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Computer Simulation

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Predicting blood-brain barrier permeability of molecules with a large language model and machine learning.

Scientific reports
Predicting the blood-brain barrier (BBB) permeability of small-molecule compounds using a novel artificial intelligence platform is necessary for drug discovery. Machine learning and a large language model on artificial intelligence (AI) tools improv...

On the analysis and control of a bipedal legged locomotion model via partial feedback linearization.

Bioinspiration & biomimetics
In this study, we introduce a new model for bipedal locomotion that enhances the classical spring-loaded inverted pendulum (SLIP) model. Our proposed model incorporates a damping term in the leg spring, a linear actuator serially interconnected to th...

Gradient-based optimization for quantum architecture search.

Neural networks : the official journal of the International Neural Network Society
Quantum Architecture Search (QAS) has shown significant promise in designing quantum circuits for Variational Quantum Algorithms (VQAs). However, existing QAS algorithms primarily explore circuit architectures within a discrete space, which is inhere...

Unsupervised stochastic learning and reduced order modeling for global sensitivity analysis in cardiac electrophysiology models.

Computer methods and programs in biomedicine
BACKGROUND AND OBJECTIVE: Numerical simulations in electrocardiology are often affected by various uncertainties inherited from the lack of precise knowledge regarding input values including those related to the cardiac cell model, domain geometry, a...

Efficient and scalable prediction of stochastic reaction-diffusion processes using graph neural networks.

Mathematical biosciences
The dynamics of locally interacting particles that are distributed in space give rise to a multitude of complex behaviours. However the simulation of reaction-diffusion processes which model such systems is highly computationally expensive, the cost ...

A Human-Machine Agent Based on Active Reinforcement Learning for Target Classification in Wargame.

IEEE transactions on neural networks and learning systems
To meet the requirements of high accuracy and low cost of target classification in modern warfare, and lay the foundation for target threat assessment, the article proposes a human-machine agent for target classification based on active reinforcement...

Research on control strategy of pneumatic soft bionic robot based on improved CPG.

PloS one
To achieve the accuracy and anti-interference of the motion control of the soft robot more effectively, the motion control strategy of the pneumatic soft bionic robot based on the improved Central Pattern Generator (CPG) is proposed. According to the...

A computationally efficient and robust looming perception model based on dynamic neural field.

Neural networks : the official journal of the International Neural Network Society
There are primarily two classes of bio-inspired looming perception visual systems. The first class employs hierarchical neural networks inspired by well-acknowledged anatomical pathways responsible for looming perception, and the second maps nonlinea...

Mittag-Leffler stability and application of delayed fractional-order competitive neural networks.

Neural networks : the official journal of the International Neural Network Society
In the article, the Mittag-Leffler stability and application of delayed fractional-order competitive neural networks (FOCNNs) are developed. By virtue of the operator pair, the conditions of the coexistence of equilibrium points (EPs) are discussed a...

Revealing Comprehensive Food Functionalities and Mechanisms of Action through Machine Learning.

Journal of chemical information and modeling
Foods possess a range of unexplored functionalities; however, fully identifying these functions through empirical means presents significant challenges. In this study, we have proposed an approach to comprehensively predict the functionalities of fo...