Derivatives play an important role in bandwidth selection methods (e.g., plug-ins), data analysis and bias-corrected confidence intervals. Therefore, obtaining accurate derivative information is crucial. Although many derivative estimation methods exist, the majority require a fixed design assumption. In this paper, we propose an effective and fully data-driven framework to estimate the first and second order derivative in random design. We establish the asymptotic properties of the proposed derivative estimator, and also propose a fast selection method for the tuning parameters. The performance and flexibility of the method is illustrated via an extensive simulation study.

Tree data are ubiquitous because they model a large variety of situations, e.g., the architecture of plants, the secondary structure of RNA, or the hierarchy of XML files. Nevertheless, the analysis of these non-Euclidean data is difficult per se. In this paper, we focus on the subtree kernel that is a convolution kernel for tree data introduced by Vishwanathan and Smola in the early 2000's. More precisely, we investigate the influence of the weight function from a theoretical perspective and in real data applications. We establish on a 2-classes stochastic model that the performance of the subtree kernel is improved when the weight of leaves vanishes, which motivates the definition of a new weight function, learned from the data and not fixed by the user as usually done. To this end, we define a unified framework for computing the subtree kernel from ordered or unordered trees, that is particularly suitable for tuning parameters. We show through eight real data classification problems the great efficiency of our approach, in particular for small data sets, which also states the high importance of the weight function. Finally, a visualization tool of the significant features is derived.

This paper considers a new identifiability condition for additive noise models (ANMs) in which each variable is determined by an arbitrary Borel measurable function of its parents plus an independent error. It has been shown that ANMs are fully recoverable under some identifiability conditions, such as when all error variances are equal. However, this identifiable condition could be restrictive, and hence, this paper focuses on a relaxed identifiability condition that involves not only error variances, but also the influence of parents. This new class of identifiable ANMs does not put any constraints on the form of dependencies, or distributions of errors, and allows different error variances. It further provides a statistically consistent and computationally feasible structure learning algorithm for the identifiable ANMs based on the new identifiability condition. The proposed algorithm assumes that all relevant variables are observed, while it does not assume faithfulness or a sparse graph. Demonstrated through extensive simulated and real multivariate data is that the proposed algorithm successfully recovers directed acyclic graphs.

Jun Zhang, Yujie Gai, Xia Cui, Gaorong Li.

Source: Brazilian Journal of Probability and Statistics, Volume 34, Number 2, 370--393.

Abstract:
This paper studies the measure of symmetry or asymmetry of a continuous variable under the multiplicative distortion measurement errors setting. The unobservable variable is distorted in a multiplicative fashion by an observed confounding variable. First, two direct plug-in estimation procedures are proposed, and the empirical likelihood based confidence intervals are constructed to measure the symmetry or asymmetry of the unobserved variable. Next, we propose four test statistics for testing whether the unobserved variable is symmetric or not. The asymptotic properties of the proposed estimators and test statistics are examined. We conduct Monte Carlo simulation experiments to examine the performance of the proposed estimators and test statistics. These methods are applied to analyze a real dataset for an illustration.

Raj Kamal Maurya, Yogesh Mani Tripathi.

Source: Brazilian Journal of Probability and Statistics, Volume 34, Number 2, 345--369.

Abstract:
We consider estimation of the multicomponent stress-strength reliability under progressive Type II censoring under the assumption that stress and strength variables follow Burr XII distributions with a common shape parameter. Maximum likelihood estimates of the reliability are obtained along with asymptotic intervals when common shape parameter may be known or unknown. Bayes estimates are also derived under the squared error loss function using different approximation methods. Further, we obtain exact Bayes and uniformly minimum variance unbiased estimates of the reliability for the case common shape parameter is known. The highest posterior density intervals are also obtained. We perform Monte Carlo simulations to compare the performance of proposed estimates and present a discussion based on this study. Finally, two real data sets are analyzed for illustration purposes.

Uttam Bandyopadhyay, Shirsendu Mukherjee, Atanu Biswas.

Source: Brazilian Journal of Probability and Statistics, Volume 34, Number 2, 291--303.

Abstract:
In adaptive crossover design, our goal is to allocate more patients to a promising treatment sequence. The present work contains a very simple three period crossover design for two competing treatments where the allocation in period 3 is done on the basis of the data obtained from the first two periods. Assuming normality of response variables we use a reliability functional for the choice between two treatments. We calculate the allocation proportions and their standard errors corresponding to the possible treatment combinations. We also derive some asymptotic results and provide solutions on related inferential problems. Moreover, the proposed procedure is compared with a possible competitor. Finally, we use a data set to illustrate the applicability of the proposed design.

