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Practical Usage Guide

This guide maps real-world data pathologies to specific torchregress methods, with quantitative tradeoffs and mathematical justification for each choice.

For the principled workflow (baseline → probabilistic → robust), see Best Practices. For the full capability matrix, see Method Selection Matrix.


Loss Selection by Data Pathology

Heteroscedastic Noise (variance depends on \(x\))

The canonical approach is to predict both \(\mu(x)\) and \(\log\sigma^2(x)\), optimising the Gaussian negative log-likelihood:

\[ \mathcal{L}_{\text{NLL}} = \frac{1}{2}\sum_{i=1}^n \left[\log\sigma^2(x_i) + \frac{(y_i - \mu(x_i))^2}{\sigma^2(x_i)}\right] + \text{const} \]

This is a proper scoring rule — it is uniquely minimised by the true conditional distribution \(p(y \mid x)\) (Gneiting & Raftery 2007).

  • Use GaussianNLLLoss for unimodal, heteroscedastic data.
  • Use BetaNLLLoss when Gaussian NLL exhibits variance collapse early in training (Skafte et al. 2019).
  • For heteroscedasticity with outliers, combine a robust mean term with a variance head: see Robust losses.

Outliers & Heavy Tails

The choice of robust loss is governed by the influence function \(\psi(r) = \rho'(r)\), which measures how much a single residual \(r = y - \hat{y}\) affects the parameter estimate (Huber 1964):

Loss Influence \(\psi(r)\) Breakdown Best For Reference
Huber \(\max(-c, \min(c, r))\) Linear tail 5–10% outliers Huber (1964)
Cauchy \(2r / (1 + r^2/c^2)\) Redescending 10–25%
Tukey $r(1 - r2/c2)^2 \cdot \mathbf{1}_{ r \leq c}$ Zero after \(c\)
Barron \(\alpha\)-parametrized continuum Tunable Unknown regime Barron (2019)
# Rule of thumb:
# <10% outliers  → WeightedHuberLoss(delta=1.0)
# 10–25%         → CauchyLoss(c=1.0)
# >25%           → TukeyBiweightLoss(c=4.685)
# unknown        → AdaptiveRobustLoss()  # learn alpha

For a complete treatment with influence-function plots, see the Robust losses guide.

Count Data & Positive Targets

The mean–variance relationship determines the appropriate loss:

\[ \begin{cases} \text{Var}(y) = \mu & \text{Poisson} \\ \text{Var}(y) = \mu + \mu^2/r & \text{Negative Binomial} \\ \text{Var}(y) = \phi\mu^p & \text{Tweedie} \quad (0 < p < 2) \\ \text{Var}(y) = \phi\mu^3 & \text{Inverse Gaussian} \end{cases} \]
Data Pattern Loss Reference
Counts, \(\text{Var} \approx \mu\) PoissonDevianceLoss Nelder & Wedderburn (1972)
Overdispersed counts NegativeBinomialNLLLoss
Zeros + continuous positives TweedieLoss Tweedie (1984)
Positive, right-skewed GammaLoss
Excess zeros ZeroInflatedPoissonNLLLoss Lambert (1992)

See Poisson & Tweedie guide for details.

Censored Targets

When the target is only partially observed — right-censored (sensor clipped), left-censored (detection limit), or interval-censored — the likelihood is:

\[ \mathcal{L} = \begin{cases} \log p(y_i \mid x_i) & \text{fully observed} \\ \log \Phi\!\left(\frac{c - \mu_i}{\sigma_i}\right) & \text{right-censored at } c \\ \log \left[1 - \Phi\!\left(\frac{c - \mu_i}{\sigma_i}\right)\right] & \text{left-censored at } c \\ \log \left[\Phi\!\left(\frac{u_i - \mu_i}{\sigma_i}\right) - \Phi\!\left(\frac{l_i - \mu_i}{\sigma_i}\right)\right] & \text{interval-censored } [l_i, u_i] \end{cases} \]

where \(\Phi\) is the standard Gaussian CDF (Tobin 1958).

Multimodal Targets

When a given \(x\) can produce multiple distinct \(y\) values, Gaussian losses are misspecified (they average modes). Use mixture models:

\[ p(y \mid x) = \sum_{k=1}^K \pi_k(x)\ \mathcal{N}\!\bigl(y \mid \mu_k(x),\, \sigma_k^2(x)\bigr) \]

See Multimodal targets guide.

