Conformal prediction is a model-free machine learning method for creating prediction regions with a guaranteed coverage probability level. However, a data scientist often faces three challenges in practice: (i) the determination of a conformal prediction region is only approximate, jeopardizing the finite-sample validity of prediction, (ii) the computation required could be prohibitively expensive, and (iii) the shape of a conformal prediction region is hard to control. This article offers new insights into the relationship among the monotonicity of the non-conformity measure, the monotonicity of the plausibility function, and the exact determination of a conformal prediction region. Based on these new insights, we propose a simple strategy to alleviate the three challenges simultaneously.

Regression problems with bounded continuous outcomes frequently arise in real-world statistical and machine learning applications, such as the analysis of rates and proportions. A central challenge in this setting is predicting a response associated with a new covariate value. Most of the existing statistical and machine learning literature has focused either on point prediction of bounded outcomes or on interval prediction based on asymptotic approximations. We develop conformal prediction intervals for bounded outcomes based on transformation models and beta regression. We introduce tailored non-conformity measures based on residuals that are aligned with the underlying models, and account for the inherent heteroscedasticity in regression settings with bounded outcomes. We present a theoretical result on asymptotic marginal and conditional validity in the context of full conformal prediction, which remains valid under model misspecification. For split conformal prediction, we provide an empirical coverage analysis based on a comprehensive simulation study. The simulation study demonstrates that both methods provide valid finite-sample predictive coverage, including settings with model misspecification. Finally, we demonstrate the practical performance of the proposed conformal prediction intervals on real data and compare them with bootstrap-based alternatives.

Counterfactual explanations for black-box models aim to pr ovide insight into an algorithmic decision to its recipient. For a binary classification problem an individual counterfactual details which features might be changed for the model to infer the opposite class. High-dimensional feature spaces that are typical of machine learning classification models admit many possible counterfactual examples to a decision, and so it is important to identify additional criteria to select the most useful counterfactuals. In this paper, we explore the idea that the counterfactuals should be maximally informative when considering the knowledge of a specific individual about the underlying classifier. To quantify this information gain we explicitly model the knowledge of the individual, and assess the uncertainty of predictions which the individual makes by the width of a conformal prediction interval . Regions of feature space where the prediction interval is wide correspond to areas where the confidence in decision making is low, and an additional counterfactual example might be more informative to an individual. To explore and evaluate our individualised conformal prediction interval counterfactuals (CPICFs), first we present a synthetic data set on a hypercube which allows us to fully visualise the decision boundary, conformal intervals via three different methods, and resultant CPICFs. Second, in this synthetic data set we explore the impact of a single CPICF on the knowledge of an individual locally around the original query. Finally, in both our synthetic data set and a complex real world dataset with a combination of continuous and discrete variables, we measure the utility of these counterfactuals via data augmentation, testing the performance on a held out set.

Prediction is one of the most important inferential tasks for actuaries since it forms the basis for many key aspects of an insurer's business operations, such as premium calculation and reserves estimation. According to Shmueli (2010), there are two key goals in data science and statistics: to explain and to predict. However, these two goals often warrant different approaches. For example, as demonstrated in Shmueli (2010), a wrong model, under some conditions, can even beat the oracle model in prediction, but the same cannot be said for explanation. This paper only concerns prediction. In the existing insurance literature, prediction is often performed using either a parametric approach or a non-parametric approach (e.g., Frees et al. 2014). In the parametric approach, the actuary posits a model, applies model selection tools to choose the "best" model, trains the chosen model, and finally makes predictions; see, for example, Claeskens and Hjort (2008) and Part I of Frees (2010). While this parametric approach has been widely applied in insurance, it has several drawbacks. First, the posited model may be misspecified, leading to grossly misleading predictions (Hong and Martin 2020).

This book is about conformal prediction and related inferential techniques that build on permutation tests and exchangeability. These techniques are useful in a diverse array of tasks, including hypothesis testing and providing uncertainty quantification guarantees for machine learning systems. Much of the current interest in conformal prediction is due to its ability to integrate into complex machine learning workflows, solving the problem of forming prediction sets without any assumptions on the form of the data generating distribution. Since contemporary machine learning algorithms have generally proven difficult to analyze directly, conformal prediction's main appeal is its ability to provide formal, finite-sample guarantees when paired with such methods. The goal of this book is to teach the reader about the fundamental technical arguments that arise when researching conformal prediction and related questions in distribution-free inference. Many of these proof strategies, especially the more recent ones, are scattered among research papers, making it difficult for researchers to understand where to look, which results are important, and how exactly the proofs work. We hope to bridge this gap by curating what we believe to be some of the most important results in the literature and presenting their proofs in a unified language, with illustrations, and with an eye towards pedagogy.

