Search

I consider a setting where reviewers offer very noisy scores for several items for the selection of high-quality ones (e.g., peer review of large conference proceedings), whereas the owner of these items knows the true underlying scores but prefers not to provide this information. To address this withholding of information, in this paper, I introduce the Isotonic Mechanism, a simple and efficient approach to improving imprecise raw scores by leveraging certain information that the owner is incentivized to provide. This mechanism takes the ranking of the items from best to worst provided by the owner as input, in addition to the raw scores provided by the reviewers. It reports the adjusted scores for the items by solving a convex optimization problem. Under certain conditions, I show that the owner's optimal strategy is to honestly report the true ranking of the items to her best knowledge in order to maximize the expected utility. Moreover, I prove that the adjusted scores provided by this owner-assisted mechanism are significantly more accurate than the raw scores provided by the reviewers. This paper concludes with several extensions of the Isotonic Mechanism and some refinements of the mechanism for practical consideration., Comment: Corrected typos and added a reference

This note corrects a mistake in the paper "consistent cross-validatory model-selection for dependent data: $hv$-block cross-validation" by Racine (2000). In his paper, he implied that the therein proposed $hv$-block cross-validation is consistent in the sense of Shao (1993). To get this intuition, he relied on the speculation that $hv$-block is a balanced incomplete block design (BIBD). This note demonstrates that this is not the case, and thus the theoretical consistency of $hv$-block remains an open question. In addition, I also provide a Python program counting the number of occurrences of each sample and each pair of samples., Comment: Technique report. 5 pages, 1 figure

With low-cost computing devices, improved sensor technology, and the proliferation of data-driven algorithms, we have more data than we know what to do with. In transportation, we are seeing a surge in spatiotemporal data collection. At the same time, concerns over user privacy have led to research on differential privacy in applied settings. In this paper, we look at some recent developments in differential privacy in the context of spatiotemporal data. Spatiotemporal data contain not only features about users but also the geographical locations of their frequent visits. Hence, the public release of such data carries extreme risks. To address the need for such data in research and inference without exposing private information, significant work has been proposed. This survey paper aims to summarize these efforts and provide a review of differential privacy mechanisms and related software. We also discuss related work in transportation where such mechanisms have been applied. Furthermore, we address the challenges in the deployment and mass adoption of differential privacy in transportation spatiotemporal data for downstream analyses.

[See paper for full abstract] Meta-analysis is a crucial tool for answering scientific questions. It is usually conducted on a relatively small amount of ``trusted'' data -- ideally from randomized, controlled trials -- which allow causal effects to be reliably estimated with minimal assumptions. We show how to answer causal questions much more precisely by making two changes. First, we incorporate untrusted data drawn from large observational databases, related scientific literature and practical experience -- without sacrificing rigor or introducing strong assumptions. Second, we train richer models capable of handling heterogeneous trials, addressing a long-standing challenge in meta-analysis. Our approach is based on conformal prediction, which fundamentally produces rigorous prediction intervals, but doesn't handle indirect observations: in meta-analysis, we observe only noisy effects due to the limited number of participants in each trial. To handle noise, we develop a simple, efficient version of fully-conformal kernel ridge regression, based on a novel condition called idiocentricity. We introduce noise-correcting terms in the residuals and analyze their interaction with a ``variance shaving'' technique. In multiple experiments on healthcare datasets, our algorithms deliver tighter, sounder intervals than traditional ones. This paper charts a new course for meta-analysis and evidence-based medicine, where heterogeneity and untrusted data are embraced for more nuanced and precise predictions., Comment: Full-length version of conference submission

Learning a parametric model from a given dataset indeed enables to capture intrinsic dependencies between random variables via a parametric conditional probability distribution and in turn predict the value of a label variable given observed variables. In this paper, we undertake a comparative analysis of generative and discriminative approaches which differ in their construction and the structure of the underlying inference problem. Our objective is to compare the ability of both approaches to leverage information from various sources in an epistemic uncertainty aware inference via the posterior predictive distribution. We assess the role of a prior distribution, explicit in the generative case and implicit in the discriminative case, leading to a discussion about discriminative models suffering from imbalanced dataset. We next examine the double role played by the observed variables in the generative case, and discuss the compatibility of both approaches with semi-supervised learning. We also provide with practical insights and we examine how the modeling choice impacts the sampling from the posterior predictive distribution. With regard to this, we propose a general sampling scheme enabling supervised learning for both approaches, as well as semi-supervised learning when compatible with the considered modeling approach. Throughout this paper, we illustrate our arguments and conclusions using the example of affine regression, and validate our comparative analysis through classification simulations using neural network based models.

Causal interactions among a group of variables are often modeled by a single causal graph. In some domains, however, these interactions are best described by multiple co-existing causal graphs, e.g., in dynamical systems or genomics. This paper addresses the hitherto unknown role of interventions in learning causal interactions among variables governed by a mixture of causal systems, each modeled by one directed acyclic graph (DAG). Causal discovery from mixtures is fundamentally more challenging than single-DAG causal discovery. Two major difficulties stem from (i) inherent uncertainty about the skeletons of the component DAGs that constitute the mixture and (ii) possibly cyclic relationships across these component DAGs. This paper addresses these challenges and aims to identify edges that exist in at least one component DAG of the mixture, referred to as true edges. First, it establishes matching necessary and sufficient conditions on the size of interventions required to identify the true edges. Next, guided by the necessity results, an adaptive algorithm is designed that learns all true edges using ${\cal O}(n^2)$ interventions, where $n$ is the number of nodes. Remarkably, the size of the interventions is optimal if the underlying mixture model does not contain cycles across its components. More generally, the gap between the intervention size used by the algorithm and the optimal size is quantified. It is shown to be bounded by the cyclic complexity number of the mixture model, defined as the size of the minimal intervention that can break the cycles in the mixture, which is upper bounded by the number of cycles among the ancestors of a node.

