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Neuro-Visualizer: A Novel Auto-Encoder-Based Loss Landscape Visualization Method With an Application in Knowledge-Guided Machine Learning

ICML 2024 · Learning theory and algorithms › Prediction and decision losses · approach: Loss landscape analysis

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Proposes Neuro-Visualizer, an auto-encoder that learns a non-linear 2-D manifold through training trajectory models for loss landscape visualization, applied to CoPhy-PGNN and PINN case studies in knowledge-guided ML.

Problem

Linear loss-landscape visualizations (e.g., PCA) of training trajectories have low fidelity away from the final model and lack flexibility in scaling and shape, while other non-linear methods lack inverse transforms needed to compute loss on the grid.

Approach

Train an auto-encoder whose 2-D latent grid is decoded back to parameter space, so the loss can be evaluated at any grid point, with optional constraints (location anchoring, grid scaling loss) added as weighted loss terms to shape the manifold.

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
Use Neuro-Visualizer (auto-encoder manifold) instead of linear/non-linear baselines for landscape visualizationCoPhy-PGNN trajectory landscape · CoPhy-PGNN loss landscapeaverage relative physics loss error: 0.0095 vs 1.6782 (PCA), 4.7250 (Kernel-PCA), 0.4295 (UMAP)Helped
Use Neuro-Visualizer instead of PCA/Kernel-PCA/UMAP for projectionCoPhy-PGNN trajectory landscape · CoPhy-PGNN loss landscapeaverage projection error: 0.0005 vs 0.2832 (PCA), 0.0865 (Kernel-PCA), 0.2307 (UMAP)Helped

Surprising findings

Limitations

Experimental setup

Datasets: Schrodinger equation trajectories (CoPhy-PGNN) convection PDE PINN training trajectories

Benchmarks: Schrodinger equation (CoPhy-PGNN) convection PDE (PINN)

Metrics: average relative physics loss error average projection error

Baselines: PCA Kernel-PCA UMAP Equal Weights Constant Weights Dynamic Weight Averaging GradNorm Random Loss Weighting Learning Rate Annealing

Builds on: PCA loss landscape visualization (Li et al., 2018) physics-informed neural networks CoPhy-PGNN

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