Boosting is one of the most successful ideas in machine learning. The most well-accepted explanations for the low generalization error of boosting algorithms such as AdaBoost stem from margin theory. The study of margins in the context of boosting algorithms was initiated by Schapire, Freund, Bartlett and Lee (1998) and has inspired numerous boosting algorithms and generalization bounds. To date, the strongest known generalization (upper bound) is the $k$th margin bound of Gao and Zhou (2013). Despite the numerous generalization upper bounds that have been proved over the last two decades, nothing is known about the tightness of these bounds. In this paper, we give the first margin-based lower bounds on the generalization error of boosted classifiers. Our lower bounds nearly match the $k$th margin bound and thus almost settle the generalization performance of boosted classifiers in terms of margins.

The Rosenbrock function is an ubiquitous benchmark problem for numerical optimisation, and variants have been proposed to test the performance of Markov Chain Monte Carlo algorithms. In this work we discuss the two-dimensional Rosenbrock density, its current $n$-dimensional extensions, and their advantages and limitations. We then propose a new extension to arbitrary dimensions called the Hybrid Rosenbrock distribution, which is composed of conditional normal kernels arranged in such a way that preserves the key features of the original kernel. Moreover, due to its structure, the Hybrid Rosenbrock distribution is analytically tractable and possesses several desirable properties, which make it an excellent test model for computational algorithms.

In classification models fairness can be ensured by solving a constrained optimization problem. We focus on fairness constraints like Disparate Impact, Demographic Parity, and Equalized Odds, which are non-decomposable and non-convex. Researchers define convex surrogates of the constraints and then apply convex optimization frameworks to obtain fair classifiers. Surrogates serve only as an upper bound to the actual constraints, and convexifying fairness constraints might be challenging.

We propose a neural network-based framework, emph{FNNC}, to achieve fairness while maintaining high accuracy in classification. The above fairness constraints are included in the loss using Lagrangian multipliers. We prove bounds on generalization errors for the constrained losses which asymptotically go to zero. The network is optimized using two-step mini-batch stochastic gradient descent. Our experiments show that FNNC performs as good as the state of the art, if not better. The experimental evidence supplements our theoretical guarantees. In summary, we have an automated solution to achieve fairness in classification, which is easily extendable to many fairness constraints.

We propose a novel estimation procedure for scale-by-scale lead-lag relationships of financial assets observed at high-frequency in a non-synchronous manner. The proposed estimation procedure does not require any interpolation processing of original datasets and is applicable to those with highest time resolution available. Consistency of the proposed estimators is shown under the continuous-time framework that has been developed in our previous work Hayashi and Koike (2018). An empirical application to a quote dataset of the NASDAQ-100 assets identifies two types of lead-lag relationships at different time scales.

When the response mechanism is believed to be not missing at random (NMAR), a valid analysis requires stronger assumptions on the response mechanism than standard statistical methods would otherwise require. Semiparametric estimators have been developed under the model assumptions on the response mechanism. In this paper, a new statistical test is proposed to guarantee model identifiability without using any instrumental variable. Furthermore, we develop optimal semiparametric estimation for parameters such as the population mean. Specifically, we propose two semiparametric optimal estimators that do not require any model assumptions other than the response mechanism. Asymptotic properties of the proposed estimators are discussed. An extensive simulation study is presented to compare with some existing methods. We present an application of our method using Korean Labor and Income Panel Survey data.

Given a multivariate data set, sparse principal component analysis (SPCA) aims to extract several linear combinations of the variables that together explain the variance in the data as much as possible, while controlling the number of nonzero loadings in these combinations. In this paper we consider 8 different optimization formulations for computing a single sparse loading vector; these are obtained by combining the following factors: we employ two norms for measuring variance (L2, L1) and two sparsity-inducing norms (L0, L1), which are used in two different ways (constraint, penalty). Three of our formulations, notably the one with L0 constraint and L1 variance, have not been considered in the literature. We give a unifying reformulation which we propose to solve via a natural alternating maximization (AM) method. We show the the AM method is nontrivially equivalent to GPower (Journ'{e}e et al; JMLR 11:517--553, 2010) for all our formulations. Besides this, we provide 24 efficient parallel SPCA implementations: 3 codes (multi-core, GPU and cluster) for each of the 8 problems. Parallelism in the methods is aimed at i) speeding up computations (our GPU code can be 100 times faster than an efficient serial code written in C++), ii) obtaining solutions explaining more variance and iii) dealing with big data problems (our cluster code is able to solve a 357 GB problem in about a minute).