Mohsen Maleki, Arezo Hajrajabi, Reinaldo B. Arellano-Valle.

Source: Brazilian Journal of Probability and Statistics, Volume 34, Number 2, 273--290.

Abstract:
In this paper, we study the finite mixtures of autoregressive processes assuming that the distribution of innovations (errors) belongs to the class of scale mixture of skew-normal (SMSN) distributions. The SMSN distributions allow a simultaneous modeling of the existence of outliers, heavy tails and asymmetries in the distribution of innovations. Therefore, a statistical methodology based on the SMSN family allows us to use a robust modeling on some non-linear time series with great flexibility, to accommodate skewness, heavy tails and heterogeneity simultaneously. The existence of convenient hierarchical representations of the SMSN distributions facilitates also the implementation of an ECME-type of algorithm to perform the likelihood inference in the considered model. Simulation studies and the application to a real data set are finally presented to illustrate the usefulness of the proposed model.

Zhengwei Liu, Qi Li, Fukang Zhu.

Source: Brazilian Journal of Probability and Statistics, Volume 34, Number 2, 251--272.

Abstract:
To predict time series of counts with small values and remarkable fluctuations, an available model is the $r$ states random environment process based on the negative binomial thinning operator and the geometric marginal. However, we argue that the aforementioned model may suffer from the following two drawbacks. First, under the condition of no prior information, the overdispersed property of the geometric distribution may cause the predictions fluctuate greatly. Second, because of the constraints on the model parameters, some estimated parameters are close to zero in real-data examples, which may not objectively reveal the correlation relationship. For the first drawback, an $r$ states random environment process based on the binomial thinning operator and the Poisson marginal is introduced. For the second drawback, we propose a generalized $r$ states random environment integer-valued autoregressive model based on the binomial thinning operator to model fluctuations of data. Yule–Walker and conditional maximum likelihood estimates are considered and their performances are assessed via simulation studies. Two real-data sets are conducted to illustrate the better performances of the proposed models compared with some existing models.

Dan J. Spitzner.

Source: Brazilian Journal of Probability and Statistics, Volume 33, Number 4, 861--893.

Abstract:
This article proposes a calibration scheme for Bayesian testing that coordinates analytically-derived statistical performance considerations with expert opinion. In other words, the scheme is effective and meaningful for incorporating objective elements into subjective Bayesian inference. It explores a novel role for default priors as anchors for calibration rather than substitutes for prior knowledge. Ideas are developed for use with multiplicity adjustments in multiple-model contexts, and to address the issue of prior sensitivity of Bayes factors. Along the way, the performance properties of an existing multiplicity adjustment related to the Poisson distribution are clarified theoretically. Connections of the overall calibration scheme to the Schwarz criterion are also explored. The proposed framework is examined and illustrated on a number of existing data sets related to problems in clinical trials, forensic pattern matching, and log-linear models methodology.

Marco A. R. Ferreira.

Source: Brazilian Journal of Probability and Statistics, Volume 33, Number 4, 734--744.

Abstract:
We study the limiting behavior of the one-at-a-time Gibbs sampler for the intrinsic conditional autoregressive model with centering on the fly. The intrinsic conditional autoregressive model is widely used as a prior for random effects in hierarchical models for spatial modeling. This model is defined by full conditional distributions that imply an improper joint “density” with a multivariate Gaussian kernel and a singular precision matrix. To guarantee propriety of the posterior distribution, usually at the end of each iteration of the Gibbs sampler the random effects are centered to sum to zero in what is widely known as centering on the fly. While this works well in practice, this informal computational way to recenter the random effects obscures their implied prior distribution and prevents the development of formal Bayesian procedures. Here we show that the implied prior distribution, that is, the limiting distribution of the one-at-a-time Gibbs sampler for the intrinsic conditional autoregressive model with centering on the fly is a singular Gaussian distribution with a covariance matrix that is the Moore–Penrose inverse of the precision matrix. This result has important implications for the development of formal Bayesian procedures such as reference priors and Bayes-factor-based model selection for spatial models.

Salem M. Al-Gezeri, Robert G. Aykroyd.

Source: Brazilian Journal of Probability and Statistics, Volume 33, Number 3, 498--519.

