Research map / Probabilistic and scientific modeling / Variational and generative sampling
PQMass: Probabilistic Assessment of the Quality of Generative Models using Probability Mass Estimation
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Proposes PQMass, a likelihood-free two-sample test that bins samples from two distributions into Voronoi cells and applies a Pearson chi-squared test to assess generative model quality (fidelity, diversity, novelty).
Problem
Evaluating generative models requires rigorous, scalable metrics for fidelity, diversity, and novelty; likelihood-based metrics are noisy and sample-based metrics like FID/FLD either miss novelty or need feature extraction to work in high dimensions.
Approach
Partition the sample space into Voronoi cells defined by random reference points drawn from both sample sets, count points per cell, and compare the two count vectors with a Pearson chi-squared test giving a p-value; no density assumptions, no auxiliary model training, and works directly in pixel space.
Key results
- On ImageNet with added Gaussian noise, PQMass chi-squared rises from ~96 (no noise) to ~4495 (variance 1.00), while FLD is nearly flat from 9.29 to ~42.5 and less sensitive in the low-noise regime.
- In the small-mode CIFAR-10 experiment, PQMass detects a truck mode at alpha=0.01 with a chi-squared value of 100.60 vs 100.41 baseline, whereas FLD stays near -4 throughout.
- On the 2D Gaussian mixture sampling benchmark, PQMass ranks MCMC (1621) worse than FAB (678) and GGNS (109), in agreement with RBF MMD and JSD.
Measured effects reported in the paper
| What was changed | Where | Measured | Effect |
|---|---|---|---|
| Replace FAB or GGNS with MCMC sampling | Sampling algorithms · Gaussian mixture model (D=2) | χ²_PQM: 109.32 ± 12.36 -> 1621.06 ± 82.40 | Hurt |
| Replace FAB with GGNS sampling | Sampling algorithms · Funnel (D=10) | χ²_PQM: 96.69 ± 13.52 -> 472.99 ± 18.00 | Hurt |
| Add Gaussian noise to ImageNet samples | PQMass · ImageNet train vs test | χ²_PQM Avg: 95.55 -> 4495.07 | Hurt |
| Add a new class mode as α increases | PQMass · CIFAR-10 small mode detection | PQMass statistic: 100.41 -> 778.88 | Hurt |
| Use n_R=50 or n_R=200 instead of n_R=100 (ablation) | PQMass · CIFAR-10 generative models | χ²_PQM | No clear effect |
| Use L1 instead of L2 distance (ablation) | PQMass · CIFAR-10 generative models | χ²_PQM | No clear effect |
| Use InceptionV3 features instead of pixel space (ablation) | PQMass · CIFAR-10 generative models | χ²_PQM | No clear effect |
| Drop modes from the generated distribution | PQMass · Gaussian mixture model | χ²_PQM | Hurt |
| Train on MNIST with more classes omitted | PQMass · MNIST mode coverage | χ²_PQM | Hurt |
| Compare high-PTM sequences with low-PTM sequences | PQMass · ESM Metagenomic Atlas | χ²_PQM | Hurt |
Surprising findings
- FLD returns negative values on null tests (e.g., -21.72 for Probes ground truth vs ground truth), indicating instability for high-dimensional data.
- FID and FLD give contradictory out-of-distribution verdicts on JWST samples, while PQMass gives a consistent result.
Limitations
- Requires many i.i.d. samples; statistics are noisy with few samples.
- Results depend on the chosen distance metric, which is hard to define for modalities such as natural language.
- Sensitivity is limited in the extremes of number of regions (n_R=1 or n_R near number of samples); a fixed tessellation may fail to discriminate, so repeated random tessellations are needed.
Experimental setup
Datasets: MNIST CIFAR-10 ImageNet FFHQ256 Probes JWST darks SKIRT TNG Adult Census ESM Metagenomic Atlas
Benchmarks: CIFAR-10 human error rate MNIST mode dropping ImageNet Gaussian noise detection Neal's funnel 2D Gaussian mixture sampling Probes/JWST/SKIRT TNG astrophysics
Metrics: chi-squared PQMass statistic p-value FID FLD Wasserstein-2 RBF MMD Jensen-Shannon divergence authenticity score
Baselines: FID FLD Wasserstein distance (W2) RBF MMD Jensen-Shannon divergence authenticity score
Builds on: Tests of Accuracy with Random Points (TARP) Feature Likelihood Divergence Fréchet Inception Distance
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