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Random Forest Autoencoders for Guided Representation Learning

NeurIPS 2025 · Label-efficient and robust learning › Self-supervised and contrastive · approach: Invariance-based self-supervised learning · 0 citations (OpenAlex)

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Proposes Random Forest Autoencoders (RF-AE), an autoencoder that reconstructs RF-GAP proximities and is regularized toward RF-PHATE embeddings, to enable out-of-sample supervised visualization.

Problem

Supervised manifold visualization methods such as RF-PHATE lack an explicit mapping, so they cannot embed unseen data efficiently or scale to large datasets and label-scarce settings.

Approach

Replace the input of a regularized autoencoder with row-normalized, symmetrized RF-GAP proximity vectors, reconstruct them with a Jensen-Shannon divergence loss, and regularize the 2D bottleneck toward precomputed RF-PHATE embeddings; class-wise k-medoids prototype selection reduces input dimensionality.

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
add geometric regularization (lambda<1, toward RF-PHATE embedding) to RF-AE (ablation)RF-AE · 20 datasets (10 reps)Global SIA Spear: 0.701 at lambda=1 to 0.776 at lambda=0.01Helped
add geometric regularization (lambda<1) to RF-AE (ablation)RF-AE · 20 datasets (10 reps)k-NN accuracy: 0.837 at lambda=1 vs 0.831 at lambda=0.01Hurt
RF-AE with lambda=0.01 vs. default RF-PHATE linear kernel extensionRF-AE · 20 datasets (10 reps)k-NN accuracy: 0.831 vs 0.794Helped
RF-AE (lambda=0.01) vs. standard supervised baselines on SIA metricsRF-AE · 20 datasets (10 reps)Local SIA QNX: 0.800 vs CE 0.795 and NCA 0.808 (NCA ranks first)Mixed
lambda=0.001 vs lambda=0.01 in RF-AE (ablation)RF-AE · 20 datasets (10 reps)k-NN accuracy: 0.827 vs 0.831No clear effect

Surprising findings

Limitations

Experimental setup

Datasets: Sign MNIST (A-K) MNIST Fashion MNIST GTZAN (3-sec) USPS Blood MNIST OrganC MNIST Isolet Landsat Satellite Optical Digits HAR Cardiotocography

Benchmarks: 20 datasets from UCI, Kaggle, Zenodo

Metrics: k-NN accuracy structural importance alignment (Kendall tau) with QNX, Trus

Baselines: RF-PHATE kernel extension vanilla AE PCA supervised PCA parametric t-SNE parametric UMAP parametric supervised UMAP PaCMAP Centroid Encoders CEBRA SSNP NCA

Builds on: RF-PHATE RF-GAP GRAE PHATE parametric t-SNE

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