In recent years there has been an increase in the number of scientific papers that suggest using conformal predictions in drug discovery. We consider that some versions of conformal predictions applied in binary settings are embroiled in pitfalls, not obvious at first sight, and that it is important to inform the scientific community about them. In the paper we first introduce the general theory of conformal predictions and follow with an explanation of the versions currently dominant in drug discovery research today. Finally, we provide cases for their critical assessment in binary classification settings.
In the United States and elsewhere, risk assessment algorithms are being used to help inform criminal justice decision-makers. A common intent is to forecast an offender's ``future dangerousness.'' Such algorithms have been correctly criticized for potential unfairness, and there is an active cottage industry trying to make repairs. In this paper, we use counterfactual reasoning to consider the prospects for improved fairness when members of a less privileged group are treated by a risk algorithm as if they are members of a more privileged group. We combine a machine learning classifier traine…
Risk assessment algorithms have been correctly criticized for potential unfairness, and there is an active cottage industry trying to make repairs. In this paper, we adopt a framework from conformal prediction sets to remove unfairness from risk algorithms themselves and the covariates used for forecasting. From a sample of 300,000 offenders at their arraignments, we construct a confusion table and its derived measures of fairness that are effectively free any meaningful differences between Black and White offenders. We also produce fair forecasts for individual offenders coupled with valid pr…
Conformal testing is a way of testing the IID assumption based on conformal prediction. The topic of this note is computational evaluation of the performance of conformal testing in a model situation in which IID binary observations generated from a Bernoulli distribution are followed by IID binary observations generated from another Bernoulli distribution, with the parameters of the distributions and changepoint unknown. Existing conformal test martingales can be used for this task and work well in simple cases, but their efficiency can be improved greatly.
Heinz College of Information Systems and Public Policy, Carnegie Mellon University（卡内基梅隆大学信息系统与公共政策学院）；Saïd Business School, University of Oxford（牛津大学said商学院）
Probability predictions from binary regressions or machine learning methods ought to be calibrated: If an event is predicted to occur with probability $x$, it should materialize with approximately that frequency, which means that the so-called calibration curve $p(\cdot)$ should equal the identity, $p(x) = x$ for all $x$ in the unit interval. We propose honest calibration assessment based on novel confidence bands for the calibration curve, which are valid only subject to the natural assumption of isotonicity. Besides testing the classical goodness-of-fit null hypothesis of perfect calibration…
Risk assessments to help inform criminal justice decisions have been used in the United States since the 1920s. Over the past several years, statistical learning risk algorithms have been introduced amid much controversy about fairness, transparency and accuracy. In this paper, we focus on accuracy for a large department of probation and parole that is considering a major revision of its current, statistical learning risk methods. Because the content of each offender's supervision is substantially shaped by a forecast of subsequent conduct, forecasts have real consequences. Here we consider th…
Paderborn University（帕德博恩大学）；Johannes Kepler University（约翰内斯·开普勒大学）；Technical University Darmstadt（达姆施塔特工业大学）
We advocate the use of conformal prediction (CP) to enhance rule-based multi-label classification (MLC). In particular, we highlight the mutual benefit of CP and rule learning: Rules have the ability to provide natural (non-)conformity scores, which are required by CP, while CP suggests a way to calibrate the assessment of candidate rules, thereby supporting better predictions and more elaborate decision making. We illustrate the potential usefulness of calibrated conformity scores in a case study on lazy multi-label rule learning.
Efficiency criteria for conformal prediction, such as \emph{observed fuzziness} (i.e., the sum of p-values associated with false labels), are commonly used to \emph{evaluate} the performance of given conformal predictors. Here, we investigate whether it is possible to exploit efficiency criteria to \emph{learn} classifiers, both conformal predictors and point classifiers, by using such criteria as training objective functions. The proposed idea is implemented for the problem of binary classification of hand-written digits. By choosing a 1-dimensional model class (with one real-valued free para…
University of Southern California（南加州大学）；Zhejiang University（浙江大学）
This paper develops novel conformal methods to test whether a new observation was sampled from the same distribution as a reference set. Blending inductive and transductive conformal inference in an innovative way, the described methods can re-weight standard conformal p-values based on dependent side information from known out-of-distribution data in a principled way, and can automatically take advantage of the most powerful model from any collection of one-class and binary classifiers. The solution can be implemented either through sample splitting or via a novel transductive cross-validatio…
We present a new method for probabilistic elicitation of expert knowledge using binary responses of human experts assessing simulated data from a statistical model, where the parameters are subject to uncertainty. The binary responses describe either the absolute realism of individual simulations or the relative realism of a pair of simulations in the two alternative versions of out approach. Each version provides a nonparametric representation of the expert belief distribution over the values of a model parameter, without demanding the assertion of any opinion on the parameter values themselv…