Pattern classification in electroencephalography (EEG) signals is an important problem in biomedical engineering since it enables the detection of brain activity, particularly the early detection of epileptic seizures. In this paper, we propose a k-nearest neighbors classification for epileptic EEG signals based on a t-location-scale statistical representation to detect spike-and-waves. The proposed approach is demonstrated on a real dataset containing both spike-and-wave events and normal brain function signals, where our performance is evaluated in terms of classification accuracy, sensitivity, and specificity., Comment: 7 pages, 6 figures, INPROCEEDINGS IEEE paper

This paper investigates the iterates $\hbb^1,\dots,\hbb^T$ obtained from iterative algorithms in high-dimensional linear regression problems, in the regime where the feature dimension $p$ is comparable with the sample size $n$, i.e., $p \asymp n$. The analysis and proposed estimators are applicable to Gradient Descent (GD), proximal GD and their accelerated variants such as Fast Iterative Soft-Thresholding (FISTA). The paper proposes novel estimators for the generalization error of the iterate $\hbb^t$ for any fixed iteration $t$ along the trajectory. These estimators are proved to be $\sqrt n$-consistent under Gaussian designs. Applications to early-stopping are provided: when the generalization error of the iterates is a U-shape function of the iteration $t$, the estimates allow to select from the data an iteration $\hat t$ that achieves the smallest generalization error along the trajectory. Additionally, we provide a technique for developing debiasing corrections and valid confidence intervals for the components of the true coefficient vector from the iterate $\hbb^t$ at any finite iteration $t$. Extensive simulations on synthetic data illustrate the theoretical results.

In this paper, we propose a novel conceptual framework to detect outliers using optimal transport with a concave cost function. Conventional outlier detection approaches typically use a two-stage procedure: first, outliers are detected and removed, and then estimation is performed on the cleaned data. However, this approach does not inform outlier removal with the estimation task, leaving room for improvement. To address this limitation, we propose an automatic outlier rectification mechanism that integrates rectification and estimation within a joint optimization framework. We take the first step to utilize the optimal transport distance with a concave cost function to construct a rectification set in the space of probability distributions. Then, we select the best distribution within the rectification set to perform the estimation task. Notably, the concave cost function we introduced in this paper is the key to making our estimator effectively identify the outlier during the optimization process. We demonstrate the effectiveness of our approach over conventional approaches in simulations and empirical analyses for mean estimation, least absolute regression, and the fitting of option implied volatility surfaces.

This paper explores the use of unstructured, multimodal data, namely text and images, in causal inference and treatment effect estimation. We propose a neural network architecture that is adapted to the double machine learning (DML) framework, specifically the partially linear model. An additional contribution of our paper is a new method to generate a semi-synthetic dataset which can be used to evaluate the performance of causal effect estimation in the presence of text and images as confounders. The proposed methods and architectures are evaluated on the semi-synthetic dataset and compared to standard approaches, highlighting the potential benefit of using text and images directly in causal studies. Our findings have implications for researchers and practitioners in economics, marketing, finance, medicine and data science in general who are interested in estimating causal quantities using non-traditional data.

Mixed multinomial logits are discrete mixtures introduced several decades ago to model the probability of choosing an attribute from $p$ possible candidates, in heterogeneous populations. The model has recently attracted attention in the AI literature, under the name softmax mixtures, where it is routinely used in the final layer of a neural network to map a large number $p$ of vectors in $\mathbb{R}^L$ to a probability vector. Despite its wide applicability and empirical success, statistically optimal estimators of the mixture parameters, obtained via algorithms whose running time scales polynomially in $L$, are not known. This paper provides a solution to this problem for contemporary applications, such as large language models, in which the mixture has a large number $p$ of support points, and the size $N$ of the sample observed from the mixture is also large. Our proposed estimator combines two classical estimators, obtained respectively via a method of moments (MoM) and the expectation-minimization (EM) algorithm. Although both estimator types have been studied, from a theoretical perspective, for Gaussian mixtures, no similar results exist for softmax mixtures for either procedure. We develop a new MoM parameter estimator based on latent moment estimation that is tailored to our model, and provide the first theoretical analysis for a MoM-based procedure in softmax mixtures. Although consistent, MoM for softmax mixtures can exhibit poor numerical performance, as observed other mixture models. Nevertheless, as MoM is provably in a neighborhood of the target, it can be used as warm start for any iterative algorithm. We study in detail the EM algorithm, and provide its first theoretical analysis for softmax mixtures. Our final proposal for parameter estimation is the EM algorithm with a MoM warm start.

One thread of empirical work in social science focuses on decomposing group differences in outcomes into unexplained components and components explained by observable factors. In this paper, we study gender wage decompositions, which require estimating the portion of the gender wage gap explained by career histories of workers. Classical methods for decomposing the wage gap employ simple predictive models of wages which condition on a small set of simple summaries of labor history. The problem is that these predictive models cannot take advantage of the full complexity of a worker's history, and the resulting decompositions thus suffer from omitted variable bias (OVB), where covariates that are correlated with both gender and wages are not included in the model. Here we explore an alternative methodology for wage gap decomposition that employs powerful foundation models, such as large language models, as the predictive engine. Foundation models excel at making accurate predictions from complex, high-dimensional inputs. We use a custom-built foundation model, designed to predict wages from full labor histories, to decompose the gender wage gap. We prove that the way such models are usually trained might still lead to OVB, but develop fine-tuning algorithms that empirically mitigate this issue. Our model captures a richer representation of career history than simple models and predicts wages more accurately. In detail, we first provide a novel set of conditions under which an estimator of the wage gap based on a fine-tuned foundation model is $\sqrt{n}$-consistent. Building on the theory, we then propose methods for fine-tuning foundation models that minimize OVB. Using data from the Panel Study of Income Dynamics, we find that history explains more of the gender wage gap than standard econometric models can measure, and we identify elements of history that are important for reducing OVB.

