Accurate and efficient traffic speed prediction is crucial for improving road safety and efficiency. With the emerging deep ...

Identifying vulnerable code is crucial to software system security. With the rise of deep learning, graph neural networks (GNNs) have received much attention for detecting vulnerabilities. While many ...

CGSchNet, a fast machine-learned model, simulates proteins with high accuracy, enabling drug discovery and protein ...

Graph neural networks (GNNs) encounter significant computational challenges when handling large-scale graphs, which severely restricts their efficacy across diverse applications. To address this ...

Model for predicting molecular crystal properties is readily adaptable to specific tasks, even with limited data ...

Drug discovery has long been criticized for its slow, costly, and failure-prone nature. Traditional approaches, particularly ...

Probability and Statistics Group research at the School of Mathematical and Computer Sciences at Heriot-Watt University, Edinburgh.