Abstract:
The use of Markov random field (MRF) models has proven to be a fruitful approach in a wide range of image processing applications. It allows local texture information to be incorporated in a systematic and unified way and allows statistical inference theory to be applied giving rise to novel output summaries and enhanced image interpretation. A great advantage of such low-level approaches is that they lead to flexible models, which can be applied to a wide range of imaging problems without the need for significant modification. This paper proposes and explores the use of conditional MRF models for situations where multiple images are to be processed simultaneously, or where only a single image is to be reconstructed and a sequential approach is taken. Although the coupling of image intensity values is a special case of our approach, the main extension over previous proposals is to allow the direct coupling of other properties, such as smoothness or texture. This is achieved using a local modulating function which adjusts the influence of global smoothing without the need for a fully inhomogeneous prior model. Several modulating functions are considered and a detailed simulation study, motivated by remote sensing applications in archaeological geophysics, of conditional reconstruction is presented. The results demonstrate that a substantial improvement in the quality of the image reconstruction, in terms of errors and residuals, can be achieved using this approach, especially at locations with rapid changes in the underlying intensity.

Daniel Ahlberg.

Source: Brazilian Journal of Probability and Statistics, Volume 33, Number 2, 397--401.

Abstract:
We study the rate of convergence in the celebrated Shape Theorem in first-passage percolation, obtaining the precise asymptotic rate of decay for the probability of linear order deviations under a moment condition. Our results are presented from a temporal perspective and complement previous work by the same author, in which the rate of convergence was studied from the standard spatial perspective.

Kushal K. Dey, Sourabh Bhattacharya.

Source: Brazilian Journal of Probability and Statistics, Volume 33, Number 2, 222--266.

Abstract:
Transformation based Markov Chain Monte Carlo (TMCMC) was proposed by Dutta and Bhattacharya ( Statistical Methodology 16 (2014) 100–116) as an efficient alternative to the Metropolis–Hastings algorithm, especially in high dimensions. The main advantage of this algorithm is that it simultaneously updates all components of a high dimensional parameter using appropriate move types defined by deterministic transformation of a single random variable. This results in reduction in time complexity at each step of the chain and enhances the acceptance rate. In this paper, we first provide a brief review of the optimal scaling theory for various existing MCMC approaches, comparing and contrasting them with the corresponding TMCMC approaches.The optimal scaling of the simplest form of TMCMC, namely additive TMCMC , has been studied extensively for the Gaussian proposal density in Dey and Bhattacharya (2017a). Here, we discuss diffusion-based optimal scaling behavior of additive TMCMC for non-Gaussian proposal densities—in particular, uniform, Student’s $t$ and Cauchy proposals. Although we could not formally prove our diffusion result for the Cauchy proposal, simulation based results lead us to conjecture that at least the recipe for obtaining general optimal scaling and optimal acceptance rate holds for the Cauchy case as well. We also consider diffusion based optimal scaling of TMCMC when the target density is discontinuous. Such non-regular situations have been studied in the case of Random Walk Metropolis Hastings (RWMH) algorithm by Neal and Roberts ( Methodology and Computing in Applied Probability 13 (2011) 583–601) using expected squared jumping distance (ESJD), but the diffusion theory based scaling has not been considered. We compare our diffusion based optimally scaled TMCMC approach with the ESJD based optimally scaled RWM with simulation studies involving several target distributions and proposal distributions including the challenging Cauchy proposal case, showing that additive TMCMC outperforms RWMH in almost all cases considered.

John J. Dziak, Donna L. Coffman, Matthew Reimherr, Justin Petrovich, Runze Li, Saul Shiffman, Mariya P. Shiyko.

Source: Statistics Surveys, Volume 13, 150--180.

Abstract:
Researchers are sometimes interested in predicting a distal or external outcome (such as smoking cessation at follow-up) from the trajectory of an intensively recorded longitudinal variable (such as urge to smoke). This can be done in a semiparametric way via scalar-on-function regression. However, the resulting fitted coefficient regression function requires special care for correct interpretation, as it represents the joint relationship of time points to the outcome, rather than a marginal or cross-sectional relationship. We provide practical guidelines, based on experience with scientific applications, for helping practitioners interpret their results and illustrate these ideas using data from a smoking cessation study.

Solveig Engebretsen, Ingrid K. Glad.

Source: Statistics Surveys, Volume 13, 1--51.

Abstract:
In numerous problems where the aim is to estimate the effect of a predictor variable on a response, one can assume a monotone relationship. For example, dose-effect models in medicine are of this type. In a multiple regression setting, additive monotone regression models assume that each predictor has a monotone effect on the response. In this paper, we present an overview and comparison of very recent frequentist methods for fitting additive monotone regression models. Three of the methods we present can be used both in the high dimensional setting, where the number of parameters $p$ exceeds the number of observations $n$, and in the classical multiple setting where $1<pleq n$. However, many of the most recent methods only apply to the classical setting. The methods are compared through simulation experiments in terms of efficiency, prediction error and variable selection properties in both settings, and they are applied to the Boston housing data. We conclude with some recommendations on when the various methods perform best.

