Conformal predictors, introduced by Vovk et al. (2005), serve to build prediction intervals by exploiting a notion of conformity of the new data point with previously observed data. In the present paper, we propose a novel method for constructing prediction intervals for the response variable in multivariate linear models. The main emphasis is on sparse linear models, where only few of the covariates have significant influence on the response variable even if their number is very large. Our approach is based on combining the principle of conformal prediction with the $\ell_1$ penalized least squares estimator (LASSO). The resulting confidence set depends on a parameter $ε>0$ and has a coverage probability larger than or equal to $1-ε$. The numerical experiments reported in the paper show that the length of the confidence set is small. Furthermore, as a by-product of the proposed approach, we provide a data-driven procedure for choosing the LASSO penalty. The selection power of the method is illustrated on simulated data.
This note introduces the method of cross-conformal prediction, which is a hybrid of the methods of inductive conformal prediction and cross-validation, and studies its validity and predictive efficiency empirically.
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…
Institute of Informatics, LMU Munich（慕尼黑大学信息学研究所）；Munich Center for Machine Learning (MCML)（慕尼黑机器学习中心）；Max Planck Institute for Informatics（马克斯·普朗克信息学研究所）
Conventional frequentist learning is known to yield poorly calibrated models that fail to reliably quantify the uncertainty of their decisions. Bayesian learning can improve calibration, but formal guarantees apply only under restrictive assumptions about correct model specification. Conformal prediction (CP) offers a general framework for the design of set predictors with calibration guarantees that hold regardless of the underlying data generation mechanism. However, when training data are limited, CP tends to produce large, and hence uninformative, predicted sets. This paper introduces a no…
In this manuscript, we study quantile regression in partial functional linear model where response is scalar and predictors include both scalars and multiple functions. Wavelet basis are adopted to better approximate functional slopes while effectively detect local features. The sparse group lasso penalty is imposed to select important functional predictors while capture shared information among them. The estimation problem can be reformulated into a standard second-order cone program and then solved by an interior point method. We also give a novel algorithm by using alternating direction met…
In regression analysis of multivariate data, it is tacitly assumed that response and predictor variables in each observed response-predictor pair correspond to the same entity or unit. In this paper, we consider the situation of "permuted data" in which this basic correspondence has been lost. Several recent papers have considered this situation without further assumptions on the underlying permutation. In applications, the latter is often to known to have additional structure that can be leveraged. Specifically, we herein consider the common scenario of "sparsely permuted data" in which only …
Universidade de Lisboa（里斯本大学）；Instituto Superior Técnico（高等技术学院）；Instituto de Medicina Molecular（分子医学研究所）；Hospital de Santa Maria, CHLN（圣玛丽亚医院，CHLN）
Amyotrophic Lateral Sclerosis (ALS) is a neurodegenerative disease characterized by a rapid motor decline, leading to respiratory failure and subsequently to death. In this context, researchers have sought for models to automatically predict disease progression to assisted ventilation in ALS patients. However, the clinical translation of such models is limited by the lack of insight 1) on the risk of error for predictions at patient-level, and 2) on the most adequate time to administer the non-invasive ventilation. To address these issues, we combine Conformal Prediction (a machine learning fr…
Conformal prediction is a method of producing prediction sets that can be applied on top of a wide range of prediction algorithms. The method has a guaranteed coverage probability under the standard IID assumption regardless of whether the assumptions (often considerably more restrictive) of the underlying algorithm are satisfied. However, for the method to be really useful it is desirable that in the case where the assumptions of the underlying algorithm are satisfied, the conformal predictor loses little in efficiency as compared with the underlying algorithm (whereas being a conformal predi…
In this paper, we apply conformal prediction to time series data. Conformal prediction isa method that produces predictive regions given a confidence level. The regions outputs arealways valid under the exchangeability assumption. However, this assumption does not holdfor the time series data because there is a link among past, current, and future observations.Consequently, the challenge of applying conformal predictors to the problem of time seriesdata lies in the fact that observations of a time series are dependent and therefore do notmeet the exchangeability assumption. This paper aims to …
Minimax $L_2$ risks for high-dimensional nonparametric regression are derived under two sparsity assumptions: (1) the true regression surface is a sparse function that depends only on $d=O(\log n)$ important predictors among a list of $p$ predictors, with $\log p=o(n)$; (2) the true regression surface depends on $O(n)$ predictors but is an additive function where each additive component is sparse but may contain two or more interacting predictors and may have a smoothness level different from other components. For either modeling assumption, a practicable extension of the widely used Bayesian …
University of Oxford（牛津大学）；St. Anne’s College（圣安妮学院）
