Generalized Matheron Variational Implicit Processes
Organizations: Aalborg University
Abstract
Implicit-process priors specify distributions over functions through sample-forward mechanisms such as Bayesian neural networks and stochastic simulators, but their function-space densities are typically unavailable. We introduce Generalized Matheron Variational Implicit Processes (GMVIP), a pathwise variational family for posterior inference with such priors. For Gaussian-process priors, GMVIP recovers the standard inducing-variable variational GP construction; for general implicit priors, its empirical covariance construction preserves the prior mean and covariance in the population limit. GMVIP constructs posterior samples by drawing a function from the prior and applying a correction anchored at a set of inducing inputs. The effect of this correction away from the inducing inputs is determined directly from prior samples, allowing the posterior to retain the structure and variability of the original implicit process. The (surrogate) prior and variational posterior use the same pathwise construction and differ only in the distribution of whitened inducing coefficients, yielding a tractable coefficient-space Kullback-Leibler divergence. Experiments on regression, classification, and forecasting with simulator-defined and retrieval-conditioned empirical trajectory priors show that GMVIP is broadly competitive with existing methods.
Figures & tables
| RMSE | Boston | Concrete | Energy | Kin8nm | Naval ( ) | Power | Protein | Wine Red | Yacht |
|---|---|---|---|---|---|---|---|---|---|
| MAP | |||||||||
| MFVI | {\color[rgb]{0,0.5,0.5}\mathbf{0.62\pm 0.03}} | ||||||||
| VIP | {\color[rgb]{0.75,0,0.25}\mathbf{3.76\pm 0.07}} | ||||||||
| FBNN | {\color[rgb]{0,0.5,0.5}\mathbf{5.21\pm 0.52}} | {\color[rgb]{0,0.5,0.5}\mathbf{0.51\pm 0.05}} | {\color[rgb]{0.75,0,0.25}\mathbf{0.23\pm 0.06}} | ||||||
| SIP | {\color[rgb]{0.75,0,0.25}\mathbf{3.22\pm 0.99}} | {\color[rgb]{0,0.5,0.5}\mathbf{0.071\pm 0.001}} | {\color[rgb]{0,0.5,0.5}\mathbf{1.48\pm 0.23}} | ||||||
| TFSVI |
| Method | RMSE | NLL | CRPS | Cov 90 | ODE residual |
|---|---|---|---|---|---|
| Prior predictive | {\color[rgb]{0,0.5,0.5}\mathbf{0.90\pm 0.11}} | {\color[rgb]{0.75,0,0.25}\mathbf{0.90\pm 0.03}} | {\color[rgb]{0.75,0,0.25}\mathbf{\approx 10^{-6}}} | ||
| GMVIP sur. prior | |||||