Norbert Hirschauer, Sven Grüner, Oliver Mußhoff, Claudia Becker.

Source: Statistics Surveys, Volume 12, 136--172.

Abstract:
Data on how many scientific findings are reproducible are generally bleak and a wealth of papers have warned against misuses of the $p$-value and resulting false findings in recent years. This paper discusses the question of what we can(not) learn from the $p$-value, which is still widely considered as the gold standard of statistical validity. We aim to provide a non-technical and easily accessible resource for statistical practitioners who wish to spot and avoid misinterpretations and misuses of statistical significance tests. For this purpose, we first classify and describe the most widely discussed (“classical”) pitfalls of significance testing, and review published work on these misuses with a focus on regression-based “confirmatory” study. This includes a description of the single-study bias and a simulation-based illustration of how proper meta-analysis compares to misleading significance counts (“vote counting”). Going beyond the classical pitfalls, we also use simulation to provide intuition that relying on the statistical estimate “$p$-value” as a measure of evidence without considering its sample-to-sample variability falls short of the mark even within an otherwise appropriate interpretation. We conclude with a discussion of the exigencies of informed approaches to statistical inference and corresponding institutional reforms.

George Karabatsos, Fabrizio Leisen.

Source: Statistics Surveys, Volume 12, 66--104.

Abstract:
We are living in the big data era, as current technologies and networks allow for the easy and routine collection of data sets in different disciplines. Bayesian Statistics offers a flexible modeling approach which is attractive for describing the complexity of these datasets. These models often exhibit a likelihood function which is intractable due to the large sample size, high number of parameters, or functional complexity. Approximate Bayesian Computational (ABC) methods provides likelihood-free methods for performing statistical inferences with Bayesian models defined by intractable likelihood functions. The vastity of the literature on ABC methods created a need to review and relate all ABC approaches so that scientists can more readily understand and apply them for their own work. This article provides a unifying review, general representation, and classification of all ABC methods from the view of approximate likelihood theory. This clarifies how ABC methods can be characterized, related, combined, improved, and applied for future research. Possible future research in ABC is then outlined.

Phillip S. Kott.

Source: Statistics Surveys, Volume 12, 1--17.

Abstract:
Fitting complex survey data to regression equations is explored under a design-sensitive model-based framework. A robust version of the standard model assumes that the expected value of the difference between the dependent variable and its model-based prediction is zero no matter what the values of the explanatory variables. The extended model assumes only that the difference is uncorrelated with the covariates. Little is assumed about the error structure of this difference under either model other than independence across primary sampling units. The standard model often fails in practice, but the extended model very rarely does. Under this framework some of the methods developed in the conventional design-based, pseudo-maximum-likelihood framework, such as fitting weighted estimating equations and sandwich mean-squared-error estimation, are retained but their interpretations change. Few of the ideas here are new to the refereed literature. The goal instead is to collect those ideas and put them into a unified conceptual framework.

Oleksandr Sverdlov, Weng Kee Wong, Yevgen Ryeznik.

Source: Statistics Surveys, Volume 8, 2--44.

Abstract:
Adaptive clinical trials are becoming increasingly popular research designs for clinical investigation. Adaptive designs are particularly useful in phase I cancer studies where clinical data are scant and the goals are to assess the drug dose-toxicity profile and to determine the maximum tolerated dose while minimizing the number of study patients treated at suboptimal dose levels. In the current work we give an overview of adaptive design methods for phase I cancer trials. We find that modern statistical literature is replete with novel adaptive designs that have clearly defined objectives and established statistical properties, and are shown to outperform conventional dose finding methods such as the 3+3 design, both in terms of statistical efficiency and in terms of minimizing the number of patients treated at highly toxic or nonefficacious doses. We discuss statistical, logistical, and regulatory aspects of these designs and present some links to non-commercial statistical software for implementing these methods in practice.

Aki Vehtari, Janne Ojanen.

Source: Statistics Surveys, Volume 8, , 1--1.

Abstract:
Errata for “A survey of Bayesian predictive methods for model assessment, selection and comparison” by A. Vehtari and J. Ojanen, Statistics Surveys , 6 (2012), 142–228. doi:10.1214/12-SS102.

