AIMC Topic: Computer Simulation

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Artificial neural network analysis for predicting human percutaneous absorption taking account of vehicle properties.

The Journal of toxicological sciences
An in silico method for predicting percutaneous absorption of cosmetic ingredients was developed by using artificial neural network (ANN) analysis to predict the human skin permeability coefficient (log Kp), taking account of the physicochemical prop...

In silico risk assessment for skin sensitization using artificial neural network analysis.

The Journal of toxicological sciences
The sensitizing potential of chemicals is usually identified and characterized using in vivo methods such as the murine local lymph node assay (LLNA). Due to regulatory constraints and ethical concerns, alternatives to animal testing are needed to pr...

Machine learning of single molecule free energy surfaces and the impact of chemistry and environment upon structure and dynamics.

The Journal of chemical physics
The conformational states explored by polymers and proteins can be controlled by environmental conditions (e.g., temperature, pressure, and solvent) and molecular chemistry (e.g., molecular weight and side chain identity). We introduce an approach em...

The relative efficiency of modular and non-modular networks of different size.

Proceedings. Biological sciences
Most biological networks are modular but previous work with small model networks has indicated that modularity does not necessarily lead to increased functional efficiency. Most biological networks are large, however, and here we examine the relative...

Synchronization, non-linear dynamics and low-frequency fluctuations: analogy between spontaneous brain activity and networked single-transistor chaotic oscillators.

Chaos (Woodbury, N.Y.)
In this paper, the topographical relationship between functional connectivity (intended as inter-regional synchronization), spectral and non-linear dynamical properties across cortical areas of the healthy human brain is considered. Based upon functi...

Relational Learning and Network Modelling Using Infinite Latent Attribute Models.

IEEE transactions on pattern analysis and machine intelligence
Latent variable models for network data extract a summary of the relational structure underlying an observed network. The simplest possible models subdivide nodes of the network into clusters; the probability of a link between any two nodes then depe...

Non-divergence of stochastic discrete time algorithms for PCA neural networks.

IEEE transactions on neural networks and learning systems
Learning algorithms play an important role in the practical application of neural networks based on principal component analysis, often determining the success, or otherwise, of these applications. These algorithms cannot be divergent, but it is very...

Delay-based reservoir computing: noise effects in a combined analog and digital implementation.

IEEE transactions on neural networks and learning systems
Reservoir computing is a paradigm in machine learning whose processing capabilities rely on the dynamical behavior of recurrent neural networks. We present a mixed analog and digital implementation of this concept with a nonlinear analog electronic c...

Multistep prediction of physiological tremor based on machine learning for robotics assisted microsurgery.

IEEE transactions on cybernetics
For effective tremor compensation in robotics assisted hand-held device, accurate filtering of tremulous motion is necessary. The time-varying unknown phase delay that arises due to both software (filtering) and hardware (sensors) in these robotics i...