Modern black-box predictive models are often accompanied by weak performance guarantees that only hold asymptotically in the size of the dataset or require strong parametric assumptions. In response to this, split conformal prediction represents a promising avenue to obtain finite-sample guarantees under minimal distribution-free assumptions. Although prediction set validity most often concerns marginal coverage, we explore the related but different guarantee of tolerance regions, reformulating known results in the language of nested prediction sets and extending on the duality between margina…
Conformal prediction methods construct prediction regions for iid data that are valid in finite samples. We provide two parametric conformal prediction regions that are applicable for a wide class of continuous statistical models. This class of statistical models includes generalized linear models (GLMs) with continuous outcomes. Our parametric conformal prediction regions possesses finite sample validity, even when the model is misspecified, and are asymptotically of minimal length when the model is correctly specified. The first parametric conformal prediction region is constructed through b…
While the use of deep learning in drug discovery is gaining increasing attention, the lack of methods to compute reliable errors in prediction for Neural Networks prevents their application to guide decision making in domains where identifying unreliable predictions is essential, e.g. precision medicine. Here, we present a framework to compute reliable errors in prediction for Neural Networks using Test-Time Dropout and Conformal Prediction. Specifically, the algorithm consists of training a single Neural Network using dropout, and then applying it N times to both the validation and test sets,…
Institute of Informatics（信息学研究所）；University of Munich (LMU)（慕尼黑大学（LMU））
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, makin…
In this paper we study the asymptotic normality in high-dimensional linear regression. We focus on the case where the covariance matrix of the regression variables has a KMS structure, in asymptotic settings where the number of predictors, $p$, is proportional to the number of observations, $n$. The main result of the paper is the derivation of the exact asymptotic distribution for the suitably centered and normalized squared norm of the product between predictor matrix, $\mathbb{X}$, and outcome variable, $Y$, i.e. the statistic $\|\mathbb{X}'Y\|_{2}^{2}$. Additionally, we consider a specific…
Motivated by the pressing request of methods able to create prediction sets in a general regression framework for a multivariate functional response and pushed by new methodological advancements in non-parametric prediction for functional data, we propose a set of conformal predictors that produce finite-sample either valid or exact multivariate simultaneous prediction bands under the mild assumption of exchangeable regression pairs. The fact that the prediction bands can be built around any regression estimator and that can be easily found in closed form yields a very widely usable method, wh…
This paper explores conformal prediction in the learning under privileged information (LUPI) paradigm. We use the SVM+ realization of LUPI in an inductive conformal predictor, and apply it to the MNIST benchmark dataset and three datasets in drug discovery. The results show that using privileged information produces valid models and improves efficiency compared to standard SVM, however the improvement varies between the tested datasets and is not substantial in the drug discovery applications. More importantly, using SVM+ in a conformal prediction framework enables valid prediction intervals a…
This paper applies conformal prediction techniques to compute simultaneous prediction bands and clustering trees for functional data. These tools can be used to detect outliers and clusters. Both our prediction bands and clustering trees provide prediction sets for the underlying stochastic process with a guaranteed finite sample behavior, under no distributional assumptions. The prediction sets are also informative in that they correspond to the high density region of the underlying process. While ordinary conformal prediction has high computational cost for functional data, we use the induct…
Confident Object Detection via Conformal Prediction and Conformal Risk Control: an Application to Railway Signaling
Institut de Mathématiques de Toulouse（图卢兹数学研究所）；SNCF（法国国家铁路公司）；Brown University（布朗大学）；Thales AVS France SAS（泰雷兹航空航天系统法国股份有限公司）；IRT Saint Exupéry（圣埃克苏佩里技术研究所）
In this paper, we propose a novel approach to fit a functional linear regression in which both the response and the predictor are functions of a common variable such as time. We consider the case that the response and the predictor processes are both sparsely sampled on random time points and are contaminated with random errors. In addition, the random times are allowed to be different for the measurements of the predictor and the response functions. The aforementioned situation often occurs in the longitudinal data settings. To estimate the covariance and the cross-covariance functions we use…
Uppsala University（乌普萨拉大学）；Royal Holloway, University of London（伦敦大学皇家霍洛威学院）；Stena Line（Stena Line（斯特纳航运））
Conformal Prediction is a machine learning methodology that produces valid prediction regions under mild conditions. In this paper, we explore the application of making predictions over multiple data sources of different sizes without disclosing data between the sources. We propose that each data source applies a transductive conformal predictor independently using the local data, and that the individual predictions are then aggregated to form a combined prediction region. We demonstrate the method on several data sets, and show that the proposed method produces conservatively valid prediction…