Aki Vehtari, Janne Ojanen

Source: Statist. Surv., Volume 6, 142--228.

Abstract:
To date, several methods exist in the statistical literature for model assessment, which purport themselves specifically as Bayesian predictive methods. The decision theoretic assumptions on which these methods are based are not always clearly stated in the original articles, however. The aim of this survey is to provide a unified review of Bayesian predictive model assessment and selection methods, and of methods closely related to them. We review the various assumptions that are made in this context and discuss the connections between different approaches, with an emphasis on how each method approximates the expected utility of using a Bayesian model for the purpose of predicting future data.

Sophie Achard, Jean-François Coeurjolly

Source: Statist. Surv., Volume 4, 117--147.

Abstract:
This paper gives an overview of the problem of estimating the Hurst parameter of a fractional Brownian motion when the data are observed with outliers and/or with an additive noise by using methods based on discrete variations. We show that the classical estimation procedure based on the log-linearity of the variogram of dilated series is made more robust to outliers and/or an additive noise by considering sample quantiles and trimmed means of the squared series or differences of empirical variances. These different procedures are compared and discussed through a large simulation study and are implemented in the R package dvfBm.

Arctic sea ice extent (SIE) in September 2019 ranked second-to-lowest in history and is trending downward. The understanding of how internal variability amplifies the effects of external $ ext{CO}_2$ forcing is still limited. We propose the VARCTIC, which is a Vector Autoregression (VAR) designed to capture and extrapolate Arctic feedback loops. VARs are dynamic simultaneous systems of equations, routinely estimated to predict and understand the interactions of multiple macroeconomic time series. Hence, the VARCTIC is a parsimonious compromise between fullblown climate models and purely statistical approaches that usually offer little explanation of the underlying mechanism. Our "business as usual" completely unconditional forecast has SIE hitting 0 in September by the 2060s. Impulse response functions reveal that anthropogenic $ ext{CO}_2$ emission shocks have a permanent effect on SIE - a property shared by no other shock. Further, we find Albedo- and Thickness-based feedbacks to be the main amplification channels through which $ ext{CO}_2$ anomalies impact SIE in the short/medium run. Conditional forecast analyses reveal that the future path of SIE crucially depends on the evolution of $ ext{CO}_2$ emissions, with outcomes ranging from recovering SIE to it reaching 0 in the 2050s. Finally, Albedo and Thickness feedbacks are shown to play an important role in accelerating the speed at which predicted SIE is heading towards 0.

Cooperation between different data owners may lead to an improvement in forecast quality - for instance by benefiting from spatial-temporal dependencies in geographically distributed time series. Due to business competitive factors and personal data protection questions, said data owners might be unwilling to share their data, which increases the interest in collaborative privacy-preserving forecasting. This paper analyses the state-of-the-art and unveils several shortcomings of existing methods in guaranteeing data privacy when employing Vector Autoregressive (VAR) models. The paper also provides mathematical proofs and numerical analysis to evaluate existing privacy-preserving methods, dividing them into three groups: data transformation, secure multi-party computations, and decomposition methods. The analysis shows that state-of-the-art techniques have limitations in preserving data privacy, such as a trade-off between privacy and forecasting accuracy, while the original data in iterative model fitting processes, in which intermediate results are shared, can be inferred after some iterations.

We study the interplay of two important issues on Bayesian model selection (BMS): censoring and model misspecification. We consider additive accelerated failure time (AAFT), Cox proportional hazards and probit models, and a more general concave log-likelihood structure. A fundamental question is what solution can one hope BMS to provide, when (inevitably) models are misspecified. We show that asymptotically BMS keeps any covariate with predictive power for either the outcome or censoring times, and discards other covariates. Misspecification refers to assuming the wrong model or functional effect on the response, including using a finite basis for a truly non-parametric effect, or omitting truly relevant covariates. We argue for using simple models that are computationally practical yet attain good power to detect potentially complex effects, despite misspecification. Misspecification and censoring both have an asymptotically negligible effect on (suitably-defined) false positives, but their impact on power is exponential. We portray these issues via simple descriptions of early/late censoring and the drop in predictive accuracy due to misspecification. From a methods point of view, we consider local priors and a novel structure that combines local and non-local priors to enforce sparsity. We develop algorithms to capitalize on the AAFT tractability, approximations to AAFT and probit likelihoods giving significant computational gains, a simple augmented Gibbs sampler to hierarchically explore linear and non-linear effects, and an implementation in the R package mombf. We illustrate the proposed methods and others based on likelihood penalties via extensive simulations under misspecification and censoring. We present two applications concerning the effect of gene expression on colon and breast cancer.