The focus of this study is to evaluate the effectiveness of Machine Learning (ML) methods for two-sample testing with right-censored observations. To achieve this, we develop several ML-based methods with varying architectures and implement them as two-sample tests. Each method is an ensemble (stacking) that combines predictions from classical two-sample tests. This paper presents the results of training the proposed ML methods, examines their statistical power compared to classical two-sample tests, analyzes the distribution of test statistics for the proposed methods when the null hypothesis is true, and evaluates the significance of the features incorporated into the proposed methods. All results from numerical experiments were obtained from a synthetic dataset generated using the Smirnov transform (Inverse Transform Sampling) and replicated multiple times through Monte Carlo simulation. To test the two-sample problem with right-censored observations, one can use the proposed two-sample methods. All necessary materials (source code, example scripts, dataset, and samples) are available on GitHub and Hugging Face., Comment: 20 pages, 4 figures

Functional data analysis (FDA) and ensemble learning can be powerful tools for analyzing complex environmental time series. Recent literature has highlighted the key role of diversity in enhancing accuracy and reducing variance in ensemble methods.This paper introduces Randomized Spline Trees (RST), a novel algorithm that bridges these two approaches by incorporating randomized functional representations into the Random Forest framework. RST generates diverse functional representations of input data using randomized B-spline parameters, creating an ensemble of decision trees trained on these varied representations. We provide a theoretical analysis of how this functional diversity contributes to reducing generalization error and present empirical evaluations on six environmental time series classification tasks from the UCR Time Series Archive. Results show that RST variants outperform standard Random Forests and Gradient Boosting on most datasets, improving classification accuracy by up to 14\%. The success of RST demonstrates the potential of adaptive functional representations in capturing complex temporal patterns in environmental data. This work contributes to the growing field of machine learning techniques focused on functional data and opens new avenues for research in environmental time series analysis., Comment: 20 pages

Shapley values, a game theoretic concept, has been one of the most popular tools for explaining Machine Learning (ML) models in recent years. Unfortunately, the two most common approaches, conditional and marginal, to calculating Shapley values can lead to different results along with some undesirable side effects when features are correlated. This in turn has led to the situation in the literature where contradictory recommendations regarding choice of an approach are provided by different authors. In this paper we aim to resolve this controversy through the use of causal arguments. We show that the differences arise from the implicit assumptions that are made within each method to deal with missing causal information. We also demonstrate that the conditional approach is fundamentally unsound from a causal perspective. This, together with previous work in [1], leads to the conclusion that the marginal approach should be preferred over the conditional one., Comment: 10 pages, 5 figures

This paper introduces the Inside-Out Nested Particle Filter (IO-NPF), a novel, fully recursive, algorithm for amortized sequential Bayesian experimental design in the non-exchangeable setting. We frame policy optimization as maximum likelihood estimation in a non-Markovian state-space model, achieving (at most) $\mathcal{O}(T^2)$ computational complexity in the number of experiments. We provide theoretical convergence guarantees and introduce a backward sampling algorithm to reduce trajectory degeneracy. IO-NPF offers a practical, extensible, and provably consistent approach to sequential Bayesian experimental design, demonstrating improved efficiency over existing methods.

This paper proposes three types of Bayesian CART (or BCART) models for aggregate claim amount, namely, frequency-severity models, sequential models and joint models. We propose a general framework for the BCART models applicable to data with multivariate responses, which is particularly useful for the joint BCART models with a bivariate response: the number of claims and aggregate claim amount. To facilitate frequency-severity modeling, we investigate BCART models for the right-skewed and heavy-tailed claim severity data by using various distributions. We discover that the Weibull distribution is superior to gamma and lognormal distributions, due to its ability to capture different tail characteristics in tree models. Additionally, we find that sequential BCART models and joint BCART models, which incorporate dependence between the number of claims and average severity, are beneficial and thus preferable to the frequency-severity BCART models in which independence is assumed. The effectiveness of these models' performance is illustrated by carefully designed simulations and real insurance data.

In this paper we show how to exploit interventional data to acquire the joint conditional distribution of all the variables using the Maximum Entropy principle. To this end, we extend the Causal Maximum Entropy method to make use of interventional data in addition to observational data. Using Lagrange duality, we prove that the solution to the Causal Maximum Entropy problem with interventional constraints lies in the exponential family, as in the Maximum Entropy solution. Our method allows us to perform two tasks of interest when marginal interventional distributions are provided for any subset of the variables. First, we show how to perform causal feature selection from a mixture of observational and single-variable interventional data, and, second, how to infer joint interventional distributions. For the former task, we show on synthetically generated data, that our proposed method outperforms the state-of-the-art method on merging datasets, and yields comparable results to the KCI-test which requires access to joint observations of all variables., Comment: Duality Principles for Modern Machine Learning workshop at ICML 2023, 2nd and 3rd author equal contribution

The phase retrieval problem in the presence of noise aims to recover the signal vector of interest from a set of quadratic measurements with infrequent but arbitrary corruptions, and it plays an important role in many scientific applications. However, the essential geometric structure of the nonconvex robust phase retrieval based on the $\ell_1$-loss is largely unknown to study spurious local solutions, even under the ideal noiseless setting, and its intrinsic nonsmooth nature also impacts the efficiency of optimization algorithms. This paper introduces the smoothed robust phase retrieval (SRPR) based on a family of convolution-type smoothed loss functions. Theoretically, we prove that the SRPR enjoys a benign geometric structure with high probability: (1) under the noiseless situation, the SRPR has no spurious local solutions, and the target signals are global solutions, and (2) under the infrequent but arbitrary corruptions, we characterize the stationary points of the SRPR and prove its benign landscape, which is the first landscape analysis of phase retrieval with corruption in the literature. Moreover, we prove the local linear convergence rate of gradient descent for solving the SRPR under the noiseless situation. Experiments on both simulated datasets and image recovery are provided to demonstrate the numerical performance of the SRPR., Comment: 32 pages, 8 figures

Estimating causal effect using machine learning (ML) algorithms can help to relax functional form assumptions if used within appropriate frameworks. However, most of these frameworks assume settings with cross-sectional data, whereas researchers often have access to panel data, which in traditional methods helps to deal with unobserved heterogeneity between units. In this paper, we explore how we can adapt double/debiased machine learning (DML) (Chernozhukov et al., 2018) for panel data in the presence of unobserved heterogeneity. This adaptation is challenging because DML's cross-fitting procedure assumes independent data and the unobserved heterogeneity is not necessarily additively separable in settings with nonlinear observed confounding. We assess the performance of several intuitively appealing estimators in a variety of simulations. While we find violations of the cross-fitting assumptions to be largely inconsequential for the accuracy of the effect estimates, many of the considered methods fail to adequately account for the presence of unobserved heterogeneity. However, we find that using predictive models based on the correlated random effects approach (Mundlak, 1978) within DML leads to accurate coefficient estimates across settings, given a sample size that is large relative to the number of observed confounders. We also show that the influence of the unobserved heterogeneity on the observed confounders plays a significant role for the performance of most alternative methods.

