In this work, we propose a new Gaussian process regression (GPR) method: physics-informed Kriging (PhIK). In the standard data-driven Kriging, the unknown function of interest is usually treated as a Gaussian process with assumed stationary covariance with hyperparameters estimated from data. In PhIK, we compute the mean and covariance function from realizations of available stochastic models, e.g., from realizations of governing stochastic partial differential equations solutions. Such a constructed Gaussian process generally is non-stationary, and does not assume a specific form of the covariance function. Our approach avoids the costly optimization step in data-driven GPR methods to identify the hyperparameters. More importantly, we prove that the physical constraints in the form of a deterministic linear operator are guaranteed in the resulting prediction. We also provide an error estimate in preserving the physical constraints when errors are included in the stochastic model realizations. To reduce the computational cost of obtaining stochastic model realizations, we propose a multilevel Monte Carlo estimate of the mean and covariance functions. Further, we present an active learning algorithm that guides the selection of additional observation locations. The efficiency and accuracy of PhIK are demonstrated for reconstructing a partially known modified Branin function and learning a conservative tracer distribution from sparse concentration measurements.

Filter or screening methods are often used as a preprocessing step for reducing the number of variables used by a learning algorithm in obtaining a classification or regression model. While there are many such filter methods, there is a need for an objective evaluation of these methods. Such an evaluation is needed to compare them with each other and also to answer whether they are at all useful, or a learning algorithm could do a better job without them. For this purpose, many popular screening methods are partnered in this paper with three regression learners and five classification learners and evaluated on ten real datasets to obtain accuracy criteria such as R-square and area under the ROC curve (AUC). The obtained results are compared through curve plots and comparison tables in order to find out whether screening methods help improve the performance of learning algorithms and how they fare with each other. Our findings revealed that the screening methods were only useful in one regression and three classification datasets out of the ten datasets evaluated.

Ever since the proof of asymptotic normality of maximum likelihood estimator by Cramer (1946), it has been understood that a basic technique of the Taylor series expansion suffices for asymptotics of $M$-estimators with smooth/differentiable loss function. Although the Taylor series expansion is a purely deterministic tool, the realization that the asymptotic normality results can also be made deterministic (and so finite sample) received far less attention. With the advent of big data and high-dimensional statistics, the need for finite sample results has increased. In this paper, we use the (well-known) Banach fixed point theorem to derive various deterministic inequalities that lead to the classical results when studied under randomness. In addition, we provide applications of these deterministic inequalities for crossvalidation/subsampling, marginal screening and uniform-in-submodel results that are very useful for post-selection inference and in the study of post-regularization estimators. Our results apply to many classical estimators, in particular, generalized linear models, non-linear regression and cox proportional hazards model. Extensions to non-smooth and constrained problems are also discussed.

Abstract--The real estate market is exposed to many fluctuations in prices, because of existing correlations with many variables, some of which cannot be controlled or might even be unknown. Housing prices can increase rapidly (or in some cases, also drop very fast), yet the numerous listings available online where houses are sold or rented are not likely to be updated that often. In some cases, individuals interested in selling a house (or apartment) might include it in some online listing, and forget about updating the price. In other cases, some individuals might be interested in deliberately setting a price below the market price in order to sell the home faster, for various reasons. In this paper we aim at developing a machine learning application that identifies opportunities in the real estate market in real time, i.e., houses that are listed with a price substantially below the market price. This program can be useful for investors interested in the housing market. The application is formally implemented as a regression problem, that tries to estimate the market price of a house given features retrieved from public online listings. For building this application, we have performed a feature engineering stage in order to discover relevant features that allows attaining a high predictive performance. Several machine learning algorithms have been tested, including regression trees, k-NN and neural networks, identifying advantages and handicaps of each of them. The real estate market is rapidly evolving. A recent report published by MSCI estimates the size of the professionally managed real estate investment market in $8.5 trillion in 2017, increasing a total of $1.1 trillion since the previous year [1]. Of course, the real market size is expected to be much larger when counting assets which are not professionally managed or that are not object of investment. When looked from a macroeconomic perspective, there are many aspects that significantly drive the behavior of this market, such as demographics, interest rates, government regulation and, for short, global economic health. However, looking at the market evolution from a global perspective turns out to be too simplistic. Although the market at a global scale is very tightly correlated, there are many aspects influencing the behavior of markets at a local scale, such as political instability or the emergence of highly demanded "hot spots" that can shift rapidly.

Due to the increasing availability of high-dimensional empirical applications in many research disciplines, valid simultaneous inference becomes more and more important. For instance, high-dimensional settings might arise in economic studies due to very rich data sets with many potential covariates or in the analysis of treatment heterogeneities. Also the evaluation of potentially more complicated (nonlinear) functional forms of the regression relationship leads to many potential variables for which simultaneous inferential statements might be of interest. Here we provide a review of classical and modern methods for simultaneous inference in (high-dimensional) settings and illustrate their use by a case study using the R package hdm. The R package hdm implements valid joint powerful and efficient hypothesis tests for a potentially large number of coefficients as well as the construction of simultaneous confidence intervals and, therefore, provides useful methods to perform valid post-selection inference based on the LASSO. R and the package hdm are open-source software projects and can be freely downloaded from CRAN: http://cran.r-project.org.