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 present LCE, a Local Cascade Ensemble for traditional (tabular) multivariate data classification, and its extension LCEM for Multivariate Time Series (MTS) classification. LCE is a new hybrid ensemble method that combines an explicit boosting-bagging approach to handle the usual bias-variance tradeoff faced by machine learning models and an implicit divide-and-conquer approach to individualize classifier errors on different parts of the training data. Our evaluation firstly shows that the hybrid ensemble method LCE outperforms the state-of-the-art classifiers on the UCI datasets and that LCEM outperforms the state-of-the-art MTS classifiers on the UEA datasets. Furthermore, LCEM provides explainability by design and manifests robust performance when faced with challenges arising from continuous data collection (different MTS length, missing data and noise).

Increasing number of sectors which affect human lives, are using Machine Learning (ML) tools. Hence the need for understanding their working mechanism and evaluating their fairness in decision-making, are becoming paramount, ushering in the era of Explainable AI (XAI). In this contribution we introduced a few intrinsically interpretable models which are also capable of dealing with missing values, in addition to extracting knowledge from the dataset and about the problem. These models are also capable of visualisation of the classifier and decision boundaries: they are the angle based variants of Learning Vector Quantization. We have demonstrated the algorithms on a synthetic dataset and a real-world one (heart disease dataset from the UCI repository). The newly developed classifiers helped in investigating the complexities of the UCI dataset as a multiclass problem. The performance of the developed classifiers were comparable to those reported in literature for this dataset, with additional value of interpretability, when the dataset was treated as a binary class problem.

In Canada, financial advisors and dealers by provincial securities commissions, and those self-regulatory organizations charged with direct regulation over investment dealers and mutual fund dealers, respectively to collect and maintain Know Your Client (KYC) information, such as their age or risk tolerance, for investor accounts. With this information, investors, under their advisor's guidance, make decisions on their investments which are presumed to be beneficial to their investment goals. Our unique dataset is provided by a financial investment dealer with over 50,000 accounts for over 23,000 clients. We use a modified behavioural finance recency, frequency, monetary model for engineering features that quantify investor behaviours, and machine learning clustering algorithms to find groups of investors that behave similarly. We show that the KYC information collected does not explain client behaviours, whereas trade and transaction frequency and volume are most informative. We believe the results shown herein encourage financial regulators and advisors to use more advanced metrics to better understand and predict investor behaviours.

Disaggregation regression has become an important tool in spatial disease mapping for making fine-scale predictions of disease risk from aggregated response data. By including high resolution covariate information and modelling the data generating process on a fine scale, it is hoped that these models can accurately learn the relationships between covariates and response at a fine spatial scale. However, validating these high resolution predictions can be a challenge, as often there is no data observed at this spatial scale. In this study, disaggregation regression was performed on simulated data in various settings and the resulting fine-scale predictions are compared to the simulated ground truth. Performance was investigated with varying numbers of data points, sizes of aggregated areas and levels of model misspecification. The effectiveness of cross validation on the aggregate level as a measure of fine-scale predictive performance was also investigated. Predictive performance improved as the number of observations increased and as the size of the aggregated areas decreased. When the model was well-specified, fine-scale predictions were accurate even with small numbers of observations and large aggregated areas. Under model misspecification predictive performance was significantly worse for large aggregated areas but remained high when response data was aggregated over smaller regions. Cross-validation correlation on the aggregate level was a moderately good predictor of fine-scale predictive performance. While the simulations are unlikely to capture the nuances of real-life response data, this study gives insight into the effectiveness of disaggregation regression in different contexts.

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.

