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Minimal Variance Model Aggregation: A principled, non-intrusive, and versatile integration of black box models
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Proposes Minimal Empirical Variance Aggregation (MEVA), a non-intrusive pointwise linear aggregation of black-box models that learns softmax weights by regressing log-error variances, and proves it converges faster than minimal error aggregation (MEEA).
Problem
Combining predictions from heterogeneous black-box models (ML methods and numerical PDE solvers) for the same quantity of interest, where direct empirical error minimization (MEEA) can fail or generalize poorly in scarce-data regimes.
Approach
Model the aggregation as a best linear unbiased estimate: assume each model is unbiased with error covariance A(x), so weights are the normalized inverse-covariance (softmax of negative log-variances), and learn the log-variance regressors from squared residuals on held-out data, rather than interpolating targets directly.
Key results
- On Boston housing, MEVA with kernel improves on the best aggregated model (Gradient Boosting) by 7% in MSE and the best overall model by 2%.
- On the Laplace equation, the aggregate reaches geometric mean MSE of 10^-6.282 versus 10^-5.523 for the best solver (FDM), roughly one order of magnitude better.
- On Burgers equation, the aggregate reaches geometric mean MSE of 10^-3.106 versus 10^-2.734 for the best solver (Riemann).
Measured effects reported in the paper
| What was changed | Where | Measured | Effect |
|---|---|---|---|
| aggregate the PDE solvers with MEVA | Laplace equation solver ensemble · Laplace equation | Geometric mean of MSE (log10): -5.523 -> -6.282 | Helped |
| aggregate the PDE solvers with MEVA | Burger's equation solver ensemble · Burger's equation | Geometric mean of MSE (log10): -2.568 -> -3.106 | Helped |
| aggregate the models with MEVA instead of using the best individual model | Boston housing model ensemble · Boston housing | MSE relative improvement: 7% | Helped |
| aggregate the models with MEVA instead of using the best overall model | Boston housing model ensemble · Boston housing | MSE relative improvement: 2% | Helped |
| use variance minimization rather than empirical error minimization (ablation) | DNN aggregation · Boston housing | MSE | Helped |
| replace the log-error loss with direct MSE loss (ablation) | FNO aggregation on Laplace equation · Laplace equation | MSE | Hurt |
| use an empirical eigenbasis instead of the identity basis for error covariance (ablation) | MEVA · PDE solver aggregation | accuracy | No clear effect |
| apply bias correction (ablation) | MEVA · model aggregation | performance | No clear effect |
| minimize empirical error directly rather than estimate model errors with MEVA (ablation) | model aggregation · Pathological example: a dubious trend | prediction error | Hurt |
| use uniform averaging instead of covariance-informed aggregation | 100 GP-based PDE models · Laplace equation | MSE | Hurt |
| use uniform averaging instead of MEVA | Laplace equation solver ensemble · Laplace equation | MSE | Hurt |
| use MEVA instead of the mean | Laplace equation solver ensemble · Laplace equation | MSE | Helped |
Surprising findings
- Directly training an FNO aggregator with MSE loss collapses to selecting the single best model (alpha approx (1,0,...,0)) instead of combining models.
- On the Boston housing sanity check, the simple mean performs well, and MEEA with a DNN performs worse than the two best individual models aggregated.
Limitations
- Requires held-out unseen data to estimate model errors, reducing training data for models when data is scarce.
- No guarantee the aggregate outperforms the individual models or simple averaging in challenging tasks, at higher computational cost.
- Theory assumes models are unbiased estimators of the target; biased-model extension not found beneficial in practice.
Experimental setup
Datasets: Boston housing Laplace equation synthetic PDE solutions Burgers equation synthetic solutions
Benchmarks: Boston housing Laplace equation Burgers equation
Metrics: MSE geometric mean of MSE (log10) relative improvement r
Baselines: MEEA Gradient Boosting uniform averaging Fourier Neural Operator with direct MSE aggregation individual numerical solvers (FDM, spectral, GP, TVD, Riemann)
Builds on: Mixture of Experts Best linear unbiased estimator Fourier Neural Operator Gradient Boosting nested kriging
Closest papers by meaning
- The Bias-Variance Tradeoff in Data-Driven Optimization: A Local Misspecification Perspective (NeurIPS 2025 · similarity 0.84)
- Tilted Empirical Risk Minimization (ICLR 2021 · similarity 0.84)
- Conformal Prediction for Ensembles: Improving Efficiency via Score-Based Aggregation (NeurIPS 2025 · similarity 0.84)
- Learning Latent Variable Models via Jarzynski-adjusted Langevin Algorithm (NeurIPS 2025 · similarity 0.83)
- Robust Distributed Gradient Aggregation Using Projections onto Gradient Manifolds (AAAI 2024 · similarity 0.83)
- Data Mixture Optimization: A Multi-fidelity Multi-scale Bayesian Framework (NeurIPS 2025 · similarity 0.83)
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