Adaptive importance samplers are adaptive Monte Carlo algorithms to estimate expectations with respect to some target distribution which extit{adapt} themselves to obtain better estimators over a sequence of iterations. Although it is straightforward to show that they have the same $mathcal{O}(1/sqrt{N})$ convergence rate as standard importance samplers, where $N$ is the number of Monte Carlo samples, the behaviour of adaptive importance samplers over the number of iterations has been left relatively unexplored. In this work, we investigate an adaptation strategy based on convex optimisation which leads to a class of adaptive importance samplers termed extit{optimised adaptive importance samplers} (OAIS). These samplers rely on the iterative minimisation of the $chi^2$-divergence between an exponential-family proposal and the target. The analysed algorithms are closely related to the class of adaptive importance samplers which minimise the variance of the weight function. We first prove non-asymptotic error bounds for the mean squared errors (MSEs) of these algorithms, which explicitly depend on the number of iterations and the number of samples together. The non-asymptotic bounds derived in this paper imply that when the target belongs to the exponential family, the $L_2$ errors of the optimised samplers converge to the optimal rate of $mathcal{O}(1/sqrt{N})$ and the rate of convergence in the number of iterations are explicitly provided. When the target does not belong to the exponential family, the rate of convergence is the same but the asymptotic $L_2$ error increases by a factor $sqrt{ ho^star} > 1$, where $ ho^star - 1$ is the minimum $chi^2$-divergence between the target and an exponential-family proposal.

Heat waves resulting from prolonged extreme temperatures pose a significant risk to human health globally. Given the limitations of observations of extreme temperature, climate models are often used to characterize extreme temperature globally, from which one can derive quantities like return values to summarize the magnitude of a low probability event for an arbitrary geographic location. However, while these derived quantities are useful on their own, it is also often important to apply a spatial statistical model to such data in order to, e.g., understand how the spatial dependence properties of the return values vary over space and emulate the climate model for generating additional spatial fields with corresponding statistical properties. For these objectives, when modeling global data it is critical to use a nonstationary covariance function. Furthermore, given that the output of modern global climate models can be on the order of $mathcal{O}(10^4)$, it is important to utilize approximate Gaussian process methods to enable inference. In this paper, we demonstrate the application of methodology introduced in Risser and Turek (2020) to conduct a nonstationary and fully Bayesian analysis of a large data set of 20-year return values derived from an ensemble of global climate model runs with over 50,000 spatial locations. This analysis uses the freely available BayesNSGP software package for R.

The paper focuses on a novel approach for false-positive reduction (FPR) of nodule candidates in Computer-aided detection (CADe) system after suspicious lesions proposing stage. Unlike common decisions in medical image analysis, the proposed approach considers input data not as 2d or 3d image, but as a point cloud and uses deep learning models for point clouds. We found out that models for point clouds require less memory and are faster on both training and inference than traditional CNN 3D, achieves better performance and does not impose restrictions on the size of the input image, thereby the size of the nodule candidate. We propose an algorithm for transforming 3d CT scan data to point cloud. In some cases, the volume of the nodule candidate can be much smaller than the surrounding context, for example, in the case of subpleural localization of the nodule. Therefore, we developed an algorithm for sampling points from a point cloud constructed from a 3D image of the candidate region. The algorithm guarantees to capture both context and candidate information as part of the point cloud of the nodule candidate. An experiment with creating a dataset from an open LIDC-IDRI database for a feature of the FPR task was accurately designed, set up and described in detail. The data augmentation technique was applied to avoid overfitting and as an upsampling method. Experiments are conducted with PointNet, PointNet++ and DGCNN. We show that the proposed approach outperforms baseline CNN 3D models and demonstrates 85.98 FROC versus 77.26 FROC for baseline models.

We introduce an optimized physics-informed neural network (PINN) trained to solve the problem of identifying and characterizing a surface breaking crack in a metal plate. PINNs are neural networks that can combine data and physics in the learning process by adding the residuals of a system of Partial Differential Equations to the loss function. Our PINN is supervised with realistic ultrasonic surface acoustic wave data acquired at a frequency of 5 MHz. The ultrasonic surface wave data is represented as a surface deformation on the top surface of a metal plate, measured by using the method of laser vibrometry. The PINN is physically informed by the acoustic wave equation and its convergence is sped up using adaptive activation functions. The adaptive activation function uses a scalable hyperparameter in the activation function, which is optimized to achieve best performance of the network as it changes dynamically the topology of the loss function involved in the optimization process. The usage of adaptive activation function significantly improves the convergence, notably observed in the current study. We use PINNs to estimate the speed of sound of the metal plate, which we do with an error of 1\%, and then, by allowing the speed of sound to be space dependent, we identify and characterize the crack as the positions where the speed of sound has decreased. Our study also shows the effect of sub-sampling of the data on the sensitivity of sound speed estimates. More broadly, the resulting model shows a promising deep neural network model for ill-posed inverse problems.