We study the sample complexity of the Sign-Perturbed Sums (SPS) method, which constructs exact, non-asymptotic confidence regions for the true system parameters under mild statistical assumptions, such as independent and symmetric noise terms. The standard version of SPS deals with linear regression problems, however, it can be generalized to stochastic linear (dynamical) systems, even with closed-loop setups, and to nonlinear and nonparametric problems, as well. Although the strong consistency of the method was rigorously proven, the sample complexity of the algorithm was only analyzed so far for scalar linear regression problems. In this paper we study the sample complexity of SPS for general linear regression problems. We establish high probability upper bounds for the diameters of SPS confidence regions for finite sample sizes and show that the SPS regions shrink at the same, optimal rate as the classical asymptotic confidence ellipsoids. Finally, the difference between the theoretical bounds and the empirical sizes of SPS confidence regions is investigated experimentally.

This paper introduces a novel supervised classification strategy that integrates functional data analysis (FDA) with tree-based methods, addressing the challenges of high-dimensional data and enhancing the classification performance of existing functional classifiers. Specifically, we propose augmented versions of functional classification trees and functional random forests, incorporating a new tool for assessing the importance of functional principal components. This tool provides an ad-hoc method for determining unbiased permutation feature importance in functional data, particularly when dealing with correlated features derived from successive derivatives. Our study demonstrates that these additional features can significantly enhance the predictive power of functional classifiers. Experimental evaluations on both real-world and simulated datasets showcase the effectiveness of the proposed methodology, yielding promising results compared to existing methods., Comment: 33 pages

The advent of big data has raised significant challenges in analysing high-dimensional datasets across various domains such as medicine, ecology, and economics. Functional Data Analysis (FDA) has proven to be a robust framework for addressing these challenges, enabling the transformation of high-dimensional data into functional forms that capture intricate temporal and spatial patterns. However, despite advancements in functional classification methods and very high performance demonstrated by combining FDA and ensemble methods, a critical gap persists in the literature concerning the transparency and interpretability of black-box models, e.g. Functional Random Forests (FRF). In response to this need, this paper introduces a novel suite of explainability tools to illuminate the inner mechanisms of FRF. We propose using Functional Partial Dependence Plots (FPDPs), Functional Principal Component (FPC) Probability Heatmaps, various model-specific and model-agnostic FPCs' importance metrics, and the FPC Internal-External Importance and Explained Variance Bubble Plot. These tools collectively enhance the transparency of FRF models by providing a detailed analysis of how individual FPCs contribute to model predictions. By applying these methods to an ECG dataset, we demonstrate the effectiveness of these tools in revealing critical patterns and improving the explainability of FRF., Comment: 33 pages

This paper analyzes the statistical performance of a robust spectral clustering method for latent structure recovery in noisy data matrices. We consider eigenvector-based clustering applied to a matrix of nonparametric rank statistics that is derived entrywise from the raw, original data matrix. This approach is robust in the sense that, unlike traditional spectral clustering procedures, it can provably recover population-level latent block structure even when the observed data matrix includes heavy-tailed entries and has a heterogeneous variance profile. Our main theoretical contributions are threefold and hold under flexible data generating conditions. First, we establish that robust spectral clustering with rank statistics can consistently recover latent block structure, viewed as communities of nodes in a graph, in the sense that unobserved community memberships for all but a vanishing fraction of nodes are correctly recovered with high probability when the data matrix is large. Second, we refine the former result and further establish that, under certain conditions, the community membership of any individual, specified node of interest can be asymptotically exactly recovered with probability tending to one in the large-data limit. Third, we establish asymptotic normality results associated with the truncated eigenstructure of matrices whose entries are rank statistics, made possible by synthesizing contemporary entrywise matrix perturbation analysis with the classical nonparametric theory of so-called simple linear rank statistics. Collectively, these results demonstrate the statistical utility of rank-based data transformations when paired with spectral techniques for dimensionality reduction. Additionally, for a dataset of human connectomes, our approach yields parsimonious dimensionality reduction and improved recovery of ground-truth neuroanatomical cluster structure., Comment: 82 pages, 8 figures, 1 table

Ranking and selection (R&S) conventionally aims to select the unique best alternative with the largest mean performance from a finite set of alternatives. However, for better supporting decision making, it may be more informative to deliver a small menu of alternatives whose mean performances are among the top $m$. Such problem, called optimal subset selection (OSS), is generally more challenging to address than the conventional R&S. This challenge becomes even more significant when the number of alternatives is considerably large. Thus, the focus of this paper is on addressing the large-scale OSS problem. To achieve this goal, we design a top-$m$ greedy selection mechanism that keeps sampling the current top $m$ alternatives with top $m$ running sample means and propose the explore-first top-$m$ greedy (EFG-$m$) procedure. Through an extended boundary-crossing framework, we prove that the EFG-$m$ procedure is both sample optimal and consistent in terms of the probability of good selection, confirming its effectiveness in solving large-scale OSS problem. Surprisingly, we also demonstrate that the EFG-$m$ procedure enables to achieve an indifference-based ranking within the selected subset of alternatives at no extra cost. This is highly beneficial as it delivers deeper insights to decision-makers, enabling more informed decision-makings. Lastly, numerical experiments validate our results and demonstrate the efficiency of our procedures.

