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Minimal Variance Model Aggregation: A principled, non-intrusive, and versatile integration of black box models

ICLR 2025 · Learning theory and algorithms › Prediction and decision losses · approach: Provable post-hoc explanations · 0 citations (OpenAlex)

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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

Measured effects reported in the paper

What was changedWhereMeasuredEffect
aggregate the PDE solvers with MEVALaplace equation solver ensemble · Laplace equationGeometric mean of MSE (log10): -5.523 -> -6.282Helped
aggregate the PDE solvers with MEVABurger's equation solver ensemble · Burger's equationGeometric mean of MSE (log10): -2.568 -> -3.106Helped
aggregate the models with MEVA instead of using the best individual modelBoston housing model ensemble · Boston housingMSE relative improvement: 7%Helped
aggregate the models with MEVA instead of using the best overall modelBoston housing model ensemble · Boston housingMSE relative improvement: 2%Helped
use variance minimization rather than empirical error minimization (ablation)DNN aggregation · Boston housingMSEHelped
replace the log-error loss with direct MSE loss (ablation)FNO aggregation on Laplace equation · Laplace equationMSEHurt
use an empirical eigenbasis instead of the identity basis for error covariance (ablation)MEVA · PDE solver aggregationaccuracyNo clear effect
apply bias correction (ablation)MEVA · model aggregationperformanceNo clear effect
minimize empirical error directly rather than estimate model errors with MEVA (ablation)model aggregation · Pathological example: a dubious trendprediction errorHurt
use uniform averaging instead of covariance-informed aggregation100 GP-based PDE models · Laplace equationMSEHurt
use uniform averaging instead of MEVALaplace equation solver ensemble · Laplace equationMSEHurt
use MEVA instead of the meanLaplace equation solver ensemble · Laplace equationMSEHelped

Surprising findings

Limitations

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

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