| VIP | {\color[rgb]{0,0.5,0.5}\mathbf{0.50\pm 0.08}} | {\color[rgb]{0,0.5,0.5}\mathbf{0.31\pm 0.05}} | |||
| FTIP | |||||
| GMVIP | {\color[rgb]{0.75,0,0.25}\mathbf{0.32\pm 0.06}} | {\color[rgb]{0.75,0,0.25}\mathbf{0.51\pm 0.29}} | {\color[rgb]{0.75,0,0.25}\mathbf{0.20\pm 0.04}} | {\color[rgb]{0,0.5,0.5}\mathbf{0.90\pm 0.04}} | {\color[rgb]{0,0.5,0.5}\mathbf{0.31\pm 0.02}} |
| Method | RMSE | NLL | CRPS | CQM | Cov. 80% | Cov. 90% |
|---|---|---|---|---|---|---|
| Analog prior | {\color[rgb]{0,0.5,0.5}\mathbf{5.31\pm 0.44}} | {\color[rgb]{0,0.5,0.5}\mathbf{0.12\pm 0.01}} | ||||
| VIP | ||||||
| FTIP | ||||||
| Empirical Gaussian | {\color[rgb]{0.75,0,0.25}\mathbf{48.44\pm 15.27}} | {\color[rgb]{0,0.5,0.5}\mathbf{28.37\pm 9.06}} | {\color[rgb]{0.75,0,0.25}\mathbf{79.32\pm 2.16}} | {\color[rgb]{0.75,0,0.25}\mathbf{86.62\pm 1.78}} | ||
| GMVIP | {\color[rgb]{0,0.5,0.5}\mathbf{49.06\pm 15.06}} | {\color[rgb]{0.75,0,0.25}\mathbf{4.35\pm 0.14}} | {\color[rgb]{0.75,0,0.25}\mathbf{27.48\pm 8.74}} | {\color[rgb]{0.75,0,0.25}\mathbf{0.11\pm 0.01}} | {\color[rgb]{0,0.5,0.5}\mathbf{76.22\pm 2.11}} | {\color[rgb]{0,0.5,0.5}\mathbf{86.53\pm 1.73}} |
| Metric | Dataset | MFVI | VIP | FBNN | SIP | TFSVI | FTIP | GMVIP |
|---|---|---|---|---|---|---|---|---|
| RMSE | Year | {\color[rgb]{0,0.5,0.5}\mathbf{8.95\pm 0.01}} | {\color[rgb]{0.75,0,0.25}\mathbf{8.91\pm 0.02}} | |||||
| Airline | {\color[rgb]{0,0.5,0.5}\mathbf{37.72\pm 0.13}} | {\color[rgb]{0.75,0,0.25}\mathbf{37.62\pm 0.10}} | ||||||
| NLL | Year | {\color[rgb]{0,0.5,0.5}\mathbf{3.61\pm 0.00}} | {\color[rgb]{0.75,0,0.25}\mathbf{3.60\pm 0.00}} | {\color[rgb]{0,0.5,0.5}\mathbf{3.61\pm 0.00}} | ||||
| Airline | {\color[rgb]{0.75,0,0.25}\mathbf{5.07\pm 0.00}} | {\color[rgb]{0.75,0,0.25}\mathbf{5.07\pm 0.00}} | {\color[rgb]{0,0.5,0.5}\mathbf{5.08\pm 0.00}} | {\color[rgb]{0.75,0,0.25}\mathbf{5.07\pm 0.01}} | ||||
| CRPS | Year | {\color[rgb]{0,0.5,0.5}\mathbf{4.717\pm 0.007}} | {\color[rgb]{0.75,0,0.25}\mathbf{4.675\pm 0.012}} | |||||
| Airline | {\color[rgb]{0.75,0,0.25}\mathbf{17.47\pm 0.13}} | {\color[rgb]{0,0.5,0.5}\mathbf{17.61\pm 0.04}} |
Appendix figures & tables22 assets
Supplementary material from the paper’s appendix.
Appendix
| Method | RMSE | NLL | CRPS | CQM | Cov. 80% | Cov. 90% |
|---|---|---|---|---|---|---|
| Analog prior | {\color[rgb]{0,0.5,0.5}\mathbf{4.30\ [4.06,4.70]}} | {\color[rgb]{0.75,0,0.25}\mathbf{0.093\ [0.077,0.112]}} | {\color[rgb]{0,0.5,0.5}\mathbf{78.13\ [73.96,84.38]}} | {\color[rgb]{0.75,0,0.25}\mathbf{91.67\ [88.54,92.71]}} | ||
