Machine Learning (Statistics) · Cross-listed from cs.LG
Predicting Mycotoxin Contamination in Irish Oats Using Deep and Transfer Learning
Alan Inglis, Fiona Doohan, Subramani Natarajan et al. (+13 more)
Mycotoxin contamination poses a significant risk to cereal crop quality, food safety, and agricultural productivity. Accurate prediction of mycotoxin levels can support early intervention strategies and reduce economic losses. This study investigates the use of neural networks and transfer learning models to predict mycotoxin contamination in Irish oat crops as a multi-response prediction task. Our
dataset comprises oat samples collected in Ireland, containing a mix of environmental, agronomic, and geographical predictors. Five modelling approaches were evaluated: a baseline multilayer perceptron (MLP), an MLP with pre-training, and three transfer learning models; TabPFN, TabNet, and FT-
Transformer. Model performance was evaluated using regression (RMSE, $R^2$) and classification (AUC, F1) metrics, with results reported per toxin and on average. Additionally, permutation-based variable importance analysis was conducted to identify the most influential predictors across both prediction tasks. The transfer learning approach TabPFN provided the overall best performance, followed by the baseline MLP. Our variable importance analysis revealed that weather history patterns in the 90-day pre-harvest period were the most important predictors, alongside seed moisture content.
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All authors Alan Inglis, Fiona Doohan, Subramani Natarajan, Breige McNulty, Chris Elliott, Anne Nugent, Julie Meneely, Brett Greer, Stephen Kildea, Diana Bucur, Martin Danaher, Melissa Di Rocco, Lisa Black, Adam Gauley, Naoise McKenna, Andrew Parnell
Statistical Methodology
Improving optimal subsampling through stratification
Jasper B. Yang, Thomas Lumley, Bryan E. Shepherd et al. (+1 more)
Recent works have proposed optimal subsampling
algorithms to improve computational efficiency in large
datasets and to design validation studies in the presence of measurement error. Existing approaches generally fall into two categories: (i) designs that optimize individualized sampling rules, where unit-specific probabilities are assigned and applied independently, and (ii) designs based on stratified sampling with simple random sampling within strata. Focusing on the logistic regression setting, we derive the asymptotic variances of
estimators under both approaches and compare them numerically through extensive simulations and an application to data from the Vanderbilt Comprehensive Care Clinic cohort. Our results reinforce that stratified sampling is not merely an approximation to individualized sampling, showing instead that optimal stratified designs are often more efficient than optimal individualized designs through their elimination of between-stratum contributions to variance. These findings suggest that optimizing over the class of individualized sampling rules overlooks highly efficient sampling designs and highlight the often underappreciated advantages of stratified sampling.
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All authors Jasper B. Yang, Thomas Lumley, Bryan E. Shepherd, Pamela A. Shaw
Statistics Applications · Cross-listed from eess.SP
The Area Signal-to-Noise Ratio: A Robust Alternative to Peak-Based SNR in Spectroscopic Analysis
Alex Yu, Huaqing Zhao and Lin Z. Li
In spectroscopic analysis, the peak-based signal-to-noise ratio (pSNR) is commonly used but suffers from limitations such as sensitivity to noise spikes and reduced effectiveness for broader peaks. We introduce the area-based signal-to-noise ratio (aSNR) as a robust alternative that integrates the signal over a defined region of interest, reducing noise variance and improving detection for various lineshapes. We used Monte Carlo simulations (n=2,000 trials per condition) to test aSNR on Gaussian, Lorentzian, and Voigt lineshapes. We found that aSNR requires significantly lower amplitudes than pSNR to achieve a 50% detection probability. Receiver operating characteristic (ROC) curves show that aSNR performs better than pSNR at low amplitudes. Our results show that aSNR works especially advantageously for broad peaks and could be extended to volume-based SNR for multidimensional spectra.