In many Machine Learning domains, datasets are characterized by highly imbalanced and overlapping classes. Particularly in the medical domain, a specific list of symptoms can be labeled as one of various different conditions. Some of these conditions may be more prevalent than others by several orders of magnitude. Here we present a novel unsupervised Domain Adaptation scheme for such datasets. The scheme, based on a specific type of Quantification, is designed to work under both label and conditional shifts. It is demonstrated on datasets generated from Electronic Health Records and provides high quality results for both Quantification and Domain Adaptation in very challenging scenarios. Potential benefits of using this scheme in the current COVID-19 outbreak, for estimation of prevalence and probability of infection, are discussed.

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.

This paper studies a service system in which arriving customers are provided with information about the delay they will experience. Based on this information they decide to wait for service or to leave the system. The main objective is to estimate the customers' patience-level distribution and the corresponding potential arrival rate, using knowledge of the actual workload process only. We cast the system as a queueing model, so as to evaluate the corresponding likelihood function. Estimating the unknown parameters relying on a maximum likelihood procedure, we prove strong consistency and derive the asymptotic distribution of the estimation error. Several applications and extensions of the method are discussed. In particular, we indicate how our method generalizes to a multi-server setting. The performance of our approach is assessed through a series of numerical experiments. By fitting parameters of hyperexponential and generalized-hyperexponential distributions our method provides a robust estimation framework for any continuous patience-level distribution.

As an important type of reinforcement learning algorithms, actor-critic (AC) and natural actor-critic (NAC) algorithms are often executed in two ways for finding optimal policies. In the first nested-loop design, actor's one update of policy is followed by an entire loop of critic's updates of the value function, and the finite-sample analysis of such AC and NAC algorithms have been recently well established. The second two time-scale design, in which actor and critic update simultaneously but with different learning rates, has much fewer tuning parameters than the nested-loop design and is hence substantially easier to implement. Although two time-scale AC and NAC have been shown to converge in the literature, the finite-sample convergence rate has not been established. In this paper, we provide the first such non-asymptotic convergence rate for two time-scale AC and NAC under Markovian sampling and with actor having general policy class approximation. We show that two time-scale AC requires the overall sample complexity at the order of $mathcal{O}(epsilon^{-2.5}log^3(epsilon^{-1}))$ to attain an $epsilon$-accurate stationary point, and two time-scale NAC requires the overall sample complexity at the order of $mathcal{O}(epsilon^{-4}log^2(epsilon^{-1}))$ to attain an $epsilon$-accurate global optimal point. We develop novel techniques for bounding the bias error of the actor due to dynamically changing Markovian sampling and for analyzing the convergence rate of the linear critic with dynamically changing base functions and transition kernel.

In the field of numerical weather prediction (NWP), the probabilistic distribution of the future state of the atmosphere is sampled with Monte-Carlo-like simulations, called ensembles. These ensembles have deficiencies (such as conditional biases) that can be corrected thanks to statistical post-processing methods. Several ensembles exist and may be corrected with different statistiscal methods. A further step is to combine these raw or post-processed ensembles. The theory of prediction with expert advice allows us to build combination algorithms with theoretical guarantees on the forecast performance. This article adapts this theory to the case of probabilistic forecasts issued as step-wise cumulative distribution functions (CDF). The theory is applied to wind speed forecasting, by combining several raw or post-processed ensembles, considered as CDFs. The second goal of this study is to explore the use of two forecast performance criteria: the Continous ranked probability score (CRPS) and the Jolliffe-Primo test. Comparing the results obtained with both criteria leads to reconsidering the usual way to build skillful probabilistic forecasts, based on the minimization of the CRPS. Minimizing the CRPS does not necessarily produce reliable forecasts according to the Jolliffe-Primo test. The Jolliffe-Primo test generally selects reliable forecasts, but could lead to issuing suboptimal forecasts in terms of CRPS. It is proposed to use both criterion to achieve reliable and skillful probabilistic forecasts.

Text summarization refers to the process that generates a shorter form of text from the source document preserving salient information. Recently, many models for text summarization have been proposed. Most of those models were evaluated using recall-oriented understudy for gisting evaluation (ROUGE) scores. However, as ROUGE scores are computed based on n-gram overlap, they do not reflect semantic meaning correspondences between generated and reference summaries. Because Korean is an agglutinative language that combines various morphemes into a word that express several meanings, ROUGE is not suitable for Korean summarization. In this paper, we propose evaluation metrics that reflect semantic meanings of a reference summary and the original document, Reference and Document Aware Semantic Score (RDASS). We then propose a method for improving the correlation of the metrics with human judgment. Evaluation results show that the correlation with human judgment is significantly higher for our evaluation metrics than for ROUGE scores.

