deterministic predictor
The conditional-mean barrier: From deterministic regression to conditional distribution learning
Many problems in computational science and engineering become one-to-many after coarse graining, partial observation, or inverse reconstruction: a resolved state may not determine a unique subgrid forcing, a structural descriptor may not determine a unique effective response, and a low-resolution observation may correspond to many plausible high-resolution fields. In such settings, deterministic surrogates may learn a well-defined mathematical object while still missing application-relevant uncertainty. This tutorial develops a self-contained module centered on the conditional-mean barrier: the point at which a squared-loss predictor has reached the conditional mean and the remaining error is irreducible aleatoric variance. We give two diagnostics for locating this barrier, residual-feature orthogonality and the coefficient of determination against its explained-variance ceiling, and prove that adding latent randomness to a squared-loss predictor collapses it back to the conditional mean. Crossing the barrier therefore requires a loss that scores distributions rather than point predictions. We briefly organize common distributional objectives, including negative log-likelihood, moment and observable matching, variational objectives, adversarial divergences, and score matching, by the feature of the conditional law each targets. The emphasis is the boundary itself and a finite-data procedure for recognizing it, rather than a survey of methods beyond it. CPU-based demonstrations on a two-branch law and a two-scale Lorenz-96 closure problem show how the diagnostics distinguish deterministic underfitting from residual distributional variability.
Derandomizing Multi-Distribution Learning
Multi-distribution or collaborative learning involves learning a single predictor that works well across multiple data distributions, using samples from each during training. Recent research on multi-distribution learning, focusing on binary loss and finite VC dimension classes, has shown near-optimal sample complexity that is achieved with oracle efficient algorithms. That is, these algorithms are computationally efficient given an efficient ERM for the class. Unlike in classical PAC learning, where the optimal sample complexity is achieved with deterministic predictors, current multi-distribution learning algorithms output randomized predictors. This raises the question: can these algorithms be derandomized to produce a deterministic predictor for multiple distributions? Through a reduction to discrepancy minimization, we show that derandomizing multi-distribution learning is computationally hard, even when ERM is computationally efficient. On the positive side, we identify a structural condition enabling an efficient black-box reduction, converting existing randomized multi-distribution predictors into deterministic ones.
Panprediction: Optimal Predictions for Any Downstream Task and Loss
Balakrishnan, Sivaraman, Haghtalab, Nika, Hsu, Daniel, Lee, Brian, Zhao, Eric
Supervised learning is classically formulated as training a model to minimize a fixed loss function over a fixed distribution, or task. However, an emerging paradigm instead views model training as extracting enough information from data so that the model can be used to minimize many losses on many downstream tasks. We formalize a mathematical framework for this paradigm, which we call panprediction, and study its statistical complexity. Formally, panprediction generalizes omniprediction and sits upstream from multi-group learning, which respectively focus on predictions that generalize to many downstream losses or many downstream tasks, but not both. Concretely, we design algorithms that learn deterministic and randomized panpredictors with $\tilde{O}(1/\varepsilon^3)$ and $\tilde{O}(1/\varepsilon^2)$ samples, respectively. Our results demonstrate that under mild assumptions, simultaneously minimizing infinitely many losses on infinitely many tasks can be as statistically easy as minimizing one loss on one task. Along the way, we improve the best known sample complexity guarantee of deterministic omniprediction by a factor of $1/\varepsilon$, and match all other known sample complexity guarantees of omniprediction and multi-group learning. Our key technical ingredient is a nearly lossless reduction from panprediction to a statistically efficient notion of calibration, called step calibration.
Derandomizing Multi-Distribution Learning
Multi-distribution or collaborative learning involves learning a single predictor that works well across multiple data distributions, using samples from each during training. Recent research on multi-distribution learning, focusing on binary loss and finite VC dimension classes, has shown near-optimal sample complexity that is achieved with oracle efficient algorithms. That is, these algorithms are computationally efficient given an efficient ERM for the class. Unlike in classical PAC learning, where the optimal sample complexity is achieved with deterministic predictors, current multi-distribution learning algorithms output randomized predictors. This raises the question: can these algorithms be derandomized to produce a deterministic predictor for multiple distributions?
Attainability and Optimality: The Equalized Odds Fairness Revisited
Fairness of machine learning algorithms has been of increasing interest. In order to suppress or eliminate discrimination in prediction, various notions as well as approaches have been proposed to impose fairness. Given a notion of fairness, an essential problem is then whether or not it can always be attained, even if with an unlimited amount of data. This issue is, however, not well addressed yet. In this paper, focusing on the Equalized Odds notion of fairness, we consider the attainability of this criterion and, furthermore, if it is attainable, the optimality of the prediction performance under various settings. In particular, for prediction performed by a deterministic function of input features, we give conditions under which Equalized Odds can hold true; if the stochastic prediction is acceptable, we show that under mild assumptions, fair predictors can always be derived. For classification, we further prove that compared to enforcing fairness by post-processing, one can always benefit from exploiting all available features during training and get potentially better prediction performance while remaining fair. Moreover, while stochastic prediction can attain Equalized Odds with theoretical guarantees, we also discuss its limitation and potential negative social impacts.
PAC-Bayesian Transportation Bound
We present a new generalization error bound, the \emph{PAC-Bayesian transportation bound}, unifying the PAC-Bayesian analysis and the generic chaining method in view of the optimal transportation. The proposed bound is the first PAC-Bayesian framework that characterizes the cost of de-randomization of stochastic predictors facing any Lipschitz loss functions. As an example, we give an upper bound on the de-randomization cost of spectrally normalized neural networks~(NNs) to evaluate how much randomness contributes to the generalization of NNs.