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From GPUs to AI and quantum: three waves of acceleration in bioinformatics.

Drug discovery today
The enormous growth in the amount of data generated by the life sciences is continuously shifting the field from model-driven science towards data-driven science. The need for efficient processing has led to the adoption of massively parallel acceler...

A novel interactive deep cascade spectral graph convolutional network with multi-relational graphs for disease prediction.

Neural networks : the official journal of the International Neural Network Society
Graph neural networks (GNNs) have recently grown in popularity for disease prediction. Existing GNN-based methods primarily build the graph topological structure around a single modality and combine it with other modalities to acquire feature represe...

Molecular Docking Improved with Human Spatial Perception Using Virtual Reality.

IEEE transactions on visualization and computer graphics
Adaptive steered molecular dynamics (ASMD) is a computational biophysics method in which an external force is applied to a selected set of atoms or a specific reaction coordinate to induce a particular molecular motion. Virtual reality (VR) based met...

Learning dynamic graph representations through timespan view contrasts.

Neural networks : the official journal of the International Neural Network Society
The rich information underlying graphs has inspired further investigation of unsupervised graph representation. Existing studies mainly depend on node features and topological properties within static graphs to create self-supervised signals, neglect...

Graph Aggregating-Repelling Network: Do Not Trust All Neighbors in Heterophilic Graphs.

Neural networks : the official journal of the International Neural Network Society
Graph neural networks (GNNs) have demonstrated exceptional performance in processing various types of graph data, such as citation networks and social networks, etc. Although many of these GNNs prove their superiority in handling homophilic graphs, t...

Accurate prediction of drug combination risk levels based on relational graph convolutional network and multi-head attention.

Journal of translational medicine
BACKGROUND: Accurately identifying the risk level of drug combinations is of great significance in investigating the mechanisms of combination medication and adverse reactions. Most existing methods can only predict whether there is an interaction be...

TacPrint: Visualizing the Biomechanical Fingerprint in Table Tennis.

IEEE transactions on visualization and computer graphics
Table tennis is a sport that demands high levels of technical proficiency and body coordination from players. Biomechanical fingerprints can provide valuable insights into players' habitual movement patterns and characteristics, allowing them to iden...

Graph Artificial Intelligence in Medicine.

Annual review of biomedical data science
In clinical artificial intelligence (AI), graph representation learning, mainly through graph neural networks and graph transformer architectures, stands out for its capability to capture intricate relationships and structures within clinical dataset...