We propose a robust method for constructing conditionally valid prediction intervals based on models for conditional distributions such as quantile and distribution regression. Our approach can be applied to important prediction problems including cross-sectional prediction, k-step-ahead forecasts, synthetic controls and counterfactual prediction, and individual treatment effects prediction. Our method exploits the probability integral transform and relies on permuting estimated ranks. Unlike regression residuals, ranks are independent of the predictors, allowing us to construct conditionally …
Methods based on partial least squares (PLS) regression, which has recently gained much attention in the analysis of high-dimensional genomic datasets, have been developed since the early 2000s for performing variable selection. Most of these techniques rely on tuning parameters that are often determined by cross-validation (CV) based methods, which raises important stability issues. To overcome this, we have developed a new dynamic bootstrapbased method for significant predictor selection, suitable for both PLS regression and its incorporation into generalized linear models (GPLS). It relies …
In this paper, we propose methods for functional predictor selection and the estimation of smooth functional coefficients simultaneously in a scalar-on-function regression problem under high-dimensional multivariate functional data setting. In particular, we develop two methods for functional group-sparse regression under a generic Hilbert space of infinite dimension. We show the convergence of algorithms and the consistency of the estimation and the selection (oracle property) under infinite-dimensional Hilbert spaces. Simulation studies show the effectiveness of the methods in both the selec…
Sufficient dimension reduction (SDR) in regression, which reduces the dimension by replacing original predictors with a minimal set of their linear combinations without loss of information, is very helpful when the number of predictors is large. The standard SDR methods suffer because the estimated linear combinations usually consist of all original predictors, making it difficult to interpret. In this paper, we propose a unified method - coordinate-independent sparse estimation (CISE) - that can simultaneously achieve sparse sufficient dimension reduction and screen out irrelevant and redunda…
Predictive inference for time series: why is split conformal effective despite temporal dependence?
Department of Statistics, University of Chicago（芝加哥大学统计系）；Schools of Industrial and Systems Engineering and Electrical and Computer Engineering, Georgia Tech（佐治亚理工学院工业与系统工程及电气与计算机工程学院）
This work focuses on the issue of variable selection in functional regression. Unlike most work in this framework, our approach does not select isolated points in the definition domain of the predictors, nor does it rely on the expansion of the predictors in a given functional basis. It provides an approach to select full intervals made of consecutive points. This feature improves the interpretability of the estimated coefficients and is desirable in the functional framework for which small shifts are frequent when comparing one predictor (curve) to another. Our method is described in a semipa…
We present a new methodology for simultaneous variable selection and parameter estimation in function-on-scalar regression with an ultra-high dimensional predictor vector. We extend the LASSO to functional data in both the $\textit{dense}$ functional setting and the $\textit{sparse}$ functional setting. We provide theoretical guarantees which allow for an exponential number of predictor variables. Simulations are carried out which illustrate the methodology and compare the sparse/functional methods. Using the Framingham Heart Study, we demonstrate how our tools can be used in genome-wide assoc…
Multi-view data have been routinely collected in various fields of science and engineering. A general problem is to study the predictive association between multivariate responses and multi-view predictor sets, all of which can be of high dimensionality. It is likely that only a few views are relevant to prediction, and the predictors within each relevant view contribute to the prediction collectively rather than sparsely. We cast this new problem under the familiar multivariate regression framework and propose an integrative reduced-rank regression (iRRR), where each view has its own low-rank…
We propose a new penalized method for variable selection and estimation that explicitly incorporates the correlation patterns among predictors. This method is based on a combination of the minimax concave penalty and Laplacian quadratic associated with a graph as the penalty function. We call it the sparse Laplacian shrinkage (SLS) method. The SLS uses the minimax concave penalty for encouraging sparsity and Laplacian quadratic penalty for promoting smoothness among coefficients associated with the correlated predictors. The SLS has a generalized grouping property with respect to the graph rep…
Sparse Group LASSO (SGL) is a regularized model for high-dimensional linear regression problems with grouped covariates. SGL applies $l_1$ and $l_2$ penalties on the individual predictors and group predictors, respectively, to guarantee sparse effects both on the inter-group and within-group levels. In this paper, we apply the approximate message passing (AMP) algorithm to efficiently solve the SGL problem under Gaussian random designs. We further use the recently developed state evolution analysis of AMP to derive an asymptotically exact characterization of SGL solution. This allows us to con…
We study the asymptotic properties of Lasso+mLS and Lasso+Ridge under the sparse high-dimensional linear regression model: Lasso selecting predictors and then modified Least Squares (mLS) or Ridge estimating their coefficients. First, we propose a valid inference procedure for parameter estimation based on parametric residual bootstrap after Lasso+mLS and Lasso+Ridge. Second, we derive the asymptotic unbiasedness of Lasso+mLS and Lasso+Ridge. More specifically, we show that their biases decay at an exponential rate and they can achieve the oracle convergence rate of $s/n$ (where $s$ is the num…