Early detection of patients vulnerable to infections acquired in the hospital environment is a challenge in current health systems given the impact that such infections have on patient mortality and healthcare costs. This work is focused on both the identification of risk factors and the prediction of healthcare-associated infections in intensive-care units by means of machine-learning methods. The aim is to support decision making addressed at reducing the incidence rate of infections. In this field, it is necessary to deal with the problem of building reliable classifiers from imbalanced datasets. We propose a clustering-based undersampling strategy to be used in combination with ensemble classifiers. A comparative study with data from 4616 patients was conducted in order to validate our proposal. We applied several single and ensemble classifiers both to the original dataset and to data preprocessed by means of different resampling methods. The results were analyzed by means of classic and recent metrics specifically designed for imbalanced data classification. They revealed that the proposal is more efficient in comparison with other approaches.

The ability of intelligent agents to learn and remember multiple tasks sequentially is crucial to achieving artificial general intelligence. Many continual learning (CL) methods have been proposed to overcome catastrophic forgetting. Catastrophic forgetting notoriously impedes the sequential learning of neural networks as the data of previous tasks are unavailable. In this paper we focus on class incremental learning, a challenging CL scenario, in which classes of each task are disjoint and task identity is unknown during test. For this scenario, generative replay is an effective strategy which generates and replays pseudo data for previous tasks to alleviate catastrophic forgetting. However, it is not trivial to learn a generative model continually for relatively complex data. Based on recently proposed orthogonal weight modification (OWM) algorithm which can keep previously learned input-output mappings invariant approximately when learning new tasks, we propose to directly generate and replay feature. Empirical results on image and text datasets show our method can improve OWM consistently by a significant margin while conventional generative replay always results in a negative effect. Our method also beats a state-of-the-art generative replay method and is competitive with a strong baseline based on real data storage.

In the variational relevance vector machine, the gamma distribution is representative as a hyperprior over the noise precision of automatic relevance determination prior. Instead of the gamma hyperprior, we propose to use the inverse gamma hyperprior with a shape parameter close to zero and a scale parameter not necessary close to zero. This hyperprior is associated with the concept of a weakly informative prior. The effect of this hyperprior is investigated through regression to non-homogeneous data. Because it is difficult to capture the structure of such data with a single kernel function, we apply the multiple kernel method, in which multiple kernel functions with different widths are arranged for input data. We confirm that the degrees of freedom in a model is controlled by adjusting the scale parameter and keeping the shape parameter close to zero. A candidate for selecting the scale parameter is the predictive information criterion. However the estimated model using this criterion seems to cause over-fitting. This is because the multiple kernel method makes the model a situation where the dimension of the model is larger than the data size. To select an appropriate scale parameter even in such a situation, we also propose an extended prediction information criterion. It is confirmed that a multiple kernel relevance vector regression model with good predictive accuracy can be obtained by selecting the scale parameter minimizing extended prediction information criterion.

Machine learning models with both good predictability and high interpretability are crucial for decision support systems. Linear regression is one of the most interpretable prediction models. However, the linearity in a simple linear regression worsens its predictability. In this work, we introduce a locally adaptive interpretable regression (LoAIR). In LoAIR, a metamodel parameterized by neural networks predicts percentile of a Gaussian distribution for the regression coefficients for a rapid adaptation. Our experimental results on public benchmark datasets show that our model not only achieves comparable or better predictive performance than the other state-of-the-art baselines but also discovers some interesting relationships between input and target variables such as a parabolic relationship between CO2 emissions and Gross National Product (GNP). Therefore, LoAIR is a step towards bridging the gap between econometrics, statistics, and machine learning by improving the predictive ability of linear regression without depreciating its interpretability.