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Statistics Theory · Cross-listed from math.FA
Optimal Algorithms for Nonlinear Estimation with Convex Models
Simon Foucart
A linear functional of an object from a convex symmetric set can be optimally estimated, in a worst-case sense, by a linear functional of observations made on the object. This well-known fact is extended here to a nonlinear setting: other simple functionals of the object can be optimally estimated by functionals of the observations that share a similar simple structure. This is established for the maximum of several linear functionals and even for the $\ell$th largest among them. Proving the latter requires an unusual refinement of the analytical Hahn–
Banach theorem. The existence results are accompanied by practical recipes relying on convex optimization to construct the desired functionals, thereby justifying the term of estimation
algorithms.
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Machine Learning (Statistics)
Weighted MCC: A Robust Measure of Multiclass Classifier Performance for Observations with Individual Weights
Rommel Cortez and Bala Krishnamoorthy
Several performance measures are used to evaluate binary and multiclass classification tasks. But individual observations may often have distinct weights, and none of these measures are sensitive to such varying weights. We propose a new weighted Pearson-Matthews Correlation Coefficient (MCC) for binary classification as well as weighted versions of related multiclass measures. The weighted MCC varies between $-1$ and $1$. But crucially, the weighted MCC values are higher for classifiers that perform better on highly weighted observations, and hence is able to distinguish them from classifiers that have a similar overall performance and ones that perform better on the lowly weighted observations. Furthermore, we prove that the weighted measures are robust with respect to the choice of weights in a precise manner: if the weights are changed by at most $\epsilon$, the value of the weighted measure changes at most by a factor of $\epsilon$ in the binary case and by a factor of $\epsilon^2$ in the multiclass case. Our computations demonstrate that the weighted measures clearly identify classifiers that perform better on higher weighted observations, while the unweighted measures remain completely indifferent to the choices of weights.
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Statistical Methodology
The Whittle likelihood for mixed models with application to groundwater level time series
Jakub J. Pypkowski, Adam M. Sykulski, James S. Martin et al. (+1 more)
Understanding the processes that influence groundwater levels is crucial for
forecasting and responding to hazards such as groundwater droughts. Mixed models, which combine a fixed mean, expressed using independent predictors, with autocorrelated random errors, are used for inference,
forecasting and filling in missing values in groundwater level time series. Estimating parameters of mixed models using maximum likelihood has high computational complexity. For large
datasets, this leads to restrictive simplifying assumptions such as fixing certain free parameters in practical implementations. In this paper, we propose a method to jointly estimate all parameters of mixed models using the Whittle likelihood, a frequency-domain quasi-likelihood. Our method is robust to missing and non-Gaussian data and can handle much larger data sizes. We demonstrate the utility of our method both in a simulation study and with real-world data, comparing against maximum likelihood and an alternative two-stage approach that estimates fixed and random effect parameters separately.
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All authors Jakub J. Pypkowski, Adam M. Sykulski, James S. Martin, Ben P. Marchant
Statistics Theory · Cross-listed from cs.LG
Subgroup Discovery with the Cox Model
Zachary Izzo and Iain Melvin
We study the problem of subgroup discovery for survival analysis, where the goal is to find an interpretable subset of the data on which a Cox model is highly accurate. Our work is the first to study this particular subgroup problem, for which we make several contributions. Subgroup discovery methods generally require a "quality function" in order to sift through and select the most advantageous subgroups. We first examine why existing natural choices for quality functions are insufficient to solve the subgroup discovery problem for the Cox model. To address the shortcomings of existing metrics, we introduce two technical innovations: the *expected prediction
entropy (EPE)*, a novel metric for evaluating survival models which predict a hazard function; and the *conditional rank statistics (CRS)*, a statistical object which quantifies the deviation of an individual point to the distribution of survival times in an existing subgroup. We study the EPE and CRS theoretically and show that they can solve many of the problems with existing metrics. We introduce a total of eight
algorithms for the Cox subgroup discovery problem. The main
algorithm is able to take advantage of both the EPE and the CRS, allowing us to give theoretical correctness results for this
algorithm in a well-specified setting. We evaluate all of the proposed methods empirically on both synthetic and real data. The experiments confirm our theory, showing that our contributions allow for the recovery of a ground-truth subgroup in well-specified cases, as well as leading to better model fit compared to naively fitting the Cox model to the whole
dataset in practical settings. Lastly, we conduct a case study on jet engine simulation data from NASA. The discovered subgroups uncover known nonlinearities/homogeneity in the data, and which suggest design choices which have been mirrored in practice.
