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This work studies an experimental design problem where {the values of a predictor variable, denoted by $x$}, are to be determined with the goal of estimating a function $m(x)$, which is observed with noise. A linear model is fitted to $m(x)$ but it is not assumed that the model is correctly specified. It follows that the quantity of interest is the best linear approximation of $m(x)$, which is denoted by $\ell(x)$. It is shown that in this framework the ordinary least squares estimator typically leads to an inconsistent estimation of $\ell(x)$, and rather weighted least squares should be considered. An asymptotic minimax criterion is formulated for this estimator, and a design that minimizes the criterion is constructed. An important feature of this problem is that the $x$'s should be random, rather than fixed. Otherwise, the minimax risk is infinite. It is shown that the optimal random minimax design is different from its deterministic counterpart, which was studied previously, and a simulation study indicates that it generally performs better when $m(x)$ is a quadratic or a cubic function. Another finding is that when the variance of the noise goes to infinity, the random and deterministic minimax designs coincide. The results are illustrated for polynomial regression models and the general case is also discussed.

Recently, there is an emerging interest in adversarially training a classifier with a rejection option (also known as a selective classifier) for boosting adversarial robustness. While rejection can incur a cost in many applications, existing studies typically associate zero cost with rejecting perturbed inputs, which can result in the rejection of numerous slightly-perturbed inputs that could be correctly classified. In this work, we study adversarially-robust classification with rejection in the stratified rejection setting, where the rejection cost is modeled by rejection loss functions monotonically non-increasing in the perturbation magnitude. We theoretically analyze the stratified rejection setting and propose a novel defense method -- Adversarial Training with Consistent Prediction-based Rejection (CPR) -- for building a robust selective classifier. Experiments on image datasets demonstrate that the proposed method significantly outperforms existing methods under strong adaptive attacks. For instance, on CIFAR-10, CPR reduces the total robust loss (for different rejection losses) by at least 7.3% under both seen and unseen attacks.

Bayesian neural networks (BNNs) have recently regained a significant amount of attention in the deep learning community due to the development of scalable approximate Bayesian inference techniques. There are several advantages of using a Bayesian approach: Parameter and prediction uncertainties become easily available, facilitating rigorous statistical analysis. Furthermore, prior knowledge can be incorporated. However, so far, there have been no scalable techniques capable of combining both structural and parameter uncertainty. In this paper, we apply the concept of model uncertainty as a framework for structural learning in BNNs and hence make inference in the joint space of structures/models and parameters. Moreover, we suggest an adaptation of a scalable variational inference approach with reparametrization of marginal inclusion probabilities to incorporate the model space constraints. Experimental results on a range of benchmark datasets show that we obtain comparable accuracy results with the competing models, but based on methods that are much more sparse than ordinary BNNs.

To estimate causal effects, analysts performing observational studies in health settings utilize several strategies to mitigate bias due to confounding by indication. There are two broad classes of approaches for these purposes: use of confounders and instrumental variables (IVs). Because such approaches are largely characterized by untestable assumptions, analysts must operate under an indefinite paradigm that these methods will work imperfectly. In this tutorial, we formalize a set of general principles and heuristics for estimating causal effects in the two approaches when the assumptions are potentially violated. This crucially requires reframing the process of observational studies as hypothesizing potential scenarios where the estimates from one approach are less inconsistent than the other. While most of our discussion of methodology centers around the linear setting, we touch upon complexities in non-linear settings and flexible procedures such as target minimum loss-based estimation (TMLE) and double machine learning (DML). To demonstrate the application of our principles, we investigate the use of donepezil off-label for mild cognitive impairment (MCI). We compare and contrast results from confounder and IV methods, traditional and flexible, within our analysis and to a similar observational study and clinical trial.

Federated machine learning is growing fast in academia and industries as a solution to solve data hungriness and privacy issues in machine learning. Being a widely distributed system, federated machine learning requires various system design thinking. To better design a federated machine learning system, researchers have introduced multiple patterns and tactics that cover various system design aspects. However, the multitude of patterns leaves the designers confused about when and which pattern to adopt. In this paper, we present a set of decision models for the selection of patterns for federated machine learning architecture design based on a systematic literature review on federated machine learning, to assist designers and architects who have limited knowledge of federated machine learning. Each decision model maps functional and non-functional requirements of federated machine learning systems to a set of patterns. We also clarify the drawbacks of the patterns. We evaluated the decision models by mapping the decision patterns to concrete federated machine learning architectures by big tech firms to assess the models' correctness and usefulness. The evaluation results indicate that the proposed decision models are able to bring structure to the federated machine learning architecture design process and help explicitly articulate the design rationale.