Introducing common shocks is a popular dependence modelling approach, with some recent applications in loss reserving. The main advantage of this approach is the ability to capture structural dependence coming from known relationships. In addition, it helps with the parsimonious construction of correlation matrices of large dimensions. However, complications arise in the presence of "unbalanced data", that is, when (expected) magnitude of observations over a single triangle, or between triangles, can vary substantially. Specifically, if a single common shock is applied to all of these cells, it can contribute insignificantly to the larger values and/or swamp the smaller ones, unless careful adjustments are made. This problem is further complicated in applications involving negative claim amounts. In this paper, we address this problem in the loss reserving context using a common shock Tweedie approach for unbalanced data. We show that the solution not only provides a much better balance of the common shock proportions relative to the unbalanced data, but it is also parsimonious. Finally, the common shock Tweedie model also provides distributional tractability.

In this paper, we propose a new procedure to build a structural-factor model for a vector unit-root time series. For a $p$-dimensional unit-root process, we assume that each component consists of a set of common factors, which may be unit-root non-stationary, and a set of stationary components, which contain the cointegrations among the unit-root processes. To further reduce the dimensionality, we also postulate that the stationary part of the series is a nonsingular linear transformation of certain common factors and idiosyncratic white noise components as in Gao and Tsay (2019a, b). The estimation of linear loading spaces of the unit-root factors and the stationary components is achieved by an eigenanalysis of some nonnegative definite matrix, and the separation between the stationary factors and the white noises is based on an eigenanalysis and a projected principal component analysis. Asymptotic properties of the proposed method are established for both fixed $p$ and diverging $p$ as the sample size $n$ tends to infinity. Both simulated and real examples are used to demonstrate the performance of the proposed method in finite samples.

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.

This paper proposes a stochastic variant of the stable matching model from Rasulkhani and Chow [1] which allows microtransit operators to evaluate their operation policy and resource allocations. The proposed model takes into account the stochastic nature of users' travel utility perception, resulting in a probabilistic stable operation cost allocation outcome to design ticket price and ridership forecasting. We applied the model for the operation policy evaluation of a microtransit service in Luxembourg and its border area. The methodology for the model parameters estimation and calibration is developed. The results provide useful insights for the operator and the government to improve the ridership of the service.

Harnessing data to discover the underlying governing laws or equations that describe the behavior of complex physical systems can significantly advance our modeling, simulation and understanding of such systems in various science and engineering disciplines. Recent advances in sparse identification show encouraging success in distilling closed-form governing equations from data for a wide range of nonlinear dynamical systems. However, the fundamental bottleneck of this approach lies in the robustness and scalability with respect to data scarcity and noise. This work introduces a novel physics-informed deep learning framework to discover governing partial differential equations (PDEs) from scarce and noisy data for nonlinear spatiotemporal systems. In particular, this approach seamlessly integrates the strengths of deep neural networks for rich representation learning, automatic differentiation and sparse regression to approximate the solution of system variables, compute essential derivatives, as well as identify the key derivative terms and parameters that form the structure and explicit expression of the PDEs. The efficacy and robustness of this method are demonstrated on discovering a variety of PDE systems with different levels of data scarcity and noise. The resulting computational framework shows the potential for closed-form model discovery in practical applications where large and accurate datasets are intractable to capture.

Hierarchical abstraction and curiosity-driven exploration are two common paradigms in current reinforcement learning approaches to break down difficult problems into a sequence of simpler ones and to overcome reward sparsity. However, there is a lack of approaches that combine these paradigms, and it is currently unknown whether curiosity also helps to perform the hierarchical abstraction. As a novelty and scientific contribution, we tackle this issue and develop a method that combines hierarchical reinforcement learning with curiosity. Herein, we extend a contemporary hierarchical actor-critic approach with a forward model to develop a hierarchical notion of curiosity. We demonstrate in several continuous-space environments that curiosity approximately doubles the learning performance and success rates for most of the investigated benchmarking problems.

