Feature selection is one of the most relevant processes in any methodology for creating a statistical learning model. Usually, existing algorithms establish some criterion to select the most influential variables, discarding those that do not contribute to the model with any relevant information. This methodology makes sense in a static situation where the joint distribution of the data does not vary over time. However, when dealing with real data, it is common to encounter the problem of the dataset shift and, specifically, changes in the relationships between variables (concept shift). In this case, the influence of a variable cannot be the only indicator of its quality as a regressor of the model, since the relationship learned in the training phase may not correspond to the current situation. In tackling this problem, our approach establishes a direct relationship between the Shapley values and prediction errors, operating at a more local level to effectively detect the individual biases introduced by each variable. The proposed methodology is evaluated through various examples, including synthetic scenarios mimicking sudden and incremental shift situations, as well as two real-world cases characterized by concept shifts. Additionally, we perform three analyses of standard situations to assess the algorithm's robustness in the absence of shifts. The results demonstrate that our proposed algorithm significantly outperforms state-of-the-art feature selection methods in concept shift scenarios, while matching the performance of existing methodologies in static situations.
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We consider the general problem of Bayesian binary regression and we introduce a new class of distributions, the Perturbed Unified Skew Normal (pSUN, henceforth), which generalizes the Unified Skew-Normal (SUN) class. We show that the new class is conjugate to any binary regression model, provided that the link function may be expressed as a scale mixture of Gaussian densities. We discuss in detail the popular logit case, and we show that, when a logistic regression model is combined with a Gaussian prior, posterior summaries such as cumulants and normalizing constants can be easily obtained through the use of an importance sampling approach, opening the way to straightforward variable selection procedures. For more general priors, the proposed methodology is based on a simple Gibbs sampler algorithm. We also claim that, in the p > n case, the proposed methodology shows better performances - both in terms of mixing and accuracy - compared to the existing methods. We illustrate the performance through several simulation studies and two data analyses.
Port-Hamiltonian (PH) systems provide a framework for modeling, analysis and control of complex dynamical systems, where the complexity might result from multi-physical couplings, non-trivial domains and diverse nonlinearities. A major benefit of the PH representation is the explicit formulation of power interfaces, so-called ports, which allow for a power-preserving interconnection of subsystems to compose flexible multibody systems in a modular way. In this work, we present a PH representation of geometrically exact strings with nonlinear material behaviour. Furthermore, using structure-preserving discretization techniques a corresponding finite-dimensional PH state space model is developed. Applying mixed finite elements, the semi-discrete model retains the PH structure and the ports (pairs of velocities and forces) on the discrete level. Moreover, discrete derivatives are used in order to obtain an energy-consistent time-stepping method. The numerical properties of the newly devised model are investigated in a representative example. The developed PH state space model can be used for structure-preserving simulation and model order reduction as well as feedforward and feedback control design.
Unconstrained convex optimization problems have enormous applications in various field of science and engineering. Different iterative methods are available in literature to solve such problem, and Newton method is among the oldest and simplest one. Due to slow convergence rate of Newton's methods, many research have been carried out to modify the Newton's method for faster convergence rate. In 2019, Ghazali et al. modified Newton's method and proposed Netwon-SOR method, which is a combination of Newton method with SOR iterative method to solve a linear system. In this paper, we propose a modification of Newton-SOR method by modifying SOR method to generalized SOR method. Numerical experiments are carried out to check the efficiently of the proposed method.
When systems use data-based models that are based on machine learning (ML), errors in their results cannot be ruled out. This is particularly critical if it remains unclear to the user how these models arrived at their decisions and if errors can have safety-relevant consequences, as is often the case in the medical field. In such cases, the use of dependable methods to quantify the uncertainty remaining in a result allows the user to make an informed decision about further usage and draw possible conclusions based on a given result. This paper demonstrates the applicability and practical utility of the Uncertainty Wrapper using flow cytometry as an application from the medical field that can benefit from the use of ML models in conjunction with dependable and transparent uncertainty quantification.
Building efficient, accurate and generalizable reduced order models of developed turbulence remains a major challenge. This manuscript approaches this problem by developing a hierarchy of parameterized reduced Lagrangian models for turbulent flows, and investigates the effects of enforcing physical structure through Smoothed Particle Hydrodynamics (SPH) versus relying on neural networks (NN)s as universal function approximators. Starting from Neural Network (NN) parameterizations of a Lagrangian acceleration operator, this hierarchy of models gradually incorporates a weakly compressible and parameterized SPH framework, which enforces physical symmetries, such as Galilean, rotational and translational invariances. Within this hierarchy, two new parameterized smoothing kernels are developed in order to increase the flexibility of the learn-able SPH simulators. For each model we experiment with different loss functions which are minimized using gradient based optimization, where efficient computations of gradients are obtained by using Automatic Differentiation (AD) and Sensitivity Analysis (SA). Each model within the hierarchy is trained on two data sets associated with weekly compressible Homogeneous Isotropic Turbulence (HIT): (1) a validation set using weakly compressible SPH; and (2) a high fidelity set from Direct Numerical Simulations (DNS). Numerical evidence shows that encoding more SPH structure improves generalizability to different turbulent Mach numbers and time shifts, and that including the novel parameterized smoothing kernels improves the accuracy of SPH at the resolved scales.
