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Noise Contrastive Estimation (NCE) is a popular approach for learning probability density functions parameterized up to a constant of proportionality. The main idea is to design a classification problem for distinguishing training data from samples from an easy-to-sample noise distribution $q$, in a manner that avoids having to calculate a partition function. It is well-known that the choice of $q$ can severely impact the computational and statistical efficiency of NCE. In practice, a common choice for $q$ is a Gaussian which matches the mean and covariance of the data. In this paper, we show that such a choice can result in an exponentially bad (in the ambient dimension) conditioning of the Hessian of the loss, even for very simple data distributions. As a consequence, both the statistical and algorithmic complexity for such a choice of $q$ will be problematic in practice, suggesting that more complex noise distributions are essential to the success of NCE.

Bayesian Optimization (BO) is a class of black-box, surrogate-based heuristics that can efficiently optimize problems that are expensive to evaluate, and hence admit only small evaluation budgets. BO is particularly popular for solving numerical optimization problems in industry, where the evaluation of objective functions often relies on time-consuming simulations or physical experiments. However, many industrial problems depend on a large number of parameters. This poses a challenge for BO algorithms, whose performance is often reported to suffer when the dimension grows beyond 15 variables. Although many new algorithms have been proposed to address this problem, it is not well understood which one is the best for which optimization scenario. In this work, we compare five state-of-the-art high-dimensional BO algorithms, with vanilla BO and CMA-ES on the 24 BBOB functions of the COCO environment at increasing dimensionality, ranging from 10 to 60 variables. Our results confirm the superiority of BO over CMA-ES for limited evaluation budgets and suggest that the most promising approach to improve BO is the use of trust regions. However, we also observe significant performance differences for different function landscapes and budget exploitation phases, indicating improvement potential, e.g., through hybridization of algorithmic components.

The Net Promoter Score is a simple measure used by several companies as indicator of customer loyalty. Studies that address the statistical properties of this measure are still scarce and none of them considered the sample size determination problem. We adopt a Bayesian approach to provide point and interval estimators for the Net Promoter Score and discuss the determination of the sample size. Computational tools were implemented to use this methodology in practice. An illustrative example with data from financial services is also presented.

We apply a new method for learning equations from data -- Exhaustive Symbolic Regression (ESR) -- to late-type galaxy dynamics as encapsulated in the radial acceleration relation (RAR). Relating the centripetal acceleration due to baryons, $g_\text{bar}$, to the total dynamical acceleration, $g_\text{obs}$, the RAR has been claimed to manifest a new law of nature due to its regularity and tightness, in agreement with Modified Newtonian Dynamics (MOND). Fits to this relation have been restricted by prior expectations to particular functional forms, while ESR affords an exhaustive and nearly prior-free search through functional parameter space to identify the equations optimally trading accuracy with simplicity. Working with the SPARC data, we find the best functions typically satisfy $g_\text{obs} \propto g_\text{bar}$ at high $g_\text{bar}$, although the coefficient of proportionality is not clearly unity and the deep-MOND limit $g_\text{obs} \propto \sqrt{g_\text{bar}}$ as $g_\text{bar} \to 0$ is little evident at all. By generating mock data according to MOND with or without the external field effect, we find that symbolic regression would not be expected to identify the generating function or reconstruct successfully the asymptotic slopes. We conclude that the limited dynamical range and significant uncertainties of the SPARC RAR preclude a definitive statement of its functional form, and hence that this data alone can neither demonstrate nor rule out law-like gravitational behaviour.

A lower bound is an important tool for predicting the performance that an estimator can achieve under a particular statistical model. Bayesian bounds are a kind of such bounds which not only utilizes the observation statistics but also includes the prior model information. In reality, however, the true model generating the data is either unknown or simplified when deriving estimators, which motivates the works to derive estimation bounds under modeling mismatch situations. This paper provides a derivation of a Bayesian Cram\'{e}r-Rao bound under model misspecification, defining important concepts such as pseudotrue parameter that were not clearly identified in previous works. The general result is particularized in linear and Gaussian problems, where closed-forms are available and results are used to validate the results.