| VIP | ||||||
| FTIP | ||||||
| Empirical Gaussian | {\color[rgb]{0,0.5,0.5}\mathbf{16.99\ [11.14,25.10]}} | {\color[rgb]{0,0.5,0.5}\mathbf{8.39\ [6.06,14.05]}} | {\color[rgb]{0.75,0,0.25}\mathbf{91.67\ [89.58,93.75]}} | |||
| GMVIP | {\color[rgb]{0.75,0,0.25}\mathbf{16.20\ [11.14,24.85]}} | {\color[rgb]{0.75,0,0.25}\mathbf{4.08\ [3.79,4.54]}} | {\color[rgb]{0.75,0,0.25}\mathbf{8.14\ [5.93,13.52]}} | {\color[rgb]{0,0.5,0.5}\mathbf{0.102\ [0.072,0.112]}} | {\color[rgb]{0.75,0,0.25}\mathbf{80.21\ [77.08,84.38]}} | {\color[rgb]{0,0.5,0.5}\mathbf{92.71\ [89.58,93.75]}} |
| Distribution | Configuration | Energy | ||||||
|---|---|---|---|---|---|---|---|---|
| True-prior split | ||||||||
| VIP surrogate | ||||||||
| GMVIP surrogate |
| Coefficient dim. | ||||
|---|---|---|---|---|
| VIP | GMVIP | VIP | GMVIP | |
| Bank | Energy | |||||
|---|---|---|---|---|---|---|
| Metric | Dataset | MAP | MFVI | VIP | FBNN | SIP | FTIP | GMVIP |
|---|---|---|---|---|---|---|---|---|
| NLL | FashionMNIST | {\color[rgb]{0.75,0,0.25}\mathbf{0.261\pm 0.016}} | {\color[rgb]{0,0.5,0.5}\mathbf{0.274\pm 0.017}} | {\color[rgb]{0.75,0,0.25}\mathbf{0.261\pm 0.015}} | ||||
| CIFAR10 | {\color[rgb]{0,0.5,0.5}\mathbf{1.093\pm 0.065}} | {\color[rgb]{0.75,0,0.25}\mathbf{1.039\pm 0.065}} | {\color[rgb]{0,0.5,0.5}\mathbf{1.093\pm 0.025}} | |||||
| Error | FashionMNIST | {\color[rgb]{0,0.5,0.5}\mathbf{0.093\pm 0.005}} | {\color[rgb]{0.75,0,0.25}\mathbf{0.092\pm 0.005}} | |||||
| CIFAR10 | {\color[rgb]{0.75,0,0.25}\mathbf{0.342\pm 0.010}} | {\color[rgb]{0,0.5,0.5}\mathbf{0.348\pm 0.010}} | ||||||
| ECE | FashionMNIST | {\color[rgb]{0.75,0,0.25}\mathbf{0.016\pm 0.003}} | {\color[rgb]{0,0.5,0.5}\mathbf{0.019\pm 0.004}} | |||||
| CIFAR10 | {\color[rgb]{0,0.5,0.5}\mathbf{0.069\pm 0.015}} | {\color[rgb]{0.75,0,0.25}\mathbf{0.045\pm 0.011}} |
| Method | Accuracy (%) | NLL | ECE |
|---|---|---|---|
| MAP | |||
| MFVI | |||
| VIP | {\color[rgb]{0,0.5,0.5}\mathbf{94.42\pm 0.05}} | {\color[rgb]{0,0.5,0.5}\mathbf{0.1700\pm 0.0008}} | |
| FBNN | |||
| SIP | {\color[rgb]{0.75,0,0.25}\mathbf{0.0057\pm 0.0011}} | ||
| TFSVI |
| Round 1 (in distribution) | Round 2 (shifted) | |||||||
|---|---|---|---|---|---|---|---|---|
| Method | Acc. (%) | NLL | ECE | AURC | Acc. (%) | NLL | ECE | AURC |
| MAP | ||||||||
| MFVI | {\color[rgb]{0,0.5,0.5}\mathbf{0.0319\pm 0.0004}} | |||||||