In causal settings, such as instrumental variable settings, it is well known that estimators based on ordinary least squares (OLS) can yield biased and non-consistent estimates of the causal parameters. This is partially overcome by two-stage least squares (TSLS) estimators. These are, under weak assumptions, consistent but do not have desirable finite sample properties: in many models, for example, they do not have finite moments. The set of K-class estimators can be seen as a non-linear interpolation between OLS and TSLS and are known to have improved finite sample properties. Recently, in causal discovery, invariance properties such as the moment criterion which TSLS estimators leverage have been exploited for causal structure learning: e.g., in cases, where the causal parameter is not identifiable, some structure of the non-zero components may be identified, and coverage guarantees are available. Subsequently, anchor regression has been proposed to trade-off invariance and predictability. The resulting estimator is shown to have optimal predictive performance under bounded shift interventions. In this paper, we show that the concepts of anchor regression and K-class estimators are closely related. Establishing this connection comes with two benefits: (1) It enables us to prove robustness properties for existing K-class estimators when considering distributional shifts. And, (2), we propose a novel estimator in instrumental variable settings by minimizing the mean squared prediction error subject to the constraint that the estimator lies in an asymptotically valid confidence region of the causal parameter. We call this estimator PULSE (p-uncorrelated least squares estimator) and show that it can be computed efficiently, even though the underlying optimization problem is non-convex. We further prove that it is consistent.

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.

Graph Neural Networks (GNNs) are powerful and flexible neural networks that use the naturally sparse connectivity information of the data. GNNs represent this connectivity as sparse matrices, which have lower arithmetic intensity and thus higher communication costs compared to dense matrices, making GNNs harder to scale to high concurrencies than convolutional or fully-connected neural networks.

We present a family of parallel algorithms for training GNNs. These algorithms are based on their counterparts in dense and sparse linear algebra, but they had not been previously applied to GNN training. We show that they can asymptotically reduce communication compared to existing parallel GNN training methods. We implement a promising and practical version that is based on 2D sparse-dense matrix multiplication using torch.distributed. Our implementation parallelizes over GPU-equipped clusters. We train GNNs on up to a hundred GPUs on datasets that include a protein network with over a billion edges.

The notion of incremental learning is to train an ANN algorithm in stages, as and when newer training data arrives. Incremental learning is becoming widespread in recent times with the advent of deep learning. Noise in the training data reduces the accuracy of the algorithm. In this paper, we make an empirical study of the effect of noise in the training phase. We numerically show that the accuracy of the algorithm is dependent more on the location of the error than the percentage of error. Using Perceptron, Feed Forward Neural Network and Radial Basis Function Neural Network, we show that for the same percentage of error, the accuracy of the algorithm significantly varies with the location of error. Furthermore, our results show that the dependence of the accuracy with the location of error is independent of the algorithm. However, the slope of the degradation curve decreases with more sophisticated algorithms

Data-driven modelling and computational predictions based on maximum entropy principle (MaxEnt-principle) aim at finding as-simple-as-possible - but not simpler then necessary - models that allow to avoid the data overfitting problem. We derive a multivariate non-parametric and non-stationary formulation of the MaxEnt-principle and show that its solution can be approximated through a numerical maximisation of the sparse constrained optimization problem with regularization. Application of the resulting algorithm to popular financial benchmarks reveals memoryless models allowing for simple and qualitative descriptions of the major stock market indexes data. We compare the obtained MaxEnt-models to the heteroschedastic models from the computational econometrics (GARCH, GARCH-GJR, MS-GARCH, GARCH-PML4) in terms of the model fit, complexity and prediction quality. We compare the resulting model log-likelihoods, the values of the Bayesian Information Criterion, posterior model probabilities, the quality of the data autocorrelation function fits as well as the Value-at-Risk prediction quality. We show that all of the considered seven major financial benchmark time series (DJI, SPX, FTSE, STOXX, SMI, HSI and N225) are better described by conditionally memoryless MaxEnt-models with nonstationary regime-switching than by the common econometric models with finite memory. This analysis also reveals a sparse network of statistically-significant temporal relations for the positive and negative latent variance changes among different markets. The code is provided for open access.

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.