We introduce the Weak-form Estimation of Nonlinear Dynamics (WENDy) method for estimating model parameters for non-linear systems of ODEs. The core mathematical idea involves an efficient conversion of the strong form representation of a model to its weak form, and then solving a regression problem to perform parameter inference. The core statistical idea rests on the Errors-In-Variables framework, which necessitates the use of the iteratively reweighted least squares algorithm. Further improvements are obtained by using orthonormal test functions, created from a set of $C^{\infty}$ bump functions of varying support sizes. We demonstrate that WENDy is a highly robust and efficient method for parameter inference in differential equations. Without relying on any numerical differential equation solvers, WENDy computes accurate estimates and is robust to large (biologically relevant) levels of measurement noise. For low dimensional systems with modest amounts of data, WENDy is competitive with conventional forward solver-based nonlinear least squares methods in terms of speed and accuracy. For both higher dimensional systems and stiff systems, WENDy is typically both faster (often by orders of magnitude) and more accurate than forward solver-based approaches. We illustrate the method and its performance in some common population and neuroscience models, including logistic growth, Lotka-Volterra, FitzHugh-Nagumo, Hindmarsh-Rose, and a Protein Transduction Benchmark model. Software and code for reproducing the examples is available at (//github.com/MathBioCU/WENDy).

We adopt an information-theoretic framework to analyze the generalization behavior of the class of iterative, noisy learning algorithms. This class is particularly suitable for study under information-theoretic metrics as the algorithms are inherently randomized, and it includes commonly used algorithms such as Stochastic Gradient Langevin Dynamics (SGLD). Herein, we use the maximal leakage (equivalently, the Sibson mutual information of order infinity) metric, as it is simple to analyze, and it implies both bounds on the probability of having a large generalization error and on its expected value. We show that, if the update function (e.g., gradient) is bounded in $L_2$-norm, then adding isotropic Gaussian noise leads to optimal generalization bounds: indeed, the input and output of the learning algorithm in this case are asymptotically statistically independent. Furthermore, we demonstrate how the assumptions on the update function affect the optimal (in the sense of minimizing the induced maximal leakage) choice of the noise. Finally, we compute explicit tight upper bounds on the induced maximal leakage for several scenarios of interest.

Bayesian optimization (BO) primarily uses Gaussian processes (GP) as the key surrogate model, mostly with a simple stationary and separable kernel function such as the widely used squared-exponential kernel with automatic relevance determination (SE-ARD). However, such simple kernel specifications are deficient in learning functions with complex features, such as being nonstationary, nonseparable, and multimodal. Approximating such functions using a local GP, even in a low-dimensional space, will require a large number of samples, not to mention in a high-dimensional setting. In this paper, we propose to use Bayesian Kernelized Tensor Factorization (BKTF) -- as a new surrogate model -- for BO in a D-dimensional Cartesian product space. Our key idea is to approximate the underlying D-dimensional solid with a fully Bayesian low-rank tensor CP decomposition, in which we place GP priors on the latent basis functions for each dimension to encode local consistency and smoothness. With this formulation, information from each sample can be shared not only with neighbors but also across dimensions. Although BKTF no longer has an analytical posterior, we can still efficiently approximate the posterior distribution through Markov chain Monte Carlo (MCMC) and obtain prediction and full uncertainty quantification (UQ). We conduct numerical experiments on both standard BO testing problems and machine learning hyperparameter tuning problems, and our results confirm the superiority of BKTF in terms of sample efficiency.

Many problems arising in control require the determination of a mathematical model of the application. This has often to be performed starting from input-output data, leading to a task known as system identification in the engineering literature. One emerging topic in this field is estimation of networks consisting of several interconnected dynamic systems. We consider the linear setting assuming that system outputs are the result of many correlated inputs, hence making system identification severely ill-conditioned. This is a scenario often encountered when modeling complex cybernetics systems composed by many sub-units with feedback and algebraic loops. We develop a strategy cast in a Bayesian regularization framework where any impulse response is seen as realization of a zero-mean Gaussian process. Any covariance is defined by the so called stable spline kernel which includes information on smooth exponential decay. We design a novel Markov chain Monte Carlo scheme able to reconstruct the impulse responses posterior by efficiently dealing with collinearity. Our scheme relies on a variation of the Gibbs sampling technique: beyond considering blocks forming a partition of the parameter space, some other (overlapping) blocks are also updated on the basis of the level of collinearity of the system inputs. Theoretical properties of the algorithm are studied obtaining its convergence rate. Numerical experiments are included using systems containing hundreds of impulse responses and highly correlated inputs.

GAN inversion aims to invert a given image back into the latent space of a pretrained GAN model, for the image to be faithfully reconstructed from the inverted code by the generator. As an emerging technique to bridge the real and fake image domains, GAN inversion plays an essential role in enabling the pretrained GAN models such as StyleGAN and BigGAN to be used for real image editing applications. Meanwhile, GAN inversion also provides insights on the interpretation of GAN's latent space and how the realistic images can be generated. In this paper, we provide an overview of GAN inversion with a focus on its recent algorithms and applications. We cover important techniques of GAN inversion and their applications to image restoration and image manipulation. We further elaborate on some trends and challenges for future directions.