This paper revisits the problem of computing empirical cumulative distribution functions (ECDF) efficiently on large, multivariate datasets. Computing an ECDF at one evaluation point requires $mathcal{O}(N)$ operations on a dataset composed of $N$ data points. Therefore, a direct evaluation of ECDFs at $N$ evaluation points requires a quadratic $mathcal{O}(N^2)$ operations, which is prohibitive for large-scale problems. Two fast and exact methods are proposed and compared. The first one is based on fast summation in lexicographical order, with a $mathcal{O}(N{log}N)$ complexity and requires the evaluation points to lie on a regular grid. The second one is based on the divide-and-conquer principle, with a $mathcal{O}(Nlog(N)^{(d-1){vee}1})$ complexity and requires the evaluation points to coincide with the input points. The two fast algorithms are described and detailed in the general $d$-dimensional case, and numerical experiments validate their speed and accuracy. Secondly, the paper establishes a direct connection between cumulative distribution functions and kernel density estimation (KDE) for a large class of kernels. This connection paves the way for fast exact algorithms for multivariate kernel density estimation and kernel regression. Numerical tests with the Laplacian kernel validate the speed and accuracy of the proposed algorithms. A broad range of large-scale multivariate density estimation, cumulative distribution estimation, survival function estimation and regression problems can benefit from the proposed numerical methods.

People learn to discriminate between classes without explicit exposure to negative examples. On the contrary, traditional machine learning algorithms often rely on negative examples, otherwise the model would be prone to collapse and always-true predictions. Therefore, it is crucial to design the learning objective which leads the model to converge and to perform predictions unbiasedly without explicit negative signals. In this paper, we propose a Collectively loss function to learn from only Positive and Unlabeled data (cPU). We theoretically elicit the loss function from the setting of PU learning. We perform intensive experiments on the benchmark and real-world datasets. The results show that cPU consistently outperforms the current state-of-the-art PU learning methods.

Hierarchical Agglomerative Clustering (HAC) algorithms are extensively utilized in modern data science and machine learning, and seek to partition the dataset into clusters while generating a hierarchical relationship between the data samples themselves. HAC algorithms are employed in a number of applications, such as biology, natural language processing, and recommender systems. Thus, it is imperative to ensure that these algorithms are fair-- even if the dataset contains biases against certain protected groups, the cluster outputs generated should not be discriminatory against samples from any of these groups. However, recent work in clustering fairness has mostly focused on center-based clustering algorithms, such as k-median and k-means clustering. Therefore, in this paper, we propose fair algorithms for performing HAC that enforce fairness constraints 1) irrespective of the distance linkage criteria used, 2) generalize to any natural measures of clustering fairness for HAC, 3) work for multiple protected groups, and 4) have competitive running times to vanilla HAC. To the best of our knowledge, this is the first work that studies fairness for HAC algorithms. We also propose an algorithm with lower asymptotic time complexity than HAC algorithms that can rectify existing HAC outputs and make them subsequently fair as a result. Moreover, we carry out extensive experiments on multiple real-world UCI datasets to demonstrate the working of our algorithms.

Online multiple kernel learning (OMKL) has provided an attractive performance in nonlinear function learning tasks. Leveraging a random feature approximation, the major drawback of OMKL, known as the curse of dimensionality, has been recently alleviated. In this paper, we introduce a new research problem, termed (stream-based) active multiple kernel learning (AMKL), in which a learner is allowed to label selected data from an oracle according to a selection criterion. This is necessary in many real-world applications as acquiring true labels is costly or time-consuming. We prove that AMKL achieves an optimal sublinear regret, implying that the proposed selection criterion indeed avoids unuseful label-requests. Furthermore, we propose AMKL with an adaptive kernel selection (AMKL-AKS) in which irrelevant kernels can be excluded from a kernel dictionary 'on the fly'. This approach can improve the efficiency of active learning as well as the accuracy of a function approximation. Via numerical tests with various real datasets, it is demonstrated that AMKL-AKS yields a similar or better performance than the best-known OMKL, with a smaller number of labeled data.

Effective property prediction methods can help accelerate the search for COVID-19 antivirals either through accurate in-silico screens or by effectively guiding on-going at-scale experimental efforts. However, existing prediction tools have limited ability to accommodate scarce or fragmented training data currently available. In this paper, we introduce a novel approach to learn predictors that can generalize or extrapolate beyond the heterogeneous data. Our method builds on and extends recently proposed invariant risk minimization, adaptively forcing the predictor to avoid nuisance variation. We achieve this by continually exercising and manipulating latent representations of molecules to highlight undesirable variation to the predictor. To test the method we use a combination of three data sources: SARS-CoV-2 antiviral screening data, molecular fragments that bind to SARS-CoV-2 main protease and large screening data for SARS-CoV-1. Our predictor outperforms state-of-the-art transfer learning methods by significant margin. We also report the top 20 predictions of our model on Broad drug repurposing hub.