| VIP | {\color[rgb]{0,0.5,0.5}\mathbf{59.30\pm 0.21}} | {\color[rgb]{0,0.5,0.5}\mathbf{0.8796\pm 0.0005}} | {\color[rgb]{0.75,0,0.25}\mathbf{0.0385\pm 0.0006}} | {\color[rgb]{0,0.5,0.5}\mathbf{0.2530\pm 0.0006}} | {\color[rgb]{0.75,0,0.25}\mathbf{57.96\pm 0.29}} | {\color[rgb]{0,0.5,0.5}\mathbf{0.9209\pm 0.0023}} | {\color[rgb]{0,0.5,0.5}\mathbf{0.3168\pm 0.0005}} | |
| FBNN | {\color[rgb]{0,0.5,0.5}\mathbf{0.0388\pm 0.0007}} | |||||||
| SIP | {\color[rgb]{0.75,0,0.25}\mathbf{0.0296\pm 0.0011}} | |||||||
| RMSE | Boston | Concrete | Energy | Kin8nm | Naval ( ) | Power | Protein | Wine Red | Yacht |
|---|---|---|---|---|---|---|---|---|---|
| MAP | |||||||||
| MFVI | {\color[rgb]{0,0.5,0.5}\mathbf{0.62\pm 0.03}} | ||||||||
| VIP | {\color[rgb]{0.75,0,0.25}\mathbf{3.76\pm 0.07}} | ||||||||
| FBNN | {\color[rgb]{0,0.5,0.5}\mathbf{5.21\pm 0.52}} | {\color[rgb]{0,0.5,0.5}\mathbf{0.51\pm 0.05}} | {\color[rgb]{0.75,0,0.25}\mathbf{0.23\pm 0.06}} | ||||||
| SIP | {\color[rgb]{0.75,0,0.25}\mathbf{3.22\pm 0.99}} | {\color[rgb]{0,0.5,0.5}\mathbf{0.071\pm 0.001}} | {\color[rgb]{0,0.5,0.5}\mathbf{1.48\pm 0.23}} | ||||||
| TFSVI |
| RMSE | Boston | Concrete | Energy | Kin8nm | Naval ( ) | Power | Protein | Wine red | Yacht |
|---|---|---|---|---|---|---|---|---|---|
| Grid | {\color[rgb]{0,0.5508,0.5859}\mathbf{3.26\pm 0.55}} | {\color[rgb]{0,0.5508,0.5859}\mathbf{0.62\pm 0.03}} | |||||||
| Random subset | {\color[rgb]{0.8477,0.1055,0.375}\mathbf{3.22\pm 0.85}} | {\color[rgb]{0,0.5508,0.5859}\mathbf{4.27\pm 0.54}} | {\color[rgb]{0,0.5508,0.5859}\mathbf{0.51\pm 0.05}} | {\color[rgb]{0,0.5508,0.5859}\mathbf{0.069\pm 0.001}} | {\color[rgb]{0,0.5508,0.5859}\mathbf{1.45\pm 0.34}} | {\color[rgb]{0,0.5508,0.5859}\mathbf{3.79\pm 0.12}} | {\color[rgb]{0,0.5508,0.5859}\mathbf{4.32\pm 0.04}} | {\color[rgb]{0,0.5508,0.5859}\mathbf{0.41\pm 0.15}} | |
| -means | {\color[rgb]{0.8477,0.1055,0.375}\mathbf{4.24\pm 0.74}} | {\color[rgb]{0.8477,0.1055,0.375}\mathbf{0.51\pm 0.05}} | {\color[rgb]{0.8477,0.1055,0.375}\mathbf{0.069\pm 0.001}} | {\color[rgb]{0.8477,0.1055,0.375}\mathbf{1.36\pm 0.19}} | {\color[rgb]{0.8477,0.1055,0.375}\mathbf{3.78\pm 0.12}} | {\color[rgb]{0.8477,0.1055,0.375}\mathbf{4.32\pm 0.04}} | {\color[rgb]{0.8477,0.1055,0.375}\mathbf{0.60\pm 0.03}} | {\color[rgb]{0.8477,0.1055,0.375}\mathbf{0.32\pm 0.11}} | |
| NLL | Boston | Concrete | Energy | Kin8nm | Naval | Power | Protein | Wine red | Yacht |
