3 accepted papers
Predicting molecular ground-state conformation (i.e., energy-minimized conformation) is crucial for many chemical applications such as molecular docking and property prediction. Classic energy-based simulation is time-consuming when solving this problem, while existing learning-based methods have a…
As a fundamental problem of graph analysis, graph visualization aims to embed a set of graphs in a low-dimensional (e.g., 2D) space and provide insights into their distribution and clustering structure. Focusing on this problem, we propose a novel Wasserstein t-distributed embedding (WatE) method,…
As an important sequential model, the temporal point process (TPP) plays a central role in real-world sequence modeling and analysis, whose learning is often based on the maximum likelihood estimation (MLE). However, due to imperfect observations, such as incomplete and sparse sequences that are com…