An accurate and prompt diagnosis of pediatric pneumonia is imperative for successful treatment intervention. One approach to diagnose pneumonia cases is using radiographic data. In this article, we propose a novel parsimonious scalar-on-image classification model adopting the ideas of functional data analysis. Our main idea is to treat images as functional measurements and exploit underlying covariance structures to select basis functions; these bases are then used in approximating both image profiles and corresponding regression coefficient. We re-express the regression model into a standard generalized linear model where the functional principal component scores are treated as covariates. We apply the method to (1) classify pneumonia against healthy and viral against bacterial pneumonia patients, and (2) test the null effect about the association between images and responses. Extensive simulation studies show excellent numerical performance in terms of classification, hypothesis testing, and efficient computation.

Class imbalance is an inherent characteristic of multi-label data that hinders most multi-label learning methods. One efficient and flexible strategy to deal with this problem is to employ sampling techniques before training a multi-label learning model. Although existing multi-label sampling approaches alleviate the global imbalance of multi-label datasets, it is actually the imbalance level within the local neighbourhood of minority class examples that plays a key role in performance degradation. To address this issue, we propose a novel measure to assess the local label imbalance of multi-label datasets, as well as two multi-label sampling approaches based on the local label imbalance, namely MLSOL and MLUL. By considering all informative labels, MLSOL creates more diverse and better labeled synthetic instances for difficult examples, while MLUL eliminates instances that are harmful to their local region. Experimental results on 13 multi-label datasets demonstrate the effectiveness of the proposed measure and sampling approaches for a variety of evaluation metrics, particularly in the case of an ensemble of classifiers trained on repeated samples of the original data.

Reducing domain divergence is a key step in transfer learning problems. Existing works focus on the minimization of global domain divergence. However, two domains may consist of several shared subdomains, and differ from each other in each subdomain. In this paper, we take the local divergence of subdomains into account in transfer. Specifically, we propose to use low-dimensional manifold to represent subdomain, and align the local data distribution discrepancy in each manifold across domains. A Manifold Maximum Mean Discrepancy (M3D) is developed to measure the local distribution discrepancy in each manifold. We then propose a general framework, called Transfer with Manifolds Discrepancy Alignment (TMDA), to couple the discovery of data manifolds with the minimization of M3D. We instantiate TMDA in the subspace learning case considering both the linear and nonlinear mappings. We also instantiate TMDA in the deep learning framework. Extensive experimental studies demonstrate that TMDA is a promising method for various transfer learning tasks.

Hyperbolic balance laws with uncertain (random) parameters and inputs are ubiquitous in science and engineering. Quantification of uncertainty in predictions derived from such laws, and reduction of predictive uncertainty via data assimilation, remain an open challenge. That is due to nonlinearity of governing equations, whose solutions are highly non-Gaussian and often discontinuous. To ameliorate these issues in a computationally efficient way, we use the method of distributions, which here takes the form of a deterministic equation for spatiotemporal evolution of the cumulative distribution function (CDF) of the random system state, as a means of forward uncertainty propagation. Uncertainty reduction is achieved by recasting the standard loss function, i.e., discrepancy between observations and model predictions, in distributional terms. This step exploits the equivalence between minimization of the square error discrepancy and the Kullback-Leibler divergence. The loss function is regularized by adding a Lagrangian constraint enforcing fulfillment of the CDF equation. Minimization is performed sequentially, progressively updating the parameters of the CDF equation as more measurements are assimilated.

Ridge regression (RR) is a regularization technique that penalizes the L2-norm of the coefficients in linear regression. One of the challenges of using RR is the need to set a hyperparameter ($alpha$) that controls the amount of regularization. Cross-validation is typically used to select the best $alpha$ from a set of candidates. However, efficient and appropriate selection of $alpha$ can be challenging, particularly where large amounts of data are analyzed. Because the selected $alpha$ depends on the scale of the data and predictors, it is not straightforwardly interpretable. Here, we propose to reparameterize RR in terms of the ratio $gamma$ between the L2-norms of the regularized and unregularized coefficients. This approach, called fractional RR (FRR), has several benefits: the solutions obtained for different $gamma$ are guaranteed to vary, guarding against wasted calculations, and automatically span the relevant range of regularization, avoiding the need for arduous manual exploration. We provide an algorithm to solve FRR, as well as open-source software implementations in Python and MATLAB (https://github.com/nrdg/fracridge). We show that the proposed method is fast and scalable for large-scale data problems, and delivers results that are straightforward to interpret and compare across models and datasets.

