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Winner-takes-all learners are geometry-aware conditional density estimators

ICML 2024 · Probabilistic and scientific modeling › Variational and generative sampling · approach: Gradient estimation for discrete variables · 0 citations (OpenAlex)

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Proposes Voronoi-WTA, a conditional density estimator built from winner-takes-all hypotheses by placing truncated kernels inside their Voronoi cells, with theory on convergence and asymptotic quantization and experiments on synthetic, UCI and audio data.

Problem

Winner-takes-all (WTA) learners predict discrete sets of hypotheses for ambiguous tasks, but it is unclear how to use them for probabilistic conditional density estimation and uncertainty quantification (e.g., NLL) that captures intra-cell density variation.

Approach

Use the WTA hypotheses' Voronoi tessellation as an adaptive grid: place kernels truncated to each Voronoi cell, weighted by the predicted cell scores, yielding a density estimator that preserves the centroidal and cell-scoring properties and converges to the true conditional distribution as K grows, without changing WTA training.

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
Use V-WTA instead of Deep EnsemblesUCI regression density estimation · BostonNLL: 2.41 $\pm$ 0.25 -> 2.48 $\pm$ 0.19Hurt
Use V-WTA instead of Deep EnsemblesUCI regression density estimation · ConcreteNLL: 3.06 $\pm$ 0.18 -> 3.08 $\pm$ 0.12Hurt
Use V-WTA instead of MDNUCI regression density estimation · EnergyNLL: 1.25 $\pm$ 0.25 -> 2.22 $\pm$ 1.20Hurt
Use V-WTA instead of Deep EnsemblesUCI regression density estimation · Kin8nmNLL: -1.20 $\pm$ 0.02 -> -0.85 $\pm$ 0.05Hurt
Use V-WTA instead of Deep EnsemblesUCI regression density estimation · NavalNLL: -5.63 $\pm$ 0.05 -> -3.52 $\pm$ 0.38Hurt
Use V-WTA instead of Deep EnsemblesUCI regression density estimation · PowerNLL: 2.79 $\pm$ 0.04 -> 2.85 $\pm$ 0.06Hurt
Use V-WTA instead of K-WTAUCI regression density estimation · ProteinNLL: 2.39 $\pm$ 0.03 -> 2.42 $\pm$ 0.04Hurt
Use V-WTA instead of MDNUCI regression density estimation · WineNLL: -1.53 $\pm$ 0.76 -> 0.37 $\pm$ 0.17Hurt
Use V-WTA instead of Deep EnsemblesUCI regression density estimation · YachtNLL: 1.18 $\pm$ 0.21 -> 2.05 $\pm$ 0.46Hurt
Use V-WTA instead of K-WTAUCI regression density estimation · YearNLL: 3.26 $\pm$ NA -> 3.29 $\pm$ NAHurt
Replace K-WTA with V-WTAWTA density estimation · ANSYN (K=16, h=0.3)NLL: 1.24 -> 1.18Helped
Replace K-WTA with V-WTAWTA density estimation · ANSYN (K=16, h=0.5)NLL: 1.51 -> 1.24Helped

Surprising findings

Limitations

Experimental setup

Datasets: Single Gaussian (synthetic) Rotated Two Moons (synthetic) Changing Damier (synthetic) Uniform to Gaussians (synthetic) UCI regression benchmarks ANSYN

Benchmarks: UCI regression benchmarks ANSYN

Metrics: negative log-likelihood earth mover's distance quantization error

Baselines: Mixture Density Networks Histogram Kernel-WTA Deep Ensembles Dirac mixture WTA

Builds on: winner-takes-all training multiple choice learning mixture density networks compactified Voronoi density estimator

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