While Gaussian processes (GPs) are the method of choice for regression tasks, they also come with practical difficulties, as inference cost scales cubic in time and quadratic in memory. In this paper, we introduce a natural and expressive way to tackle these problems, by incorporating GPs in sum-product networks (SPNs), a recently proposed tractable probabilistic model allowing exact and efficient inference. In particular, by using GPs as leaves of an SPN we obtain a novel flexible prior over functions, which implicitly represents an exponentially large mixture of local GPs. Exact and efficient posterior inference in this model can be done in a natural interplay of the inference mechanisms in GPs and SPNs. Thereby, each GP is -- similarly as in a mixture of experts approach -- responsible only for a subset of data points, which effectively reduces inference cost in a divide and conquer fashion. We show that integrating GPs into the SPN framework leads to a promising probabilistic regression model which is: (1) computational and memory efficient, (2) allows efficient and exact posterior inference, (3) is flexible enough to mix different kernel functions, and (4) naturally accounts for non-stationarities in time series. In a variate of experiments, we show that the SPN-GP model can learn input dependent parameters and hyper-parameters and is on par with or outperforms the traditional GPs as well as state of the art approximations on real-world data.

We present a simple quantile regression-based forecasting method that was applied in a probabilistic load forecasting framework of the Global Energy Forecasting Competition 2017 (GEFCom2017). The hourly load data is log transformed and split into a long-term trend component and a remainder term. The key forecasting element is the quantile regression approach for the remainder term that takes into account weekly and annual seasonalities such as their interactions. Temperature information is only used to stabilize the forecast of the long-term trend component. Public holidays information is ignored. Still, the forecasting method placed second in the open data track and fourth in the definite data track with our forecasting method, which is remarkable given simplicity of the model. The method also outperforms the Vanilla benchmark consistently.

Feature selection can efficiently identify the most informative features with respect to the target feature used in training. However, state-of-the-art vector-based methods are unable to encapsulate the relationships between feature samples into the feature selection process, thus leading to significant information loss. To address this problem, we propose a new graph-based structurally interacting elastic net method for feature selection. Specifically, we commence by constructing feature graphs that can incorporate pairwise relationship between samples. With the feature graphs to hand, we propose a new information theoretic criterion to measure the joint relevance of different pairwise feature combinations with respect to the target feature graph representation. This measure is used to obtain a structural interaction matrix where the elements represent the proposed information theoretic measure between feature pairs. We then formulate a new optimization model through the combination of the structural interaction matrix and an elastic net regression model for the feature subset selection problem. This allows us to a) preserve the information of the original vectorial space, b) remedy the information loss of the original feature space caused by using graph representation, and c) promote a sparse solution and also encourage correlated features to be selected. Because the proposed optimization problem is non-convex, we develop an efficient alternating direction multiplier method (ADMM) to locate the optimal solutions. Extensive experiments on various datasets demonstrate the effectiveness of the proposed method. Keywords: Feature Selection; Graph; Interacting Elastic Net; Sparse; ADMM 1. Introduction There has recently been a rapid growth in both the size and dimension of the data encountered in many real world applications of pattern recognition including image processing, bioinformatics, and financial analysis. Finding useful information and building effective prediction models from such data presents new challenges for machine learning and pattern recognition [1]. One way to overcome this problem is to develop efficient spectral methods including stochastic neighbour embedding [2], elastic embedding methods [3] and feature selection [4] methods to reduce the dimensionality of the data.

Interpreting a nonparametric regression model with many predictors is known to be a challenging problem. There has been renewed interest in this topic due to the extensive use of machine learning algorithms and the difficulty in understanding and explaining their input-output relationships. This paper develops a unified framework using a derivative-based approach for existing tools in the literature, including the partial-dependence plots, marginal plots and accumulated effects plots. It proposes a new interpretation technique called the accumulated total derivative effects plot and demonstrates how its components can be used to develop extensive insights in complex regression models with correlated predictors. The techniques are illustrated through simulation results.

Multi-target prediction (MTP) is concerned with the simultaneous prediction of multiple target variables of diverse type. Due to its enormous application potential, it has developed into an active and rapidly expanding research field that combines several subfields of machine learning, including multivariate regression, multi-label classification, multi-task learning, dyadic prediction, zero-shot learning, network inference, and matrix completion. In this paper, we present a unifying view on MTP problems and methods. First, we formally discuss commonalities and differences between existing MTP problems. To this end, we introduce a general framework that covers the above subfields as special cases. As a second contribution, we provide a structured overview of MTP methods. This is accomplished by identifying a number of key properties, which distinguish such methods and determine their suitability for different types of problems. Finally, we also discuss a few challenges for future research.