4 papers
LatentFlow: Visual Analytics for Latent Space Analysis in Molecular Graph Neural Networks
Shiyi Liu, Jiaqing Chen, Nicholas Hadler +6
Chemists and materials scientists increasingly use machine learning models, such as graph neural networks (GNNs), to predict properties of molecules and the outcomes of their react…
Landscaper: Understanding Loss Landscapes Through Multi-Dimensional Topological Analysis
Jiaqing Chen, Nicholas Hadler, Tiankai Xie +8
Loss landscapes are a powerful tool for understanding neural network optimization and generalization, yet traditional low-dimensional analyses often miss complex topological featur…
Visualizing Loss Functions as Topological Landscape Profiles
Caleb Geniesse, Jiaqing Chen, Tiankai Xie +7
In machine learning, a loss function measures the difference between model predictions and ground-truth (or target) values. For neural network models, visualizing how this loss cha…
Evaluating Loss Landscapes from a Topology Perspective
Tiankai Xie, Caleb Geniesse, Jiaqing Chen +5
Characterizing the loss of a neural network with respect to model parameters, i.e., the loss landscape, can provide valuable insights into properties of that model. Various methods…