skip to main content


Title: Batch Multivalid Conformal Prediction
We develop fast distribution-free conformal prediction algorithms for obtaining multivalid coverage on exchangeable data in the batch setting. Multivalid coverage guarantees are stronger than marginal coverage guarantees in two ways: (1) They hold even conditional on group membership---that is, the target coverage level holds conditionally on membership in each of an arbitrary (potentially intersecting) group in a finite collection of regions in the feature space. (2) They hold even conditional on the value of the threshold used to produce the prediction set on a given example. In fact multivalid coverage guarantees hold even when conditioning on group membership and threshold value simultaneously. We give two algorithms: both take as input an arbitrary non-conformity score and an arbitrary collection of possibly intersecting groups , and then can equip arbitrary black-box predictors with prediction sets. Our first algorithm is a direct extension of quantile regression, needs to solve only a single convex minimization problem, and produces an estimator which has group-conditional guarantees for each group in . Our second algorithm is iterative, and gives the full guarantees of multivalid conformal prediction: prediction sets that are valid conditionally both on group membership and non-conformity threshold. We evaluate the performance of both of our algorithms in an extensive set of experiments.  more » « less
Award ID(s):
2147212 2217062 1763307
NSF-PAR ID:
10426397
Author(s) / Creator(s):
; ; ;
Date Published:
Journal Name:
International Conference on Learning Representations (ICLR)
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
More Like this
  1. We give a simple, generic conformal prediction method for sequential prediction that achieves target empirical coverage guarantees against adversarially chosen data. It is computationally lightweight -- comparable to split conformal prediction -- but does not require having a held-out validation set, and so all data can be used for training models from which to derive a conformal score. It gives stronger than marginal coverage guarantees in two ways. First, it gives threshold calibrated prediction sets that have correct empirical coverage even conditional on the threshold used to form the prediction set from the conformal score. Second, the user can specify an arbitrary collection of subsets of the feature space -- possibly intersecting -- and the coverage guarantees also hold conditional on membership in each of these subsets. We call our algorithm MVP, short for MultiValid Prediction. We give both theory and an extensive set of empirical evaluations. 
    more » « less
  2. We present a general, efficient technique for providing contextual predictions that are "multivalid" in various senses, against an online sequence of adversarially chosen examples (x,y). This means that the resulting estimates correctly predict various statistics of the labels y not just marginally --- as averaged over the sequence of examples --- but also conditionally on x in G for any G belonging to an arbitrary intersecting collection of groups. We provide three instantiations of this framework. The first is mean prediction, which corresponds to an online algorithm satisfying the notion of multicalibration from Hebert-Johnson et al. The second is variance and higher moment prediction, which corresponds to an online algorithm satisfying the notion of mean-conditioned moment multicalibration from Jung et al. Finally, we define a new notion of prediction interval multivalidity, and give an algorithm for finding prediction intervals which satisfy it. Because our algorithms handle adversarially chosen examples, they can equally well be used to predict statistics of the residuals of arbitrary point prediction methods, giving rise to very general techniques for quantifying the uncertainty of predictions of black box algorithms, even in an online adversarial setting. When instantiated for prediction intervals, this solves a similar problem as conformal prediction, but in an adversarial environment and with multivalidity guarantees stronger than simple marginal coverage guarantees. 
    more » « less
  3. null (Ed.)
    Abstract We consider the problem of distribution-free predictive inference, with the goal of producing predictive coverage guarantees that hold conditionally rather than marginally. Existing methods such as conformal prediction offer marginal coverage guarantees, where predictive coverage holds on average over all possible test points, but this is not sufficient for many practical applications where we would like to know that our predictions are valid for a given individual, not merely on average over a population. On the other hand, exact conditional inference guarantees are known to be impossible without imposing assumptions on the underlying distribution. In this work, we aim to explore the space in between these two and examine what types of relaxations of the conditional coverage property would alleviate some of the practical concerns with marginal coverage guarantees while still being possible to achieve in a distribution-free setting. 
    more » « less
  4. Graph Neural Networks (GNNs) are powerful machine learning prediction models on graph-structured data. However, GNNs lack rigorous uncertainty estimates, limiting their reliable deployment in settings where the cost of errors is significant. We propose conformalized GNN (CF-GNN), extending conformal prediction (CP) to graph-based models for guaranteed uncertainty estimates. Given an entity in the graph, CF-GNN produces a prediction set/interval that provably contains the true label with pre-defined coverage probability (e.g. 90%). We establish a permutation invariance condition that enables the validity of CP on graph data and provide an exact characterization of the test-time coverage. Besides valid coverage, it is crucial to reduce the prediction set size/interval length for practical use. We observe a key connection between non-conformity scores and network structures, which motivates us to develop a topology-aware output correction model that learns to update the prediction and produces more efficient prediction sets/intervals. Extensive experiments show that CF-GNN achieves any pre-defined target marginal coverage while significantly reducing the prediction set/interval size by up to 74% over the baselines. It also empirically achieves satisfactory conditional coverage over various raw and network features. 
    more » « less
  5. Deep neural networks are powerful tools to detect hidden patterns in data and leverage them to make predictions, but they are not designed to understand uncertainty and estimate reliable probabilities. In particular, they tend to be overconfident. We begin to address this problem in the context of multi-class classification by developing a novel training algorithm producing models with more dependable uncertainty estimates, without sacrificing predictive power. The idea is to mitigate overconfidence by minimizing a loss function, inspired by advances in conformal inference, that quantifies model uncertainty by carefully leveraging hold-out data. Experiments with synthetic and real data demonstrate this method can lead to smaller conformal prediction sets with higher conditional coverage, after exact calibration with hold-out data, compared to state-of-the-art alternatives. 
    more » « less