AIMC Topic: Neural Networks, Computer

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Invariant transformers of Robinson and Foulds distance matrices for Convolutional Neural Network.

Journal of bioinformatics and computational biology
The evolutionary histories of genes are susceptible of differing greatly from each other which could be explained by evolutionary variations in horizontal gene transfers or biological recombinations. A phylogenetic tree would therefore represent the ...

Molecule Design Using Molecular Generative Models Constrained by Ligand-Protein Interactions.

Journal of chemical information and modeling
In recent years, molecular deep generative models have attracted much attention for its application in drug design. The data-driven molecular deep generative model approximates the high dimensional distribution of the chemical space through learning...

Bidirectional Graphormer for Reactivity Understanding: Neural Network Trained to Reaction Atom-to-Atom Mapping Task.

Journal of chemical information and modeling
This work introduces , a new algorithm for reaction atom-to-atom mapping (AAM) based on a transformer neural network adopted for the direct processing of molecular graphs as sets of atoms and bonds, as opposed to SMILES/SELFIES sequence-based approac...

Employing Artificial Neural Networks to Identify Reaction Coordinates and Pathways for Self-Assembly.

The journal of physical chemistry. B
Capturing the autonomous self-assembly of molecular building blocks in computer simulations is a persistent challenge, requiring to model complex interactions and to access long time scales. Advanced sampling methods allow to bridge these time scales...

Study on TLS Point Cloud Registration Algorithm for Large-Scale Outdoor Weak Geometric Features.

Sensors (Basel, Switzerland)
With the development of societies, the exploitation of mountains and forests is increasing to meet the needs of tourism, mineral resources, and environmental protection. The point cloud registration, 3D modeling, and deformation monitoring that are i...

Deep learning in veterinary medicine, an approach based on CNN to detect pulmonary abnormalities from lateral thoracic radiographs in cats.

Scientific reports
Thoracic radiograph (TR) is a complementary exam widely used in small animal medicine which requires a sharp analysis to take full advantage of Radiographic Pulmonary Pattern (RPP). Although promising advances have been made in deep learning for vete...

A convolutional neural network based tool for predicting protein AMPylation sites from binary profile representation.

Scientific reports
AMPylation is an emerging post-translational modification that occurs on the hydroxyl group of threonine, serine, or tyrosine via a phosphodiester bond. AMPylators catalyze this process as covalent attachment of adenosine monophosphate to the amino a...

Recurrent neural network based high-precision position compensation control of magnetic levitation system.

Scientific reports
For improving the dynamic quality and steady-state performance, the hybrid controller based on recurrent neural network (RNN) is designed to implement the position control of the magnetic levitation ball system in this study. This hybrid controller c...

Neural mechanisms underlying the temporal organization of naturalistic animal behavior.

eLife
Naturalistic animal behavior exhibits a strikingly complex organization in the temporal domain, with variability arising from at least three sources: hierarchical, contextual, and stochastic. What neural mechanisms and computational principles underl...