In this paper, we provide a novel Model-free approach based on Deep Neural Network (DNN) to accomplish point prediction and prediction interval under a general regression setting. Usually, people rely on parametric or non-parametric models to bridge dependent and independent variables (Y and X). However, this classical method relies heavily on the correct model specification. Even for the non-parametric approach, some additive form is often assumed. A newly proposed Model-free prediction principle sheds light on a prediction procedure without any model assumption. Previous work regarding this principle has shown better performance than other standard alternatives. Recently, DNN, one of the machine learning methods, has received increasing attention due to its great performance in practice. Guided by the Model-free prediction idea, we attempt to apply a fully connected forward DNN to map X and some appropriate reference random variable Z to Y. The targeted DNN is trained by minimizing a specially designed loss function so that the randomness of Y conditional on X is outsourced to Z through the trained DNN. Our method is more stable and accurate compared to other DNN-based counterparts, especially for optimal point predictions. With a specific prediction procedure, our prediction interval can capture the estimation variability so that it can render a better coverage rate for finite sample cases. The superior performance of our method is verified by simulation and empirical studies.

Goodness-of-fit testing is often criticized for its lack of practical relevance; since ``all models are wrong'', the null hypothesis that the data conform to our model is ultimately always rejected when the sample size is large enough. Despite this, probabilistic models are still used extensively, raising the more pertinent question of whether the model is good enough for a specific task. This question can be formalized as a robust goodness-of-fit testing problem by asking whether the data were generated by a distribution corresponding to our model up to some mild perturbation. In this paper, we show that existing kernel goodness-of-fit tests are not robust according to common notions of robustness including qualitative and quantitative robustness. We also show that robust techniques based on tilted kernels from the parameter estimation literature are not sufficient for ensuring both types of robustness in the context of goodness-of-fit testing. We therefore propose the first robust kernel goodness-of-fit test which resolves this open problem using kernel Stein discrepancy balls, which encompass perturbation models such as Huber contamination models and density uncertainty bands., Comment: 51 pages, 14 figures

In causal inference, encouragement designs (EDs) are widely used to analyze causal effects, when randomized controlled trials (RCTs) are impractical or compliance to treatment cannot be perfectly enforced. Unlike RCTs, which directly allocate treatments, EDs randomly assign encouragement policies that positively motivate individuals to engage in a specific treatment. These random encouragements act as instrumental variables (IVs), facilitating the identification of causal effects through leveraging exogenous perturbations in discrete treatment scenarios. However, real-world applications of encouragement designs often face challenges such as incomplete randomization, limited experimental data, and significantly fewer encouragements compared to treatments, hindering precise causal effect estimation. To address this, this paper introduces novel theories and algorithms for identifying the Conditional Average Treatment Effect (CATE) using variations in encouragement. Further, by leveraging both observational and encouragement data, we propose a generalized IV estimator, named Encouragement-based Counterfactual Regression (EnCounteR), to effectively estimate the causal effects. Extensive experiments on both synthetic and real-world datasets demonstrate the superiority of EnCounteR over existing methods.

In this paper we propose an extension of the classical Sobol' estimator for the estimation of variance based sensitivity indices. The approach assumes a linear correlation model between the input variables which is used to decompose the contribution of an input variable into a correlated and an uncorrelated part. This method provides sampling matrices following the original joint probability distribution which are used directly to compute the model output without any assumptions or approximations of the model response function., Comment: presented at 5th International Conference on Reliable Engineering Computing (REC), Brno, Czech Republic, 13-15 June, 2012

In real case applications within the virtual prototyping process, it is not always possible to reduce the complexity of the physical models and to obtain numerical models which can be solved quickly. Usually, every single numerical simulation takes hours or even days. Although the progresses in numerical methods and high performance computing, in such cases, it is not possible to explore various model configurations, hence efficient surrogate models are required. Generally the available meta-model techniques show several advantages and disadvantages depending on the investigated problem. In this paper we present an automatic approach for the selection of the optimal suitable meta-model for the actual problem. Together with an automatic reduction of the variable space using advanced filter techniques an efficient approximation is enabled also for high dimensional problems. This filter techniques enable a reduction of the high dimensional variable space to a much smaller subspace where meta-model-based sensitivity analyses are carried out to assess the influence of important variables and to identify the optimal subspace with corresponding surrogate model which enables the most accurate probabilistic analysis. For this purpose we investigate variance-based and moment-free sensitivity measures in combination with advanced meta-models as moving least squares and kriging., Comment: presented at 8th Optimization and Stochastic Days, Weimar, Germany, 24-25 November, 2011

This paper introduces a new addition to the SPINEX (Similarity-based Predictions with Explainable Neighbors Exploration) family, tailored specifically for time series and forecasting analysis. This new algorithm leverages the concept of similarity and higher-order temporal interactions across multiple time scales to enhance predictive accuracy and interpretability in forecasting. To evaluate the effectiveness of SPINEX, we present comprehensive benchmarking experiments comparing it against 18 algorithms and across 49 synthetic and real datasets characterized by varying trends, seasonality, and noise levels. Our performance assessment focused on forecasting accuracy and computational efficiency. Our findings reveal that SPINEX consistently ranks among the top 5 performers in forecasting precision and has a superior ability to handle complex temporal dynamics compared to commonly adopted algorithms. Moreover, the algorithm's explainability features, Pareto efficiency, and medium complexity (on the order of O(log n)) are demonstrated through detailed visualizations to enhance the prediction and decision-making process. We note that integrating similarity-based concepts opens new avenues for research in predictive analytics, promising more accurate and transparent decision making.

