are prominent resources in every business for its sustainability. Therefore, predicting customer churn is significant for reducing churn, particularly in the high-churn-rate telecommunications business. To identify customers at risk of churning, tactical marketing actions… read more here.

Keywords: weighted ensemble; business; machine learning; optimized weighted ... See more keywords