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Simulated Moving Bed (SMB) chromatography is a well-known technique for the resolution of several high-value-added compounds. Parameters identification and model topology definition are arduous when one is dealing with complex systems such as a Simulated Moving Bed unit. Moreover, the large number of experiments necessary might be an expansive-long process. Hence, this work proposes a novel methodology for parameter estimation, screening the most suitable topology of the models sink-source (defined by the adsorption isotherm equation) and defining the minimum number of experiments necessary to identify the model. Therefore, a nested loop optimization problem is proposed with three levels considering the three main goals of the work: parameters estimation; topology screening by isotherm definition; minimum number of experiments necessary to yield a precise model. The proposed methodology emulated a real scenario by introducing noise in the data and using a Software-in-the-Loop (SIL) approach. Data reconciliation and uncertainty evaluation add robustness to the parameter estimation adding precision and reliability to the model. The methodology is validated considering experimental data from literature apart from the samples applied for parameter estimation, following a cross-validation. The results corroborate that it is possible to carry out trustworthy parameter estimation directly from an SMB unit with minimal system knowledge.

Assigning weights to a large pool of objects is a fundamental task in a wide variety of applications. In this article, we introduce the concept of structured high-dimensional probability simplexes, in which most components are zero or near zero and the remaining ones are close to each other. Such structure is well motivated by (i) high-dimensional weights that are common in modern applications, and (ii) ubiquitous examples in which equal weights -- despite their simplicity -- often achieve favorable or even state-of-the-art predictive performance. This particular structure, however, presents unique challenges partly because, unlike high-dimensional linear regression, the parameter space is a simplex and pattern switching between partial constancy and sparsity is unknown. To address these challenges, we propose a new class of double spike Dirichlet priors to shrink a probability simplex to one with the desired structure. When applied to ensemble learning, such priors lead to a Bayesian method for structured high-dimensional ensembles that is useful for forecast combination and improving random forests, while enabling uncertainty quantification. We design efficient Markov chain Monte Carlo algorithms for implementation. Posterior contraction rates are established to study large sample behaviors of the posterior distribution. We demonstrate the wide applicability and competitive performance of the proposed methods through simulations and two real data applications using the European Central Bank Survey of Professional Forecasters data set and a data set from the UC Irvine Machine Learning Repository (UCI).

In this paper we study estimating Generalized Linear Models (GLMs) in the case where the agents (individuals) are strategic or self-interested and they concern about their privacy when reporting data. Compared with the classical setting, here we aim to design mechanisms that can both incentivize most agents to truthfully report their data and preserve the privacy of individuals' reports, while their outputs should also close to the underlying parameter. In the first part of the paper, we consider the case where the covariates are sub-Gaussian and the responses are heavy-tailed where they only have the finite fourth moments. First, motivated by the stationary condition of the maximizer of the likelihood function, we derive a novel private and closed form estimator. Based on the estimator, we propose a mechanism which has the following properties via some appropriate design of the computation and payment scheme for several canonical models such as linear regression, logistic regression and Poisson regression: (1) the mechanism is $o(1)$-jointly differentially private (with probability at least $1-o(1)$); (2) it is an $o(\frac{1}{n})$-approximate Bayes Nash equilibrium for a $(1-o(1))$-fraction of agents to truthfully report their data, where $n$ is the number of agents; (3) the output could achieve an error of $o(1)$ to the underlying parameter; (4) it is individually rational for a $(1-o(1))$ fraction of agents in the mechanism ; (5) the payment budget required from the analyst to run the mechanism is $o(1)$. In the second part, we consider the linear regression model under more general setting where both covariates and responses are heavy-tailed and only have finite fourth moments. By using an $\ell_4$-norm shrinkage operator, we propose a private estimator and payment scheme which have similar properties as in the sub-Gaussian case.

This work considers Gaussian process interpolation with a periodized version of the Mat{\'e}rn covariance function (Stein, 1999, Section 6.7) with Fourier coefficients $\phi$($\alpha$^2 + j^2)^(--$\nu$--1/2). Convergence rates are studied for the joint maximum likelihood estimation of $\nu$ and $\phi$ when the data is sampled according to the model. The mean integrated squared error is also analyzed with fixed and estimated parameters, showing that maximum likelihood estimation yields asymptotically the same error as if the ground truth was known. Finally, the case where the observed function is a ''deterministic'' element of a continuous Sobolev space is also considered, suggesting that bounding assumptions on some parameters can lead to different estimates.