As service systems grow increasingly complex and dynamic, many interventions become localized, available and taking effect only in specific states. This paper investigates experiments with local treatments on a widely-used class of dynamic models, Markov Decision Processes (MDPs). Particularly, we focus on utilizing the local structure to improve the inference efficiency of the average treatment effect. We begin by demonstrating the efficiency of classical inference methods, including model-based estimation and temporal difference learning under a fixed policy, as well as classical A/B testing with general treatments. We then introduce a variance reduction technique that exploits the local treatment structure by sharing information for states unaffected by the treatment policy. Our new estimator effectively overcomes the variance lower bound for general treatments while matching the more stringent lower bound incorporating the local treatment structure. Furthermore, our estimator can optimally achieve a linear reduction with the number of test arms for a major part of the variance. Finally, we explore scenarios with perfect knowledge of the control arm and design estimators that further improve inference efficiency.

Representing and quantifying Minimal Residual Disease (MRD) in Acute Myeloid Leukemia (AML), a type of cancer that affects the blood and bone marrow, is essential in the prognosis and follow-up of AML patients. As traditional cytological analysis cannot detect leukemia cells below 5\%, the analysis of flow cytometry dataset is expected to provide more reliable results. In this paper, we explore statistical learning methods based on optimal transport (OT) to achieve a relevant low-dimensional representation of multi-patient flow cytometry measurements (FCM) datasets considered as high-dimensional probability distributions. Using the framework of OT, we justify the use of the K-means algorithm for dimensionality reduction of multiple large-scale point clouds through mean measure quantization by merging all the data into a single point cloud. After this quantization step, the visualization of the intra and inter-patients FCM variability is carried out by embedding low-dimensional quantized probability measures into a linear space using either Wasserstein Principal Component Analysis (PCA) through linearized OT or log-ratio PCA of compositional data. Using a publicly available FCM dataset and a FCM dataset from Bordeaux University Hospital, we demonstrate the benefits of our approach over the popular kernel mean embedding technique for statistical learning from multiple high-dimensional probability distributions. We also highlight the usefulness of our methodology for low-dimensional projection and clustering patient measurements according to their level of MRD in AML from FCM. In particular, our OT-based approach allows a relevant and informative two-dimensional representation of the results of the FlowSom algorithm, a state-of-the-art method for the detection of MRD in AML using multi-patient FCM.

This paper focuses on the analysis of sequential image data, particularly brain imaging data such as MRI, fMRI, CT, with the motivation of understanding the brain aging process and neurodegenerative diseases. To achieve this goal, we investigate image generation in a time series context. Specifically, we formulate a min-max problem derived from the $f$-divergence between neighboring pairs to learn a time series generator in a nonparametric manner. The generator enables us to generate future images by transforming prior lag-k observations and a random vector from a reference distribution. With a deep neural network learned generator, we prove that the joint distribution of the generated sequence converges to the latent truth under a Markov and a conditional invariance condition. Furthermore, we extend our generation mechanism to a panel data scenario to accommodate multiple samples. The effectiveness of our mechanism is evaluated by generating real brain MRI sequences from the Alzheimer's Disease Neuroimaging Initiative. These generated image sequences can be used as data augmentation to enhance the performance of further downstream tasks, such as Alzheimer's disease detection., Comment: 45 pages

This paper proposes two split-and-conquer (SC) learning estimators for finite mixture models that are tolerant to Byzantine failures. In SC learning, individual machines obtain local estimates, which are then transmitted to a central server for aggregation. During this communication, the server may receive malicious or incorrect information from some local machines, a scenario known as Byzantine failures. While SC learning approaches have been devised to mitigate Byzantine failures in statistical models with Euclidean parameters, developing Byzantine-tolerant methods for finite mixture models with non-Euclidean parameters requires a distinct strategy. Our proposed distance-based methods are hyperparameter tuning free, unlike existing methods, and are resilient to Byzantine failures while achieving high statistical efficiency. We validate the effectiveness of our methods both theoretically and empirically via experiments on simulated and real data from machine learning applications for digit recognition. The code for the experiment can be found at https://github.com/SarahQiong/RobustSCGMM.

This paper presents an integrated perspective on robustness in regression. Specifically, we examine the relationship between traditional outlier-resistant robust estimation and robust optimization, which focuses on parameter estimation resistant to imaginary dataset-perturbations. While both are commonly regarded as robust methods, these concepts demonstrate a bias-variance trade-off, indicating that they follow roughly converse strategies., Comment: 17pages, 16figures

We consider the challenging problem of estimating causal effects from purely observational data in the bi-directional Mendelian randomization (MR), where some invalid instruments, as well as unmeasured confounding, usually exist. To address this problem, most existing methods attempt to find proper valid instrumental variables (IVs) for the target causal effect by expert knowledge or by assuming that the causal model is a one-directional MR model. As such, in this paper, we first theoretically investigate the identification of the bi-directional MR from observational data. In particular, we provide necessary and sufficient conditions under which valid IV sets are correctly identified such that the bi-directional MR model is identifiable, including the causal directions of a pair of phenotypes (i.e., the treatment and outcome). Moreover, based on the identification theory, we develop a cluster fusion-like method to discover valid IV sets and estimate the causal effects of interest. We theoretically demonstrate the correctness of the proposed algorithm. Experimental results show the effectiveness of our method for estimating causal effects in bi-directional MR., Comment: 27 pages, 6 tables, 7 figures

We study the problem of restricting a Markov equivalence class of maximal ancestral graphs (MAGs) to only those MAGs that contain certain edge marks, which we refer to as expert knowledge. Such a restriction of the Markov equivalence class can be uniquely represented by a restricted essential ancestral graph. Our contributions are several-fold. First, we prove certain properties for the entire Markov equivalence class including a conjecture from Ali et al. (2009). Second, we present several new sound graphical orientation rules for adding expert knowledge to an essential ancestral graph. We also show that some orientation rules of Zhang (2008b) are not needed for restricting the Markov equivalence class with expert knowledge. Third, we provide an algorithm for including this expert knowledge and show that in certain settings the output of our algorithm is a restricted essential ancestral graph. Finally, outside of the specified settings, we provide an algorithm for checking whether a graph is a restricted essential graph and discuss its runtime. This work can be seen as a generalization of Meek (1995) to settings which allow for latent confounding., Comment: 83 pages (main paper 23 pages, supplementary material 60 pages), 20 figures, 7 algorithms, 3 tables

