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Volume Optimality in Conformal Prediction with Structured Prediction Sets
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Shows distribution-free volume optimality is impossible for conformal prediction, then proposes conformalized dynamic programming that finds near-optimal unions of k intervals with coverage and (conditional) restricted volume optimality guarantees.
Problem
Conformal prediction sets guarantee coverage but not volume (size); distribution-free volume optimality is impossible in general, so volume guarantees are needed within a structured family of prediction sets.
Approach
Restrict prediction sets to unions of k intervals (finite VC dimension), compute nested sets via a dynamic program on the empirical distribution, and use the depth of nested sets as a conformity score within split conformal (and distributional conformal) prediction to obtain restricted volume optimality.
Key results
- On the Gaussian mixture with 80% coverage, conformalized DP with k=3 gives volume 3.1438 versus 4.4775 for conformalized KDE, against an optimal volume of 3.0178.
- On the simulated Poisson-type regression dataset at 70% target coverage, conformalized DP with k=5 achieves average volume 0.45 versus 1.29 for DCP-QR* and 1.42 for CQR, with 72.36% empirical coverage.
- On the 20-dimensional bimodal simulation, conformalized DP with k=2 gives volume 3.55 versus 3.60 for HPD-split, at roughly 69% coverage.
Measured effects reported in the paper
| What was changed | Where | Measured | Effect |
|---|---|---|---|
| Use conformalized dynamic programming with k=5 intervals instead of DCP-QR* | Conformal prediction on simulated data (1D features) · Simulated data (1D features) | average volume: 1.29 -> 0.45 | Helped |
| Use conformalized dynamic programming with k=2 intervals instead of HPD-split | Conformal prediction on simulated data (20D features) · Simulated data (20D features) | average volume: 3.60 -> 3.55 | Helped |
| Use k=5 instead of k=1 intervals (ablation) | Conformalized-DP on simulated data (1D features) · Simulated data (1D features) | average volume: 1.14 -> 0.45 | Helped |
| Use k=5 instead of k=1 intervals (ablation) | Conformalized-DP on simulated data (1D features) · Simulated data (1D features) | empirical coverage (%): 74.04 -> 72.36 | Hurt |
| Use k=2 instead of k=1 intervals (ablation) | Conformalized-DP on simulated data (20D features) · Simulated data (20D features) | average volume: 4.00 -> 3.55 | Helped |
| Use k=2 instead of k=1 intervals (ablation) | Conformalized-DP on simulated data (20D features) · Simulated data (20D features) | empirical coverage (%): 68.98 -> 69.42 | Helped |
| Use conformalized DP instead of conformalized KDE with bandwidth rho=0.5 | Conformal prediction on the mixture of Gaussians · Mixture of Gaussians | volume: 4.4775 -> 3.1438 | Helped |
| Use k at least 3 for the three-component Gaussian mixture rather than fewer intervals (ablation) | Conformalized-DP on the mixture of Gaussians · Mixture of Gaussians | volume | Helped |
| Increase k from 1 to 2 on censored Gaussian data (ablation) | Conformalized-DP · Censored Gaussian | volume | Helped |
| Vary the number of intervals k when k is not smaller than the number of modes (ablation) | Conformalized-DP · Multimodal distributions | volume | No clear effect |
| Vary KDE bandwidth rho (ablation) | Conformalized-KDE · Gaussian and multimodal distributions | volume | Mixed |
Surprising findings
- Distribution-free volume optimality is impossible: any distribution-free method satisfying coverage can be forced to have volume at least OPT(P, 1-alpha+epsilon) for some P.
Limitations
- Volume optimality is restricted to unions of k intervals, and the impossibility result means unrestricted guarantees are not possible.
- Conditional guarantees require a reasonable black-box estimate of the conditional CDF with error bounds.
- Computational cost of the DP is O(n^3 k / gamma) for the unsupervised case and grows with grid size in the supervised case.
Experimental setup
Datasets: synthetic Gaussian mixture synthetic Gaussian censored Gaussian ReLU-transformed Gaussian simulated heteroscedastic Poisson regression dataset 20-dimensional bimodal simulated regression dataset
Benchmarks: synthetic Gaussian mixture censored Gaussian ReLU-transformed Gaussian simulated Poisson regression data 20-dimensional bimodal simulated regression
Metrics: average volume (Lebesgue measure of prediction set) empirical coverage
Baselines: conformalized KDE CQR DCP-QR DCP-QR* CD-split HPD-split standard split conformal
Builds on: distributional conformal prediction conformalized kernel density estimation conformalized quantile regression HPD-split
Closest papers by meaning
- On Volume Minimization in Conformal Regression (ICML 2025 · similarity 0.91)
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- Backward Conformal Prediction (NeurIPS 2025 · similarity 0.88)
- Non-exchangeable Conformal Prediction with Optimal Transport: Tackling Distribution Shift with Unlabeled Data (NeurIPS 2025 · similarity 0.88)
- Optimal transport-based conformal prediction (ICML 2025 · similarity 0.88)
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