Interval-censored multi-state data arise in many studies of chronic diseases, where the health status of a subject can be characterized by a finite number of disease states and the transition between any two states is only known to occur over a broad time interval. We formulate the effects of potentially time-dependent covariates on multi-state processes through semiparametric proportional intensity models with random effects. We adopt nonparametric maximum likelihood estimation (NPMLE) under general interval censoring and develop a stable expectation-maximization (EM) algorithm. We show that the resulting parameter estimators are consistent and that the finite-dimensional components are asymptotically normal with a covariance matrix that attains the semiparametric efficiency bound and can be consistently estimated through profile likelihood. In addition, we demonstrate through extensive simulation studies that the proposed numerical and inferential procedures perform well in realistic settings. Finally, we provide an application to a major epidemiologic cohort study.

In this paper, we investigate the matrix estimation problem in the multi-response regression model with measurement errors. A nonconvex error-corrected estimator based on a combination of the amended loss function and the nuclear norm regularizer is proposed to estimate the matrix parameter. Then under the (near) low-rank assumption, we analyse statistical and computational theoretical properties of global solutions of the nonconvex regularized estimator from a general point of view. In the statistical aspect, we establish the nonasymptotic recovery bound for any global solution of the nonconvex estimator, under restricted strong convexity on the loss function. In the computational aspect, we solve the nonconvex optimization problem via the proximal gradient method. The algorithm is proved to converge to a near-global solution and achieve a linear convergence rate. In addition, we also verify sufficient conditions for the general results to be held, in order to obtain probabilistic consequences for specific types of measurement errors, including the additive noise and missing data. Finally, theoretical consequences are demonstrated by several numerical experiments on corrupted errors-in-variables multi-response regression models. Simulation results reveal excellent consistency with our theory under high-dimensional scaling.

We consider a potential outcomes model in which interference may be present between any two units but the extent of interference diminishes with spatial distance. The causal estimand is the global average treatment effect, which compares outcomes under the counterfactuals that all or no units are treated. We study a class of designs in which space is partitioned into clusters that are randomized into treatment and control. For each design, we estimate the treatment effect using a Horvitz-Thompson estimator that compares the average outcomes of units with all or no neighbors treated, where the neighborhood radius is of the same order as the cluster size dictated by the design. We derive the estimator's rate of convergence as a function of the design and degree of interference and use this to obtain estimator-design pairs that achieve near-optimal rates of convergence under relatively minimal assumptions on interference. We prove that the estimators are asymptotically normal and provide a variance estimator. For practical implementation of the designs, we suggest partitioning space using clustering algorithms.

Interpretability methods are developed to understand the working mechanisms of black-box models, which is crucial to their responsible deployment. Fulfilling this goal requires both that the explanations generated by these methods are correct and that people can easily and reliably understand them. While the former has been addressed in prior work, the latter is often overlooked, resulting in informal model understanding derived from a handful of local explanations. In this paper, we introduce explanation summary (ExSum), a mathematical framework for quantifying model understanding, and propose metrics for its quality assessment. On two domains, ExSum highlights various limitations in the current practice, helps develop accurate model understanding, and reveals easily overlooked properties of the model. We also connect understandability to other properties of explanations such as human alignment, robustness, and counterfactual minimality and plausibility.

In this monograph, I introduce the basic concepts of Online Learning through a modern view of Online Convex Optimization. Here, online learning refers to the framework of regret minimization under worst-case assumptions. I present first-order and second-order algorithms for online learning with convex losses, in Euclidean and non-Euclidean settings. All the algorithms are clearly presented as instantiation of Online Mirror Descent or Follow-The-Regularized-Leader and their variants. Particular attention is given to the issue of tuning the parameters of the algorithms and learning in unbounded domains, through adaptive and parameter-free online learning algorithms. Non-convex losses are dealt through convex surrogate losses and through randomization. The bandit setting is also briefly discussed, touching on the problem of adversarial and stochastic multi-armed bandits. These notes do not require prior knowledge of convex analysis and all the required mathematical tools are rigorously explained. Moreover, all the proofs have been carefully chosen to be as simple and as short as possible.

With the rapid increase of large-scale, real-world datasets, it becomes critical to address the problem of long-tailed data distribution (i.e., a few classes account for most of the data, while most classes are under-represented). Existing solutions typically adopt class re-balancing strategies such as re-sampling and re-weighting based on the number of observations for each class. In this work, we argue that as the number of samples increases, the additional benefit of a newly added data point will diminish. We introduce a novel theoretical framework to measure data overlap by associating with each sample a small neighboring region rather than a single point. The effective number of samples is defined as the volume of samples and can be calculated by a simple formula $(1-\beta^{n})/(1-\beta)$, where $n$ is the number of samples and $\beta \in [0,1)$ is a hyperparameter. We design a re-weighting scheme that uses the effective number of samples for each class to re-balance the loss, thereby yielding a class-balanced loss. Comprehensive experiments are conducted on artificially induced long-tailed CIFAR datasets and large-scale datasets including ImageNet and iNaturalist. Our results show that when trained with the proposed class-balanced loss, the network is able to achieve significant performance gains on long-tailed datasets.