Given the ubiquity of modularity in biological systems, module-level regulation analysis is vital for understanding biological systems across various levels and their dynamics. Current statistical analysis on biological modules predominantly focuses on either detecting the functional modules in biological networks or sub-group regression on the biological features without using the network data. This paper proposes a novel network-based neighborhood regression framework whose regression functions depend on both the global community-level information and local connectivity structures among entities. An efficient community-wise least square optimization approach is developed to uncover the strength of regulation among the network modules while enabling asymptotic inference. With random graph theory, we derive non-asymptotic estimation error bounds for the proposed estimator, achieving exact minimax optimality. Unlike the root-n consistency typical in canonical linear regression, our model exhibits linear consistency in the number of nodes n, highlighting the advantage of incorporating neighborhood information. The effectiveness of the proposed framework is further supported by extensive numerical experiments. Application to whole-exome sequencing and RNA-sequencing Autism datasets demonstrates the usage of the proposed method in identifying the association between the gene modules of genetic variations and the gene modules of genomic differential expressions.

In this paper, we present an information-theoretic method for clustering mixed-type data, that is, data consisting of both continuous and categorical variables. The method is a variant of the Deterministic Information Bottleneck algorithm which optimally compresses the data while retaining relevant information about the underlying structure. We compare the performance of the proposed method to that of three well-established clustering methods (KAMILA, K-Prototypes, and Partitioning Around Medoids with Gower's dissimilarity) on simulated and real-world datasets. The results demonstrate that the proposed approach represents a competitive alternative to conventional clustering techniques under specific conditions., Comment: Accepted at the 18th conference of the International Federation of Classification Societies (IFCS)

Differentially private (DP) machine learning algorithms incur many sources of randomness, such as random initialization, random batch subsampling, and shuffling. However, such randomness is difficult to take into account when proving differential privacy bounds because it induces mixture distributions for the algorithm's output that are difficult to analyze. This paper focuses on improving privacy bounds for shuffling models and one-iteration differentially private gradient descent (DP-GD) with random initializations using $f$-DP. We derive a closed-form expression of the trade-off function for shuffling models that outperforms the most up-to-date results based on $(\epsilon,\delta)$-DP. Moreover, we investigate the effects of random initialization on the privacy of one-iteration DP-GD. Our numerical computations of the trade-off function indicate that random initialization can enhance the privacy of DP-GD. Our analysis of $f$-DP guarantees for these mixture mechanisms relies on an inequality for trade-off functions introduced in this paper. This inequality implies the joint convexity of $F$-divergences. Finally, we study an $f$-DP analog of the advanced joint convexity of the hockey-stick divergence related to $(\epsilon,\delta)$-DP and apply it to analyze the privacy of mixture mechanisms.

In recent years, transfer learning has garnered significant attention in the machine learning community. Its ability to leverage knowledge from related studies to improve generalization performance in a target study has made it highly appealing. This paper focuses on investigating the transfer learning problem within the context of nonparametric regression over a reproducing kernel Hilbert space. The aim is to bridge the gap between practical effectiveness and theoretical guarantees. We specifically consider two scenarios: one where the transferable sources are known and another where they are unknown. For the known transferable source case, we propose a two-step kernel-based estimator by solely using kernel ridge regression. For the unknown case, we develop a novel method based on an efficient aggregation algorithm, which can automatically detect and alleviate the effects of negative sources. This paper provides the statistical properties of the desired estimators and establishes the minimax optimal rate. Through extensive numerical experiments on synthetic data and real examples, we validate our theoretical findings and demonstrate the effectiveness of our proposed method.

This paper presents a comprehensive exploration of the theoretical properties inherent in the Adaptive Lasso and the Transfer Lasso. The Adaptive Lasso, a well-established method, employs regularization divided by initial estimators and is characterized by asymptotic normality and variable selection consistency. In contrast, the recently proposed Transfer Lasso employs regularization subtracted by initial estimators with the demonstrated capacity to curtail non-asymptotic estimation errors. A pivotal question thus emerges: Given the distinct ways the Adaptive Lasso and the Transfer Lasso employ initial estimators, what benefits or drawbacks does this disparity confer upon each method? This paper conducts a theoretical examination of the asymptotic properties of the Transfer Lasso, thereby elucidating its differentiation from the Adaptive Lasso. Informed by the findings of this analysis, we introduce a novel method, one that amalgamates the strengths and compensates for the weaknesses of both methods. The paper concludes with validations of our theory and comparisons of the methods via simulation experiments.

Linear latent variable models such as principal component analysis (PCA), independent component analysis (ICA), canonical correlation analysis (CCA), and factor analysis (FA) identify latent directions (or loadings) either ordered or unordered. The data is then projected onto the latent directions to obtain their projected representations (or scores). For example, PCA solvers usually rank the principal directions by explaining the most to least variance, while ICA solvers usually return independent directions unordered and often with single sources spread across multiple directions as multiple sub-sources, which is of severe detriment to their usability and interpretability. This paper proposes a general framework to enhance latent space representations for improving the interpretability of linear latent spaces. Although the concepts in this paper are language agnostic, the framework is written in Python. This framework automates the clustering and ranking of latent vectors to enhance the latent information per latent vector, as well as, the interpretation of latent vectors. Several innovative enhancements are incorporated including latent ranking (LR), latent scaling (LS), latent clustering (LC), and latent condensing (LCON). For a specified linear latent variable model, LR ranks latent directions according to a specified metric, LS scales latent directions according to a specified metric, LC automatically clusters latent directions into a specified number of clusters, while, LCON automatically determines an appropriate number of clusters into which to condense the latent directions for a given metric. Additional functionality of the framework includes single-channel and multi-channel data sources, data preprocessing strategies such as Hankelisation to seamlessly expand the applicability of linear latent variable models (LLVMs) to a wider variety of data. The effectiveness of LR, LS, and LCON are showcased on two crafted foundational problems with two applied latent variable models, namely, PCA and ICA., Comment: 15 pages, 5 figures, to be submitted SoftwareX