| Grid | {\color[rgb]{0.8477,0.1055,0.375}\mathbf{2.83\pm 0.41}} | {\color[rgb]{0,0.5508,0.5859}\mathbf{0.98\pm 0.07}} | |||||||
| Random subset | {\color[rgb]{0,0.5508,0.5859}\mathbf{2.87\pm 0.58}} | {\color[rgb]{0,0.5508,0.5859}\mathbf{2.84\pm 0.12}} | {\color[rgb]{0.8477,0.1055,0.375}\mathbf{0.74\pm 0.07}} | {\color[rgb]{0,0.5508,0.5859}\mathbf{-1.25\pm 0.02}} | {\color[rgb]{0,0.5508,0.5859}\mathbf{-7.08\pm 0.06}} | {\color[rgb]{0,0.5508,0.5859}\mathbf{2.75\pm 0.03}} | {\color[rgb]{0,0.5508,0.5859}\mathbf{2.88\pm 0.01}} | {\color[rgb]{0,0.5508,0.5859}\mathbf{0.35\pm 0.32}} |
| RMSE | Boston | Concrete | Energy | Kin8nm | Naval ( ) | Power | Protein | Wine red | Yacht |
|---|---|---|---|---|---|---|---|---|---|
| {\color[rgb]{0,0.5508,0.5859}\mathbf{0.61\pm 0.03}} | {\color[rgb]{0,0.5508,0.5859}\mathbf{0.46\pm 0.14}} | ||||||||
| {\color[rgb]{0,0.5508,0.5859}\mathbf{3.48\pm 0.92}} | {\color[rgb]{0,0.5508,0.5859}\mathbf{4.39\pm 0.54}} | ||||||||
| {\color[rgb]{0.8477,0.1055,0.375}\mathbf{3.24\pm 1.34}} | {\color[rgb]{0,0.5508,0.5859}\mathbf{0.51\pm 0.05}} | {\color[rgb]{0,0.5508,0.5859}\mathbf{0.070\pm 0.001}} | {\color[rgb]{0,0.5508,0.5859}\mathbf{1.56\pm 0.46}} | {\color[rgb]{0,0.5508,0.5859}\mathbf{3.84\pm 0.12}} | {\color[rgb]{0,0.5508,0.5859}\mathbf{4.37\pm 0.04}} | ||||
| {\color[rgb]{0.8477,0.1055,0.375}\mathbf{4.27\pm 0.73}} | {\color[rgb]{0.8477,0.1055,0.375}\mathbf{0.51\pm 0.05}} | {\color[rgb]{0.8477,0.1055,0.375}\mathbf{0.068\pm 0.001}} | {\color[rgb]{0.8477,0.1055,0.375}\mathbf{1.54\pm 0.38}} | {\color[rgb]{0.8477,0.1055,0.375}\mathbf{3.76\pm 0.12}} | {\color[rgb]{0.8477,0.1055,0.375}\mathbf{4.29\pm 0.05}} | {\color[rgb]{0.8477,0.1055,0.375}\mathbf{0.60\pm 0.02}} | {\color[rgb]{0.8477,0.1055,0.375}\mathbf{0.40\pm 0.24}} | ||
| NLL | Boston | Concrete | Energy | Kin8nm | Naval | Power | Protein | Wine red | Yacht |
| {\color[rgb]{0,0.5508,0.5859}\mathbf{3.40\pm 1.77}} | {\color[rgb]{0,0.5508,0.5859}\mathbf{0.95\pm 0.07}} | {\color[rgb]{0.8477,0.1055,0.375}\mathbf{0.46\pm 0.16}} |
| RMSE | Boston | Concrete | Energy | Kin8nm | Naval ( ) | Power | Protein | Wine red | Yacht |
|---|---|---|---|---|---|---|---|---|---|
| {\color[rgb]{0.8477,0.1055,0.375}\mathbf{1.29\pm 0.17}} | |||||||||
| {\color[rgb]{0,0.5508,0.5859}\mathbf{4.37\pm 0.47}} | {\color[rgb]{0,0.5508,0.5859}\mathbf{1.32\pm 0.20}} | {\color[rgb]{0,0.5508,0.5859}\mathbf{3.78\pm 0.12}} | |||||||