Uncertainties in a structure is inevitable, which generally lead to variation in dynamic response predictions. For a complex structure, brute force Monte Carlo simulation for response variation analysis is infeasible since one single run may already be computationally costly. Data driven meta-modeling approaches have thus been explored to facilitate efficient emulation and statistical inference. The performance of a meta-model hinges upon both the quality and quantity of training dataset. In actual practice, however, high-fidelity data acquired from high-dimensional finite element simulation or experiment are generally scarce, which poses significant challenge to meta-model establishment. In this research, we take advantage of the multi-level response prediction opportunity in structural dynamic analysis, i.e., acquiring rapidly a large amount of low-fidelity data from reduced-order modeling, and acquiring accurately a small amount of high-fidelity data from full-scale finite element analysis. Specifically, we formulate a composite neural network fusion approach that can fully utilize the multi-level, heterogeneous datasets obtained. It implicitly identifies the correlation of the low- and high-fidelity datasets, which yields improved accuracy when compared with the state-of-the-art. Comprehensive investigations using frequency response variation characterization as case example are carried out to demonstrate the performance.

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.

We develop a general framework for data-driven approximation of input-output maps between infinite-dimensional spaces. The proposed approach is motivated by the recent successes of neural networks and deep learning, in combination with ideas from model reduction. This combination results in a neural network approximation which, in principle, is defined on infinite-dimensional spaces and, in practice, is robust to the dimension of finite-dimensional approximations of these spaces required for computation. For a class of input-output maps, and suitably chosen probability measures on the inputs, we prove convergence of the proposed approximation methodology. Numerically we demonstrate the effectiveness of the method on a class of parametric elliptic PDE problems, showing convergence and robustness of the approximation scheme with respect to the size of the discretization, and compare our method with existing algorithms from the literature.

Model Stealing (MS) attacks allow an adversary with black-box access to a Machine Learning model to replicate its functionality, compromising the confidentiality of the model. Such attacks train a clone model by using the predictions of the target model for different inputs. The effectiveness of such attacks relies heavily on the availability of data necessary to query the target model. Existing attacks either assume partial access to the dataset of the target model or availability of an alternate dataset with semantic similarities.

This paper proposes MAZE -- a data-free model stealing attack using zeroth-order gradient estimation. In contrast to prior works, MAZE does not require any data and instead creates synthetic data using a generative model. Inspired by recent works in data-free Knowledge Distillation (KD), we train the generative model using a disagreement objective to produce inputs that maximize disagreement between the clone and the target model. However, unlike the white-box setting of KD, where the gradient information is available, training a generator for model stealing requires performing black-box optimization, as it involves accessing the target model under attack. MAZE relies on zeroth-order gradient estimation to perform this optimization and enables a highly accurate MS attack.

Our evaluation with four datasets shows that MAZE provides a normalized clone accuracy in the range of 0.91x to 0.99x, and outperforms even the recent attacks that rely on partial data (JBDA, clone accuracy 0.13x to 0.69x) and surrogate data (KnockoffNets, clone accuracy 0.52x to 0.97x). We also study an extension of MAZE in the partial-data setting and develop MAZE-PD, which generates synthetic data closer to the target distribution. MAZE-PD further improves the clone accuracy (0.97x to 1.0x) and reduces the query required for the attack by 2x-24x.