Conditional validity and length efficiency are two crucial aspects of conformal prediction (CP). Achieving conditional validity ensures accurate uncertainty quantification for data subpopulations, while proper length efficiency ensures that the prediction sets remain informative and non-trivial. Despite significant efforts to address each of these issues individually, a principled framework that reconciles these two objectives has been missing in the CP literature. In this paper, we develop Conformal Prediction with Length-Optimization (CPL) - a novel framework that constructs prediction sets with (near-) optimal length while ensuring conditional validity under various classes of covariate shifts, including the key cases of marginal and group-conditional coverage. In the infinite sample regime, we provide strong duality results which indicate that CPL achieves conditional validity and length optimality. In the finite sample regime, we show that CPL constructs conditionally valid prediction sets. Our extensive empirical evaluations demonstrate the superior prediction set size performance of CPL compared to state-of-the-art methods across diverse real-world and synthetic datasets in classification, regression, and text-related settings.

Optimal experimental design is a well studied field in applied science and engineering. Techniques for estimating such a design are commonly used within the framework of parameter estimation. Nonetheless, in recent years parameter estimation techniques are changing rapidly with the introduction of deep learning techniques to replace traditional estimation methods. This in turn requires the adaptation of optimal experimental design that is associated with these new techniques. In this paper we investigate a new experimental design methodology that uses deep learning. We show that the training of a network as a Likelihood Free Estimator can be used to significantly simplify the design process and circumvent the need for the computationally expensive bi-level optimization problem that is inherent in optimal experimental design for non-linear systems. Furthermore, deep design improves the quality of the recovery process for parameter estimation problems. As proof of concept we apply our methodology to two different systems of Ordinary Differential Equations.

This paper establishes the generalization error of pooled min-$\ell_2$-norm interpolation in transfer learning where data from diverse distributions are available. Min-norm interpolators emerge naturally as implicit regularized limits of modern machine learning algorithms. Previous work characterized their out-of-distribution risk when samples from the test distribution are unavailable during training. However, in many applications, a limited amount of test data may be available during training, yet properties of min-norm interpolation in this setting are not well-understood. We address this gap by characterizing the bias and variance of pooled min-$\ell_2$-norm interpolation under covariate and model shifts. The pooled interpolator captures both early fusion and a form of intermediate fusion. Our results have several implications: under model shift, for low signal-to-noise ratio (SNR), adding data always hurts. For higher SNR, transfer learning helps as long as the shift-to-signal (SSR) ratio lies below a threshold that we characterize explicitly. By consistently estimating these ratios, we provide a data-driven method to determine: (i) when the pooled interpolator outperforms the target-based interpolator, and (ii) the optimal number of target samples that minimizes the generalization error. Under covariate shift, if the source sample size is small relative to the dimension, heterogeneity between between domains improves the risk, and vice versa. We establish a novel anisotropic local law to achieve these characterizations, which may be of independent interest in random matrix theory. We supplement our theoretical characterizations with comprehensive simulations that demonstrate the finite-sample efficacy of our results., Comment: 53 pages, 2 figures

AI systems are notorious for their fragility; minor input changes can potentially cause major output swings. When such systems are deployed in critical areas like finance, the consequences of their uncertain behavior could be severe. In this paper, we focus on multi-modal time-series forecasting, where imprecision due to noisy or incorrect data can lead to erroneous predictions, impacting stakeholders such as analysts, investors, and traders. Recently, it has been shown that beyond numeric data, graphical transformations can be used with advanced visual models to achieve better performance. In this context, we introduce a rating methodology to assess the robustness of Multi-Modal Time-Series Forecasting Models (MM-TSFM) through causal analysis, which helps us understand and quantify the isolated impact of various attributes on the forecasting accuracy of MM-TSFM. We apply our novel rating method on a variety of numeric and multi-modal forecasting models in a large experimental setup (six input settings of control and perturbations, ten data distributions, time series from six leading stocks in three industries over a year of data, and five time-series forecasters) to draw insights on robust forecasting models and the context of their strengths. Within the scope of our study, our main result is that multi-modal (numeric + visual) forecasting, which was found to be more accurate than numeric forecasting in previous studies, can also be more robust in diverse settings. Our work will help different stakeholders of time-series forecasting understand the models` behaviors along trust (robustness) and accuracy dimensions to select an appropriate model for forecasting using our rating method, leading to improved decision-making.

Distribution-free prediction sets play a pivotal role in uncertainty quantification for complex statistical models. Their validity hinges on reliable calibration data, which may not be readily available as real-world environments often undergo unknown changes over time. In this paper, we propose a strategy for choosing an adaptive window and use the data therein to construct prediction sets. The window is selected by optimizing an estimated bias-variance tradeoff. We provide sharp coverage guarantees for our method, showing its adaptivity to the underlying temporal drift. We also illustrate its efficacy through numerical experiments on synthetic and real data., Comment: 25 pages, 4 figures, 6 tables

Accurately predicting conditional average treatment effects (CATEs) is crucial in personalized medicine and digital platform analytics. Since often the treatments of interest cannot be directly randomized, observational data is leveraged to learn CATEs, but this approach can incur significant bias from unobserved confounding. One strategy to overcome these limitations is to seek latent quasi-experiments in instrumental variables (IVs) for the treatment, for example, a randomized intent to treat or a randomized product recommendation. This approach, on the other hand, can suffer from low compliance, i.e., IV weakness. Some subgroups may even exhibit zero compliance meaning we cannot instrument for their CATEs at all. In this paper we develop a novel approach to combine IV and observational data to enable reliable CATE estimation in the presence of unobserved confounding in the observational data and low compliance in the IV data, including no compliance for some subgroups. We propose a two-stage framework that first learns biased CATEs from the observational data, and then applies a compliance-weighted correction using IV data, effectively leveraging IV strength variability across covariates. We characterize the convergence rates of our method and validate its effectiveness through a simulation study. Additionally, we demonstrate its utility with real data by analyzing the heterogeneous effects of 401(k) plan participation on wealth., Comment: 20 pages, 3 figures