| {\color[rgb]{0,0.5508,0.5859}\mathbf{4.31\pm 0.05}} | |||||||||
| {\color[rgb]{0,0.5508,0.5859}\mathbf{3.68\pm 1.35}} | {\color[rgb]{0.8477,0.1055,0.375}\mathbf{0.51\pm 0.05}} | {\color[rgb]{0.8477,0.1055,0.375}\mathbf{0.069\pm 0.001}} | {\color[rgb]{0.8477,0.1055,0.375}\mathbf{3.77\pm 0.13}} | {\color[rgb]{0.8477,0.1055,0.375}\mathbf{4.31\pm 0.04}} | {\color[rgb]{0,0.5508,0.5859}\mathbf{0.64\pm 0.03}} | {\color[rgb]{0,0.5508,0.5859}\mathbf{0.33\pm 0.12}} | |||
| {\color[rgb]{0.8477,0.1055,0.375}\mathbf{3.32\pm 0.97}} | {\color[rgb]{0.8477,0.1055,0.375}\mathbf{4.24\pm 0.74}} | {\color[rgb]{0,0.5508,0.5859}\mathbf{0.51\pm 0.05}} | {\color[rgb]{0,0.5508,0.5859}\mathbf{0.069\pm 0.001}} | {\color[rgb]{0.8477,0.1055,0.375}\mathbf{0.60\pm 0.03}} | {\color[rgb]{0.8477,0.1055,0.375}\mathbf{0.32\pm 0.11}} | ||||
| NLL | Boston | Concrete | Energy | Kin8nm | Naval | Power | Protein | Wine red | Yacht |
| RMSE | Boston | Concrete | Energy | Kin8nm | Naval ( ) | Power | Protein | Wine Red | Yacht |
|---|---|---|---|---|---|---|---|---|---|
| Full | |||||||||
| Induc. only | |||||||||
| NLL | Boston | Concrete | Energy | Kin8nm | Naval | Power | Protein | Wine Red | Yacht |
| Full | |||||||||
| Induc. only | |||||||||
| CRPS | Boston | Concrete | Energy | Kin8nm | Naval ( ) | Power | Protein | Wine Red | Yacht |
| RMSE | Boston | Concrete | Energy | Kin8nm | Naval ( ) | Power | Protein | Wine Red | Yacht |
|---|---|---|---|---|---|---|---|---|---|
| VIP (tunable) | |||||||||
| VIP (frozen) | |||||||||
| FTIP (tunable) | |||||||||
| FTIP (frozen) | |||||||||
| GMVIP (tunable) | |||||||||
| GMVIP (frozen) |
| Method | Representation size | RMSE | NLL | CRPS | Cov 90 | ODE residual |
|---|---|---|---|---|---|---|
| VIP | ||||||
| VIP | ||||||
| VIP | {\color[rgb]{0,0.5,0.5}\mathbf{0.89\pm 0.04}} | |||||
| VIP | {\color[rgb]{0,0.5,0.5}\mathbf{0.22\pm 0.06}} | |||||
| FTIP | {\color[rgb]{0,0.5,0.5}\mathbf{0.62\pm 0.03}} | |||||
| FTIP |
| Method | Setup | Train / step | Eval time | CUDA memory | Latent dim. | Prior samples |
|---|---|---|---|---|---|---|
| VIP | 0.04s | 0.006s | 0.247s | 28 / 48 MB | 20 | – |
| FTIP | 0.16s | 0.023s | 0.216s | 84 / 112 MB | 20 | 512 |
| FBNN | 0.03s | 0.044s | 0.247s | 176 / 290 MB | 512 | 512 |
| TFSVI | 4.09s | 0.067s | 0.232s | 249 / 378 MB | 512 | – |
| SIP | 2.34s | 0.021s | 0.357s | 626 / 672 MB | 100 | 512 |
| GMVIP | 1.17s | 0.031s | 0.489s | 626 / 672 MB | 100 | 512 |