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Statistics Applications
Algorithmic Bias in Lending: Evidence from a Fintech Audit
Madison Coots, Robert Bartlett, Julian Nyarko et al. (+1 more)
Algorithmic lending has transformed the consumer credit landscape, with machine learning models commonly facilitating underwriting decisions. To comply with fair lending laws, these
algorithms exclude legally protected characteristics, such as race and gender. Yet algorithmic underwriting can still inadvertently favor certain groups, prompting concerns about whether lending
algorithms exhibit discriminatory behavior. Using proprietary loan-level data from a major U.S. fintech platform, we audit lending decisions across approximately 80,000 personal loans. We find that loans made to men and Black borrowers yielded lower profits than loans to other groups, suggesting that men and Black borrowers benefited from relatively favorable pricing. We trace these disparities to miscalibration in the platform's underwriting model, which overestimates risk for women and underestimates risk for Black borrowers. We then show that one could correct this miscalibration – and the corresponding disparities – by including race and gender in underwriting models, illustrating a tension between competing notions of
fairness.
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All authors Madison Coots, Robert Bartlett, Julian Nyarko, Sharad Goel
Machine Learning (Statistics) · Cross-listed from math.OC
Random Gradient-Free Optimization in Infinite Dimensional Spaces
Caio Peixoto, Daniel Csillag, Bernardo F. P. da Costa et al. (+1 more)
We propose a new gradient-free method for infinite-dimensional optimization in
Hilbert spaces that requires only the computation of directional derivatives. Though functional optimization is often solved through finite-dimensional gradient descent over a parametrization, such as neural networks, we instead propose to leverage the functional nature of the optimization problem to enable provable guarantees. However, infinite-dimensional gradients are often hard to compute in practice, rendering naïve functional gradient descent intractable. To overcome this limitation, our framework leverages only directional derivatives and a pre-basis for the
Hilbert space, i.e., a linearly independent set whose span is dense. This resolves the tractability issue, as pre-bases are much more accessible than full orthonormal bases or reproducing kernels – which may not even exist – and individual directional derivatives can be computed using automatic differentiation. We showcase the use of our method to solve partial differential equations à la physics-informed neural networks (PINNs), where it effectively enables provable convergence.
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All authors Caio Peixoto, Daniel Csillag, Bernardo F. P. da Costa, Yuri F. Saporito
Machine Learning (Statistics)
Shallow Neural Networks Learn Low-Degree Spherical Polynomials with Feature Learning by Learnable Channel Attention
Yingzhen Yang
We study the problem of learning a low-degree spherical
polynomial of degree $\ell_0 = \Theta(1) \ge 1$ defined on the unit sphere in $\RR^d$ by training an over-parameterized two-layer neural network (NN) with channel
attention in this paper. Our main result is the significantly improved sample complexity for learning such low-degree
polynomials. We show that, for any regression risk $\eps \in (0,1)$, a carefully designed two-layer NN with channel
attention and finite width trained by the vanilla gradient descent (GD) requires the lowest sample complexity of $n \asymp \Theta(d^{\ell_0}/\eps)$ with high probability, in contrast with the representative sample complexity $\Theta\pth{d^{\ell_0} \max\set{\eps^{-2},\log d}}$, where $n$ is the training data size. Moreover, such sample complexity is not improvable since the trained network renders a sharp rate of the nonparametric regression risk of the order $\Theta(d^{\ell_0}/{n})$ with high probability. On the other hand, the minimax optimal rate for the regression risk with a kernel of rank $\Theta(d^{\ell_0})$ is $\Theta(d^{\ell_0}/{n})$, so that the rate of the nonparametric regression risk of the network trained by GD is minimax optimal. Training the two-layer NN with channel
attention proceeds in two stages: (1) a provable learnable channel selection
algorithm, as a learnable harmonic-degree selection process, identifies the ground truth channel number in the target function, $\ell_0$, from $L \ge \ell_0$ channels in the first-layer activation; (2) the second layer is trained by standard GD using the selected channels. To the best of our knowledge, this is the first time a minimax optimal risk bound is obtained by training an over-parameterized but finite-width neural network with feature learning capability to learn low-degree spherical
polynomials.