I study the minimax-optimal design for a two-arm controlled experiment where conditional mean outcomes may vary in a given set. When this set is permutation symmetric, the optimal design is complete randomization, and using a single partition (i.e., the design that only randomizes the treatment labels for each side of the partition) has minimax risk larger by a factor of $n-1$. More generally, the optimal design is shown to be the mixed-strategy optimal design (MSOD) of Kallus (2018). Notably, even when the set of conditional mean outcomes has structure (i.e., is not permutation symmetric), being minimax-optimal for variance still requires randomization beyond a single partition. Nonetheless, since this targets precision, it may still not ensure sufficient uniformity in randomization to enable randomization (i.e., design-based) inference by Fisher's exact test to appropriately detect violations of null. I therefore propose the inference-constrained MSOD, which is minimax-optimal among all designs subject to such uniformity constraints. On the way, I discuss Johansson et al. (2020) who recently compared rerandomization of Morgan and Rubin (2012) and the pure-strategy optimal design (PSOD) of Kallus (2018). I point out some errors therein and set straight that randomization is minimax-optimal and that the "no free lunch" theorem and example in Kallus (2018) are correct.

Crowdsourcing is a popular approach to collect annotations for unlabeled data instances. It involves collecting a large number of annotations from several, often naive untrained annotators for each data instance which are then combined to estimate the ground truth. Further, annotations for constructs such as affect are often multi-dimensional with annotators rating multiple dimensions, such as valence and arousal, for each instance. Most annotation fusion schemes however ignore this aspect and model each dimension separately. In this work we address this by proposing a generative model for multi-dimensional annotation fusion, which models the dimensions jointly leading to more accurate ground truth estimates. The model we propose is applicable to both global and time series annotation fusion problems and treats the ground truth as a latent variable distorted by the annotators. The model parameters are estimated using the Expectation-Maximization algorithm and we evaluate its performance using synthetic data and real emotion corpora as well as on an artificial task with human annotations

We present the R package mgm for the estimation of k-order mixed graphical models (MGMs) and mixed vector autoregressive (mVAR) models in high-dimensional data. These are a useful extensions of graphical models for only one variable type, since data sets consisting of mixed types of variables (continuous, count, categorical) are ubiquitous. In addition, we allow to relax the stationarity assumption of both models by introducing time-varying versions of MGMs and mVAR models based on a kernel weighting approach. Time-varying models offer a rich description of temporally evolving systems and allow to identify external influences on the model structure such as the impact of interventions. We provide the background of all implemented methods and provide fully reproducible examples that illustrate how to use the package.

Sparse estimation via penalized likelihood (PL) is now a popular approach to learn the associations among a large set of variables. This paper describes an R package called lslx that implements PL methods for semi-confirmatory structural equation modeling (SEM). In this semi-confirmatory approach, each model parameter can be specified as free/fixed for theory testing, or penalized for exploration. By incorporating either a L1 or minimax concave penalty, the sparsity pattern of the parameter matrix can be efficiently explored. Package lslx minimizes the PL criterion through a quasi-Newton method. The algorithm conducts line search and checks the first-order condition in each iteration to ensure the optimality of the obtained solution. A numerical comparison between competing packages shows that lslx can reliably find PL estimates with the least time. The current package also supports other advanced functionalities, including a two-stage method with auxiliary variables for missing data handling and a reparameterized multi-group SEM to explore population heterogeneity.

The random-effects or normal-normal hierarchical model is commonly utilized in a wide range of meta-analysis applications. A Bayesian approach to inference is very attractive in this context, especially when a meta-analysis is based only on few studies. The bayesmeta R package provides readily accessible tools to perform Bayesian meta-analyses and generate plots and summaries, without having to worry about computational details. It allows for flexible prior specification and instant access to the resulting posterior distributions, including prediction and shrinkage estimation, and facilitating for example quick sensitivity checks. The present paper introduces the underlying theory and showcases its usage.

This paper introduces the funData R package as an object-oriented implementation of functional data. It implements a unified framework for dense univariate and multivariate functional data on one- and higher dimensional domains as well as for irregular functional data. The aim of this package is to provide a user-friendly, self-contained core toolbox for functional data, including important functionalities for creating, accessing and modifying functional data objects, that can serve as a basis for other packages. The package further contains a full simulation toolbox, which is a useful feature when implementing and testing new methodological developments. Based on the theory of object-oriented data analysis, it is shown why it is natural to implement functional data in an object-oriented manner. The classes and methods provided by funData are illustrated in many examples using two freely available datasets. The MFPCA package, which implements multivariate functional principal component analysis, is presented as an example for an advanced methodological package that uses the funData package as a basis, including a case study with real data. Both packages are publicly available on GitHub and the Comprehensive R Archive Network.