When modeling a vector of risk variables, extreme scenarios are often of special interest. The peaks-over-thresholds method hinges on the notion that, asymptotically, the excesses over a vector of high thresholds follow a multivariate generalized Pareto distribution. However, existing literature has primarily concentrated on the setting when all risk variables are always large simultaneously. In reality, this assumption is often not met, especially in high dimensions. In response to this limitation, we study scenarios where distinct groups of risk variables may exhibit joint extremes while others do not. These discernible groups are derived from the angular measure inherent in the corresponding max-stable distribution, whence the term extreme direction. We explore such extreme directions within the framework of multivariate generalized Pareto distributions, with a focus on their probability density functions in relation to an appropriate dominating measure. Furthermore, we provide a stochastic construction that allows any prespecified set of risk groups to constitute the distribution's extreme directions. This construction takes the form of a smoothed max-linear model and accommodates the full spectrum of conceivable max-stable dependence structures. Additionally, we introduce a generic simulation algorithm tailored for multivariate generalized Pareto distributions, offering specific implementations for extensions of the logistic and H\"usler-Reiss families capable of carrying arbitrary extreme directions.
Deep learning has taken by storm all fields involved in data analysis, including remote sensing for Earth observation. However, despite significant advances in terms of performance, its lack of explainability and interpretability, inherent to neural networks in general since their inception, remains a major source of criticism. Hence it comes as no surprise that the expansion of deep learning methods in remote sensing is being accompanied by increasingly intensive efforts oriented towards addressing this drawback through the exploration of a wide spectrum of Explainable Artificial Intelligence techniques. This chapter, organized according to prominent Earth observation application fields, presents a panorama of the state-of-the-art in explainable remote sensing image analysis.
The present work proposes a framework for nonlinear model order reduction based on a Graph Convolutional Autoencoder (GCA-ROM). In the reduced order modeling (ROM) context, one is interested in obtaining real-time and many-query evaluations of parametric Partial Differential Equations (PDEs). Linear techniques such as Proper Orthogonal Decomposition (POD) and Greedy algorithms have been analyzed thoroughly, but they are more suitable when dealing with linear and affine models showing a fast decay of the Kolmogorov n-width. On one hand, the autoencoder architecture represents a nonlinear generalization of the POD compression procedure, allowing one to encode the main information in a latent set of variables while extracting their main features. On the other hand, Graph Neural Networks (GNNs) constitute a natural framework for studying PDE solutions defined on unstructured meshes. Here, we develop a non-intrusive and data-driven nonlinear reduction approach, exploiting GNNs to encode the reduced manifold and enable fast evaluations of parametrized PDEs. We show the capabilities of the methodology for several models: linear/nonlinear and scalar/vector problems with fast/slow decay in the physically and geometrically parametrized setting. The main properties of our approach consist of (i) high generalizability in the low-data regime even for complex regimes, (ii) physical compliance with general unstructured grids, and (iii) exploitation of pooling and un-pooling operations to learn from scattered data.
Sparse polynomial approximation has become indispensable for approximating smooth, high- or infinite-dimensional functions from limited samples. This is a key task in computational science and engineering, e.g., surrogate modelling in uncertainty quantification where the function is the solution map of a parametric or stochastic differential equation (DE). Yet, sparse polynomial approximation lacks a complete theory. On the one hand, there is a well-developed theory of best $s$-term polynomial approximation, which asserts exponential or algebraic rates of convergence for holomorphic functions. On the other, there are increasingly mature methods such as (weighted) $\ell^1$-minimization for computing such approximations. While the sample complexity of these methods has been analyzed with compressed sensing, whether they achieve best $s$-term approximation rates is not fully understood. Furthermore, these methods are not algorithms per se, as they involve exact minimizers of nonlinear optimization problems. This paper closes these gaps. Specifically, we consider the following question: are there robust, efficient algorithms for computing approximations to finite- or infinite-dimensional, holomorphic and Hilbert-valued functions from limited samples that achieve best $s$-term rates? We answer this affirmatively by introducing algorithms and theoretical guarantees that assert exponential or algebraic rates of convergence, along with robustness to sampling, algorithmic, and physical discretization errors. We tackle both scalar- and Hilbert-valued functions, this being key to parametric or stochastic DEs. Our results involve significant developments of existing techniques, including a novel restarted primal-dual iteration for solving weighted $\ell^1$-minimization problems in Hilbert spaces. Our theory is supplemented by numerical experiments demonstrating the efficacy of these algorithms.
Most algorithms for representation learning and link prediction in relational data have been designed for static data. However, the data they are applied to usually evolves with time, such as friend graphs in social networks or user interactions with items in recommender systems. This is also the case for knowledge bases, which contain facts such as (US, has president, B. Obama, [2009-2017]) that are valid only at certain points in time. For the problem of link prediction under temporal constraints, i.e., answering queries such as (US, has president, ?, 2012), we propose a solution inspired by the canonical decomposition of tensors of order 4. We introduce new regularization schemes and present an extension of ComplEx (Trouillon et al., 2016) that achieves state-of-the-art performance. Additionally, we propose a new dataset for knowledge base completion constructed from Wikidata, larger than previous benchmarks by an order of magnitude, as a new reference for evaluating temporal and non-temporal link prediction methods.
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