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Machine Learning (Statistics) · Cross-listed from cs.IT
Information-theoretic signatures of causality in Bayesian networks and hypergraphs
Sung En Chiang, Zhaolu Liu, Robert L. Peach et al. (+1 more)
Analyzing causality in multivariate systems involves establishing how information is generated, distributed and combined. Traditional causal discovery frameworks are capable of multivariate
reasoning but their intrinsic pairwise graph
topology restricts them to do so only indirectly by integrating multivariate information across pairwise edges. Higher-order information theory provides direct tools that can explicitly model higher-order interactions. In particular, Partial Information Decomposition (PID) allows the decomposition of the information that a set of sources provides about a target into redundant, unique, and synergistic components. Yet the mathematical connection between such higher-order information-theoretic measures and causal structure remains undeveloped. Here we establish the first theoretical correspondence between PID components and causal structure in both
Bayesian networks and hypergraphs. We first show that in
Bayesian networks unique information precisely characterizes direct causal neighbors, while synergy identifies
collider relationships. This establishes a localist causal discovery paradigm in which the structure surrounding each variable can be recovered from its immediate informational footprint, eliminating the need for global search over graph space. Extending these results to more expressive causal representation, we prove that PID signatures in
Bayesian hypergraphs differentiate parents, children, co-heads, and co-tails, revealing a novel
collider effect unique to multi-tail hyperedges. Our results position PID as a rigorous, model-agnostic foundation for inferring both pairwise and higher-order causal structure, and introduce a fundamentally local information-theoretic viewpoint on causal discovery.
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All authors Sung En Chiang, Zhaolu Liu, Robert L. Peach, Mauricio Barahona
Statistics Theory · Cross-listed from econ.EM
ScoreMatchingRiesz: Score Matching for Debiased Machine Learning and Policy Path Estimation
Masahiro Kato
We propose ScoreMatchingRiesz, a family of Riesz representer
estimators based on score matching. The Riesz representer is a key nuisance component in debiased machine learning, enabling $\sqrt{n}$-consistent and asymptotically efficient estimation of causal and structural targets via Neyman-orthogonal scores. We formulate Riesz representer estimation as a score estimation problem. This perspective stabilizes representer estimation by allowing us to leverage denoising score matching and telescoping density ratio estimation. We also introduce the policy path, a parameter that captures how policy effects evolve under continuous treatments. We show that the policy path can be estimated via score matching by smoothly connecting average marginal effect (AME) and average policy effect (APE) estimation, which improves the interpretability of policy effects.
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Statistics Theory
$L^2-$posterior contraction rates for Gaussian process and random series priors in Bayesian nonparametric regression models
Paul Rosa
The nonparametric regression model with normal errors has been extensively studied, both from the frequentist and
Bayesian viewpoint. A central result in
Bayesian nonparametrics is that under assumptions on the prior, the data-generating distribution (assuming a true frequentist model) and a semi-metric $\rho(.,.)$ on the space of regression functions that satisfy the so called testing condition, the posterior contracts around the true distribution with respect to $\rho(.,.)$, and the rate of contraction can be estimated. In the regression setting, the semi-metric $\rho(.,.)$ is often taken to be the Hellinger distance or the empirical $L^2$ norm (i.e., the $L^2$ norm with respect to the empirical distribution of the design) in the present regression context. However, extending contraction rates to the “integrated" $L^2$ norm usually requires more work, and has previously been done for instance under sufficient smoothness or boundedness assumptions, which may not necessarily hold. In this work we show that, for classes of priors based on random basis expansions or Gaussian processes with RKHS of Sobolev type and in the random design setting, such $L^2$ posterior contraction rates can be obtained under substantially weaker assumptions than those currently used in the literature. Importantly we do not require a known a priori upper bound on its supremum norm or that its smoothness is larger than $d/2$, where $d$ is the dimension of the
covariates. Our proof crucially relies on an application of the
matrix Bernstein concentration inequality to empirical inner product
matrices, which require explicit upper bounds on the basis functions at hand that we prove in several cases of interest. In particular we obtain upper bounds on the supremum norm of Mercer eigenfunctions of several reproducing kernels (including several Matérn kernels) which are of independent interest.