The Naive Bayesian classifier is a popular classification method employing the Bayesian paradigm. The concept of having conditional dependence among input variables sounds good in theory but can lead to a majority vote style behaviour. Achieving conditional independence is often difficult, and they introduce decision biases in the estimates. In Naive Bayes, certain features are called independent features as they have no conditional correlation or dependency when predicting a classification. In this paper, we focus on the optimal partition of features by proposing a novel technique called the Comonotone-Independence Classifier (CIBer) which is able to overcome the challenges posed by the Naive Bayes method. For different datasets, we clearly demonstrate the efficacy of our technique, where we achieve lower error rates and higher or equivalent accuracy compared to models such as Random Forests and XGBoost.

Causal discovery and causal reasoning are classically treated as separate and consecutive tasks: one first infers the causal graph, and then uses it to estimate causal effects of interventions. However, such a two-stage approach is uneconomical, especially in terms of actively collected interventional data, since the causal query of interest may not require a fully-specified causal model. From a Bayesian perspective, it is also unnatural, since a causal query (e.g., the causal graph or some causal effect) can be viewed as a latent quantity subject to posterior inference -- other unobserved quantities that are not of direct interest (e.g., the full causal model) ought to be marginalized out in this process and contribute to our epistemic uncertainty. In this work, we propose Active Bayesian Causal Inference (ABCI), a fully-Bayesian active learning framework for integrated causal discovery and reasoning, which jointly infers a posterior over causal models and queries of interest. In our approach to ABCI, we focus on the class of causally-sufficient, nonlinear additive noise models, which we model using Gaussian processes. We sequentially design experiments that are maximally informative about our target causal query, collect the corresponding interventional data, and update our beliefs to choose the next experiment. Through simulations, we demonstrate that our approach is more data-efficient than several baselines that only focus on learning the full causal graph. This allows us to accurately learn downstream causal queries from fewer samples while providing well-calibrated uncertainty estimates for the quantities of interest.

We consider the problem of discovering $K$ related Gaussian directed acyclic graphs (DAGs), where the involved graph structures share a consistent causal order and sparse unions of supports. Under the multi-task learning setting, we propose a $l_1/l_2$-regularized maximum likelihood estimator (MLE) for learning $K$ linear structural equation models. We theoretically show that the joint estimator, by leveraging data across related tasks, can achieve a better sample complexity for recovering the causal order (or topological order) than separate estimations. Moreover, the joint estimator is able to recover non-identifiable DAGs, by estimating them together with some identifiable DAGs. Lastly, our analysis also shows the consistency of union support recovery of the structures. To allow practical implementation, we design a continuous optimization problem whose optimizer is the same as the joint estimator and can be approximated efficiently by an iterative algorithm. We validate the theoretical analysis and the effectiveness of the joint estimator in experiments.

Time series forecasting is widely used in business intelligence, e.g., forecast stock market price, sales, and help the analysis of data trend. Most time series of interest are macroscopic time series that are aggregated from microscopic data. However, instead of directly modeling the macroscopic time series, rare literature studied the forecasting of macroscopic time series by leveraging data on the microscopic level. In this paper, we assume that the microscopic time series follow some unknown mixture probabilistic distributions. We theoretically show that as we identify the ground truth latent mixture components, the estimation of time series from each component could be improved because of lower variance, thus benefitting the estimation of macroscopic time series as well. Inspired by the power of Seq2seq and its variants on the modeling of time series data, we propose Mixture of Seq2seq (MixSeq), an end2end mixture model to cluster microscopic time series, where all the components come from a family of Seq2seq models parameterized by different parameters. Extensive experiments on both synthetic and real-world data show the superiority of our approach.

Graph neural networks (GNNs) are a popular class of machine learning models whose major advantage is their ability to incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such a graph-structure is available. In practice, however, real-world graphs are often noisy and incomplete or might not be available at all. With this work, we propose to jointly learn the graph structure and the parameters of graph convolutional networks (GCNs) by approximately solving a bilevel program that learns a discrete probability distribution on the edges of the graph. This allows one to apply GCNs not only in scenarios where the given graph is incomplete or corrupted but also in those where a graph is not available. We conduct a series of experiments that analyze the behavior of the proposed method and demonstrate that it outperforms related methods by a significant margin.