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Computer Simulation

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In silico assessments of the small molecular boron agents to pave the way for artificial intelligence-based boron neutron capture therapy.

European journal of medicinal chemistry
Boron neutron capture therapy (BNCT) is a highly targeted, selective and effective technique to cure various types of cancers, with less harm to the healthy cells. In principle, BNCT treatment needs to distribute the boron (B) atoms inside the tumor ...

Sampled-data synchronization for fuzzy inertial cellular neural networks and its application in secure communication.

Neural networks : the official journal of the International Neural Network Society
This paper designs the sampled-data control (SDC) scheme to delve into the synchronization problem of fuzzy inertial cellular neural networks (FICNNs). Technically, the rate at which the information or activation of cellular neuronal transmission mad...

Pretrainable geometric graph neural network for antibody affinity maturation.

Nature communications
Increasing the binding affinity of an antibody to its target antigen is a crucial task in antibody therapeutics development. This paper presents a pretrainable geometric graph neural network, GearBind, and explores its potential in in silico affinity...

Using recurrent neural network to estimate irreducible stochasticity in human choice behavior.

eLife
Theoretical computational models are widely used to describe latent cognitive processes. However, these models do not equally explain data across participants, with some individuals showing a bigger predictive gap than others. In the current study, w...

GFANC-RL: Reinforcement Learning-based Generative Fixed-filter Active Noise Control.

Neural networks : the official journal of the International Neural Network Society
The recent Generative Fixed-filter Active Noise Control (GFANC) method achieves a good trade-off between noise reduction performance and system stability. However, labelling noise data for training the Convolutional Neural Network (CNN) in GFANC is t...

Complete synchronization of discrete-time fractional-order BAM neural networks with leakage and discrete delays.

Neural networks : the official journal of the International Neural Network Society
This paper concerns complete synchronization (CS) problem of discrete-time fractional-order BAM neural networks (BAMNNs) with leakage and discrete delays. Firstly, on the basis of Caputo fractional difference theory and nabla l-Laplace transform, two...

A Physics-Informed Neural Network approach for compartmental epidemiological models.

PLoS computational biology
Compartmental models provide simple and efficient tools to analyze the relevant transmission processes during an outbreak, to produce short-term forecasts or transmission scenarios, and to assess the impact of vaccination campaigns. However, their ca...

Mathematical modeling and numerical simulation of supercritical processing of drug nanoparticles optimization for green processing: AI analysis.

PloS one
In recent decades, unfavorable solubility of novel therapeutic agents is considered as an important challenge in pharmaceutical industry. Supercritical carbon dioxide (SCCO2) is known as a green, cost-effective, high-performance, and promising solven...

Time-optimal open-loop set stabilization of Boolean control networks.

Neural networks : the official journal of the International Neural Network Society
We show that for stabilization of Boolean control networks (BCNs) with unobservable initial states, open-loop control and close-loop control are not equivalent. An example is given to illustrate the nonequivalence. Enlightened by the nonequivalence, ...

State transition learning with limited data for safe control of switched nonlinear systems.

Neural networks : the official journal of the International Neural Network Society
Switching dynamics are prevalent in real-world systems, arising from either intrinsic changes or responses to external influences, which can be appropriately modeled by switched systems. Control synthesis for switched systems, especially integrating ...