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Statistics Applications · Cross-listed from q-fin.ST
Switching between states and the COVID-19 turbulence
Ilias Aarab
In Aarab (2020), I examine U.S. stock return predictability across economic regimes and document evidence of time-varying expected returns across
market states in the long run. The analysis introduces a state-switching specification in which the
market state is proxied by the slope of the yield curve, and proposes an Aligned Economic Index built from the popular predictors of Welch and Goyal (2008) (augmented with bond and equity premium measures). The Aligned Economic Index under the state-switching model exhibits statistically and economically meaningful in-sample ($R^2 = 5.9\%$) and out-of-sample ($R^2_{\text{oos}} = 4.12\%$) predictive power across both recessions and expansions, while outperforming a range of widely used predictors. In this work, I examine the added value for professional practitioners by computing the economic gains for a mean-variance investor and find substantial added benefit of using the new index under the state switching model across all
market states. The Aligned Economic Index can thus be implemented on a consistent real-time basis. These findings are crucial for both academics and practitioners as expansions are much longer-lived than recessions. Finally, I extend the empirical exercises by incorporating data through September 2020 and document sizable gains from using the Aligned Economic Index, relative to more traditional approaches, during the COVID-19
market turbulence.
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Statistics Applications · Cross-listed from q-fin.ST
The Aligned Economic Index & The State Switching Model
Ilias Aarab
A growing empirical literature suggests that equity-premium predictability is state dependent, with much of the
forecasting power concentrated around recessionary periods (Henkel et al., 2011; Dangl and Halling, 2012; Devpura et al., 2018). I study U.S. stock return predictability across economic regimes and document strong evidence of time-varying expected returns across both expansionary and contractionary states. I contribute in two ways. First, I introduce a state-switching predictive regression in which the
market state is defined in real time using the slope of the yield curve. Relative to the standard one-state predictive regression, the state-switching specification increases both in-sample and out-of-sample performance for the set of popular predictors considered by Welch and Goyal (2008), improving the out-of-sample performance of most predictors in economically meaningful ways. Second, I propose a new aggregate predictor, the Aligned Economic Index, constructed via partial least squares (PLS). Under the state-switching model, the Aligned Economic Index exhibits statistically and economically significant predictive power in sample and out of sample, and it outperforms widely used
benchmark predictors and alternative predictor-combination methods.
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Statistical Methodology
Projection depth for functional data: Theoretical properties
Filip Bočinec, Stanislav Nagy and Hyemin Yeon
We introduce a novel projection depth for data lying in a general
Hilbert space, called the regularized projection depth, with a focus on functional data. By regularizing projection directions, the proposed depth does not suffer from the degeneracy issue that may arise when the classical projection depth is naively defined on an infinite-dimensional space. Compared to existing functional depth notions, the regularized projection depth has several advantages: (i) it requires no moment assumptions on the underlying distribution, (ii) it satisfies many desirable depth properties including invariance, monotonicity, and vanishing at infinity, (iii) its sample version uniformly converges under mild conditions, and (iv) it generates a highly robust median. Furthermore, the proposed depth is statistically useful as it (v) does not produce ties in the induced ranks and (vi) effectively detects shape outlying functions. This paper focuses mainly on the theoretical properties of the regularized projection depth.
