AIMC Topic: Computer Simulation

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Holistic in silico developability assessment of novel classes of small proteins using publicly available sequence-based predictors.

Journal of computer-aided molecular design Aug 20, 2024
The development of novel therapeutic proteins is a lengthy and costly process, with an average attrition rate of 91% (Thomas et al. Clinical Development Success Rates and Contributing Factors 2011-2020, 2021). To increase the probability of success a...
Machine Learning Algorithms Computer Simulation Drug Design Humans Drug Discovery Proteins
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Interplay between depth and width for interpolation in neural ODEs.

Neural networks : the official journal of the International Neural Network Society Aug 19, 2024
Neural ordinary differential equations have emerged as a natural tool for supervised learning from a control perspective, yet a complete understanding of the role played by their architecture remains elusive. In this work, we examine the interplay be...
Probability Neural Networks, Computer Algorithms Computer Simulation Supervised Machine Learning Humans
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Reduced order modelling of intracranial aneurysm flow using proper orthogonal decomposition and neural networks.

International journal for numerical methods in biomedical engineering Aug 18, 2024
Reduced order modelling (ROMs) methods, such as proper orthogonal decomposition (POD), systematically reduce the dimensionality of high-fidelity computational models and potentially achieve large gains in execution speed. Machine learning (ML) using ...
Machine Learning Computer Simulation Models, Cardiovascular Intracranial Aneurysm Humans Neural Networks, Computer
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Finite-time cluster synchronization of multi-weighted fractional-order coupled neural networks with and without impulsive effects.

Neural networks : the official journal of the International Neural Network Society Aug 17, 2024
In this paper, finite-time cluster synchronization (FTCS) of multi-weighted fractional-order neural networks is studied. Firstly, a FTCS criterion of the considered neural networks is obtained by designing a new delayed state feedback controller. Sec...
Algorithms Computer Simulation Neural Networks, Computer Nonlinear Dynamics Feedback Time Factors
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The combined Lyapunov functionals method for stability analysis of neutral Cohen-Grossberg neural networks with multiple delays.

Neural networks : the official journal of the International Neural Network Society Aug 16, 2024
This research article will employ the combined Lyapunov functionals method to deal with stability analysis of a more general type of Cohen-Grossberg neural networks which simultaneously involve constant time and neutral delay parameters. By utilizing...
Time Factors Algorithms Neural Networks, Computer Computer Simulation
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Don't Let Your Analysis Go to Seed: On the Impact of Random Seed on Machine Learning-based Causal Inference.

Epidemiology (Cambridge, Mass.) Aug 16, 2024
Machine learning techniques for causal effect estimation can enhance the reliability of epidemiologic analyses, reducing their dependence on correct model specifications. However, the stochastic nature of many machine learning algorithms implies that...
Algorithms Computer Simulation Humans Machine Learning Models, Statistical Epidemiologic Methods Reproducibility of Results Causality
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Generalized M-sparse algorithms for constructing fault tolerant RBF networks.

Neural networks : the official journal of the International Neural Network Society Aug 14, 2024
In the construction process of radial basis function (RBF) networks, two common crucial issues arise: the selection of RBF centers and the effective utilization of the given source without encountering the overfitting problem. Another important issue...
Computer Simulation Neural Networks, Computer Algorithms
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Machine learning-driven QSAR models for predicting the cytotoxicity of five common microplastics.

Toxicology Aug 11, 2024
In the field of microplastics (MPs) toxicity prediction, machine learning (ML) computer simulation techniques are showing great potential. In this study, six ML algorithms were utilized to predict the toxicity of MPs on BEAS-2B cells based on quantit...
Microplastics Quantitative Structure-Activity Relationship Water Pollutants, Chemical Cell Line Cell Survival Humans Particle Size Algorithms Machine Learning Computer Simulation
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An Online Nanoinformatics Platform Empowering Computational Modeling of Nanomaterials by Nanostructure Annotations and Machine Learning Toolkits.

Nano letters Aug 9, 2024
Modern nanotechnology has generated numerous datasets from and studies on nanomaterials, with some available on nanoinformatics portals. However, these existing databases lack the digital data and tools suitable for machine learning studies. Here, ...
Humans Nanostructures Machine Learning Nanotechnology Software Computer Simulation
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Joint computation offloading and resource allocation for end-edge collaboration in internet of vehicles via multi-agent reinforcement learning.

Neural networks : the official journal of the International Neural Network Society Aug 8, 2024
Vehicular edge computing (VEC), a promising paradigm for the development of emerging intelligent transportation systems, can provide lower service latency for vehicular applications. However, it is still a challenge to fulfill the requirements of suc...
Internet Reinforcement, Psychology Transportation Resource Allocation Computer Simulation Deep Learning Neural Networks, Computer Algorithms
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