SPECTRA improves molecular property regression on underrepresented targets via spectral graph generation with rarity-aware budgeting and Laplacian interpolation, paired with edge-aware Chebyshev GNNs, yielding competitive benchmark performance at lower compute cost.
Convolutional neural networks on graphs with fast localized spectral filtering
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SPECTRA: Spectral Domain-Aware Graph Generation for Imbalanced Molecular Property Regression
SPECTRA improves molecular property regression on underrepresented targets via spectral graph generation with rarity-aware budgeting and Laplacian interpolation, paired with edge-aware Chebyshev GNNs, yielding competitive benchmark performance at lower compute cost.