Deep neural networks can detect complex data patterns and leverage them to make accurate predictions in many applications, including computer vision, natural language processing, and speech recognition, to name a few examples. These models can sometimes even outperform skilled humans [1], but they still make mistakes. Unfortunately, the severity of these mistakes is compounded by the fact that the predictions computed by neural networks are often overconfident [2], partly due to overfitting [3, 4]. Several training strategies have been developed to mitigate overfitting, including dropout [5], batch normalization [6], weight normalization [7], data augmentation [8], and early stopping [9]; the latter is the focus of this paper. Early stopping consists of continuously evaluating after each batch of stochastic gradient updates (or epoch) the predictive performance of the current model on hold-out independent data. After a large number of gradient updates, only the intermediate model achieving the best performance on the hold-out data is utilized to make predictions. This strategy is often effective at mitigating overfitting and can produce relatively accurate predictions compared to fully trained models, but it does not fully resolve overconfidence because it does not lead to models with finite-sample guarantees.

An important problem in network analysis is predicting a node attribute using both network covariates, such as graph embedding coordinates or local subgraph counts, and conventional node covariates, such as demographic characteristics. While standard regression methods that make use of both types of covariates may be used for prediction, statistical inference is complicated by the fact that the nodal summary statistics are often dependent in complex ways. We show that under a mild joint exchangeability assumption, a network analog of conformal prediction achieves finite sample validity for a wide range of network covariates. We also show that a form of asymptotic conditional validity is achievable. The methods are illustrated on both simulated networks and a citation network dataset.

The main objective of Prognostics and Health Management is to estimate the Remaining Useful Lifetime (RUL), namely, the time that a system or a piece of equipment is still in working order before starting to function incorrectly. In recent years, numerous machine learning algorithms have been proposed for RUL estimation, mainly focusing on providing more accurate RUL predictions. However, there are many sources of uncertainty in the problem, such as inherent randomness of systems failure, lack of knowledge regarding their future states, and inaccuracy of the underlying predictive models, making it infeasible to predict the RULs precisely. Hence, it is of utmost importance to quantify the uncertainty alongside the RUL predictions. In this work, we investigate the conformal prediction (CP) framework that represents uncertainty by predicting sets of possible values for the target variable (intervals in the case of RUL) instead of making point predictions. Under very mild technical assumptions, CP formally guarantees that the actual value (true RUL) is covered by the predicted set with a degree of certainty that can be prespecified. We study three CP algorithms to conformalize any single-point RUL predictor and turn it into a valid interval predictor. Finally, we conformalize two single-point RUL predictors, deep convolutional neural networks and gradient boosting, and illustrate their performance on the Commercial Modular Aero-Propulsion System Simulation (C-MAPSS) data sets.

We propose a nonparametric quantile regression method using deep neural networks with a rectified linear unit penalty function to avoid quantile crossing. This penalty function is computationally feasible for enforcing non-crossing constraints in multi-dimensional nonparametric quantile regression. We establish non-asymptotic upper bounds for the excess risk of the proposed nonparametric quantile regression function estimators. Our error bounds achieve optimal minimax rate of convergence for the Holder class, and the prefactors of the error bounds depend polynomially on the dimension of the predictor, instead of exponentially. Based on the proposed non-crossing penalized deep quantile regression, we construct conformal prediction intervals that are fully adaptive to heterogeneity. The proposed prediction interval is shown to have good properties in terms of validity and accuracy under reasonable conditions. We also derive non-asymptotic upper bounds for the difference of the lengths between the proposed non-crossing conformal prediction interval and the theoretically oracle prediction interval. Numerical experiments including simulation studies and a real data example are conducted to demonstrate the effectiveness of the proposed method.

Before delegating a task to an autonomous system, a human operator may want a guarantee about the behavior of the system. This paper extends previous work on conformal prediction for functional data and conformalized quantile regression to provide conformal prediction intervals over the future behavior of an autonomous system executing a fixed control policy on a Markov Decision Process (MDP). The prediction intervals are constructed by applying conformal corrections to prediction intervals computed by quantile regression. The resulting intervals guarantee that with probability $1-\delta$ the observed trajectory will lie inside the prediction interval, where the probability is computed with respect to the starting state distribution and the stochasticity of the MDP. The method is illustrated on MDPs for invasive species management and StarCraft2 battles.