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Machine Learning (Statistics) · Cross-listed from cs.CV
High Dimensional Data Decomposition for Anomaly Detection of Textured Images
Ji Song, Xing Wang, Jianguo Wu et al. (+1 more)
In the realm of diverse high-dimensional data, images play a significant role across various processes of manufacturing systems where efficient image anomaly detection has emerged as a core technology of utmost importance. However, when applied to textured defect images, conventional anomaly detection methods have limitations including non-negligible misidentification, low robustness, and excessive reliance on large-scale and structured
datasets. This paper proposes a texture basis integrated smooth decomposition (TBSD) approach, which is targeted at efficient anomaly detection in textured images with smooth backgrounds and sparse anomalies. Mathematical formulation of quasi-periodicity and its theoretical properties are investigated for image texture estimation. TBSD method consists of two principal processes: the first process learns the texture basis functions to effectively extract quasi-periodic texture patterns; the subsequent anomaly detection process utilizes that texture basis as prior knowledge to prevent texture misidentification and capture potential anomalies with high accuracy.The proposed method surpasses
benchmarks with less misidentification, smaller training
dataset requirement, and superior anomaly detection performance on both simulation and real-world
datasets.
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All authors Ji Song, Xing Wang, Jianguo Wu, Xiaowei Yue
Statistics Applications
Topic-informed dynamic mixture model for occupational heterogeneity in health risk behaviors
Lorenzo Schiavon, Mattia Stival, Angela Andreella et al. (+1 more)
Behavioral risk factors, i.e., smoking, poor nutrition, alcohol misuse, and physical inactivity (SNAP), are leading contributors to chronic diseases and healthcare costs worldwide. Their prevalence is shaped %not only by demographic characteristics %but and also by contextual ones such as socioeconomic and occupational environments. In this study, we leverage data from the Italian health and behavioral surveillance system PASSI to model SNAP behaviors through a
Bayesian framework that integrates textual information on occupations. We use Structural Topic Modeling (STM) to cluster free-text job descriptions into latent occupational groups, which inform mixture weights in a multivariate ordered probit model.
Covariate effects are allowed to vary across occupational clusters and evolve over time. To enhance interpretability and variable selection, we impose non-local spike-and-slab priors on regression coefficients. Finally, an online learning
algorithm based on sequential Monte Carlo enables efficient updating as new data become available. This dynamic, scalable, and interpretable approach permits observing how occupational contexts modulate the impact of socio-demographic factors on health behaviors, providing valuable insights for targeted public health interventions.
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All authors Lorenzo Schiavon, Mattia Stival, Angela Andreella, Stefano Campostrini
Statistical Methodology
Generalized method of L-moment estimation for stationary and nonstationary extreme value models
Yonggwan Shin, Yire Shin, Jihong Park et al. (+1 more)
Precisely estimating out-of-sample upper
quantiles is very important in risk assessment and in engineering practice for structural design to prevent a greater disaster. For this purpose, the generalized extreme value (GEV) distribution has been broadly used. To estimate the parameters of GEV distribution, the maximum likelihood estimation (MLE) and L-moment estimation (LME) methods have been primarily employed. For a better estimation using the MLE, several studies considered the generalized MLE (penalized likelihood or
Bayesian) methods to cooperate with a penalty function or prior information for parameters. However, a generalized LME method for the same purpose has not been developed yet in the literature. We thus propose the generalized method of L-moment estimation (GLME) to cooperate with a penalty function or prior information. The proposed estimation is based on the generalized L-moment distance and a multivariate normal likelihood approximation. Because the L-moment
estimator is more efficient and robust for small samples than the MLE, we reasonably expect the advantages of LME to continue to hold for GLME. The proposed method is applied to the stationary and nonstationary GEV models with two novel (data-adaptive) penalty functions to correct the bias of LME. A simulation study indicates that the biases of LME are considerably corrected by the GLME with slight increases in the standard error. Applications to US flood damage data and maximum rainfall at Phliu Agromet in Thailand illustrate the usefulness of the proposed method. This study may promote further work on penalized or
Bayesian inferences based on L-moments.
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All authors Yonggwan Shin, Yire Shin, Jihong Park, Jeong-Soo Park