Imbalanced Targets

When the target distribution is heavily skewed, loss reweighting methods target specific tail-region tradeoffs (Ren et al. 2019):

Loss Strategy Tail Focus
DensityWeightedLoss Inverse target-density Moderate
FocalRLoss Hard-example focus Strong
LDSLoss Label Distribution Smoothing Strong
PropensityWeightedLoss Inverse propensity scores Moderate

See Imbalanced regression guide.

Measurement Error in Inputs

When \(x\) is observed with noise \(x_{\text{obs}} = x_{\text{true}} + \epsilon\), standard regression produces attenuated estimates (Carroll et al. 2006):

Method Requires Tradeoff
StructuralEIVLoss Known \(\sigma_x / \sigma_y\) Simple, assumes constant ratio
FunctionalEIVLoss Per-sample \(\sigma_x\) Handles heteroscedastic input noise
OrthogonalDistanceRegressionLoss Nothing extra General, slower
Regression Calibration (RC) Validation data Bias correction via surrogate
SIMEX Error distribution Simulation-based, flexible

See EIV losses, RC, SIMEX.


Prediction Intervals: Distributional vs. Distribution-Free

Method Assumes Guarantee Width Adaptivity Reference
Gaussian NLL Gaussian likelihood Asymptotic Heteroscedastic \(\sigma(x)\) Nix & Weigend (1994)
Quantile regression None for each \(q\) Asymptotic consistent \(q\) Per-quantile Koenker & Bassett (1978)
Split conformal Exchangeability Finite-sample \(1-\alpha\) Via CQR Vovk et al. (2005), Romano et al. (2019)
Ensemble quantiles None Heuristic Decomposable Lakshminarayanan et al. (2017)

Recommendation: use quantile regression + CQR for robust, adaptive intervals with finite-sample coverage. Use Gaussian NLL when you need a full density (not just intervals) and trust the Gaussian assumption.


Evaluation Checklist

Before trusting a model's uncertainty estimates, verify:

  • RMSE / NLL / CRPS all improve on holdout (not just one).
  • Reliability diagram: 90% intervals contain \(\approx 90\%\) of holdout data.
  • PIT histogram: uniform for well-calibrated densities.
  • OOD sensitivity: uncertainty increases on out-of-distribution inputs.
  • No variance collapse: \(\sigma(x)\) is not near zero everywhere.
  • Residuals: no obvious structure (heteroscedasticity, curvature).

For implementation, see Visualization Methods and Calibration Metrics.


References

# Reference
1 Gneiting, T. & Raftery, A. E. (2007). Strictly Proper Scoring Rules, Prediction, and Estimation. JASA, 102(477), 359–378.
2 Skafte, N., Jørgensen, M. & Hauberg, S. (2019). Reliable Training and Estimation of Variance Networks. NeurIPS.
3 Huber, P. J. (1964). Robust Estimation of a Location Parameter. Annals of Mathematical Statistics, 35(1), 73–101.
4 Tobin, J. (1958). Estimation of Relationships for Limited Dependent Variables. Econometrica, 26(1), 24–36.
5 Cox, D. R. (1972). Regression Models and Life-Tables. J. Royal Statistical Society B, 34(2), 187–202.
6 Bishop, C. M. (1994). Mixture Density Networks. Technical Report, Aston University.
7 Rezende, D. J. & Mohamed, S. (2015). Variational Inference with Normalizing Flows. ICML.
8 Koenker, R. & Bassett, G. (1978). Regression Quantiles. Econometrica, 46(1), 33–50.
9 Carroll, R. J., Ruppert, D., Stefanski, L. A. & Crainiceanu, C. M. (2006). Measurement Error in Nonlinear Models (2nd ed.). Chapman & Hall.
10 Vovk, V., Gammerman, A. & Shafer, G. (2005). Algorithmic Learning in a Random World. Springer.
11 Romano, Y., Patterson, E. & Candès, E. (2019). Conformalized Quantile Regression. NeurIPS.
12 Lakshminarayanan, B., Pritzel, A. & Blundell, C. (2017). Simple and Scalable Predictive Uncertainty Estimation using Deep Ensembles. NeurIPS.
13 Ren, J., Liu, P. J., Fertig, E., Snoek, J., Poplin, R., DePristo, M. A., ... & Angermueller, C. (2019). Likelihood Ratios for Out-of-Distribution Detection. NeurIPS.
14 Nix, D. A. & Weigend, A. S. (1994). Estimating the Mean and Variance of the Target Probability Distribution. IEEE ICNN.