This paper proposes a novel framework for certifying the fairness of predictive models trained on biased data. It draws from query answering for incomplete and inconsistent databases to formulate the problem of consistent range approximation (CRA) of fairness queries for a predictive model on a target population. The framework employs background knowledge of the data collection process and biased data, working with or without limited statistics about the target population, to compute a range of answers for fairness queries. Using CRA, the framework builds predictive models that are certifiably fair on the target population, regardless of the availability of external data during training. The framework's efficacy is demonstrated through evaluations on real data, showing substantial improvement over existing state-of-the-art methods.

This paper investigates the problem of efficient constrained global optimization of hybrid models that are a composition of a known white-box function and an expensive multi-output black-box function subject to noisy observations, which often arises in real-world science and engineering applications. We propose a novel method, Constrained Upper Quantile Bound (CUQB), to solve such problems that directly exploits the composite structure of the objective and constraint functions that we show leads substantially improved sampling efficiency. CUQB is a conceptually simple, deterministic approach that avoid constraint approximations used by previous methods. Although the CUQB acquisition function is not available in closed form, we propose a novel differentiable sample average approximation that enables it to be efficiently maximized. We further derive bounds on the cumulative regret and constraint violation under a non-parametric Bayesian representation of the black-box function. Since these bounds depend sublinearly on the number of iterations under some regularity assumptions, we establis bounds on the convergence rate to the optimal solution of the original constrained problem. In contrast to most existing methods, CUQB further incorporates a simple infeasibility detection scheme, which we prove triggers in a finite number of iterations when the original problem is infeasible (with high probability given the Bayesian model). Numerical experiments on several test problems, including environmental model calibration and real-time optimization of a reactor system, show that CUQB significantly outperforms traditional Bayesian optimization in both constrained and unconstrained cases. Furthermore, compared to other state-of-the-art methods that exploit composite structure, CUQB achieves competitive empirical performance while also providing substantially improved theoretical guarantees.

Fuzzy time series forecasting (FTSF) is a typical forecasting method with wide application. Traditional FTSF is regarded as an expert system which leads to loss of the ability to recognize undefined features. The mentioned is the main reason for poor forecasting with FTSF. To solve the problem, the proposed model Differential Fuzzy Convolutional Neural Network (DFCNN) utilizes a convolution neural network to re-implement FTSF with learnable ability. DFCNN is capable of recognizing potential information and improving forecasting accuracy. Thanks to the learnable ability of the neural network, the length of fuzzy rules established in FTSF is expended to an arbitrary length that the expert is not able to handle by the expert system. At the same time, FTSF usually cannot achieve satisfactory performance of non-stationary time series due to the trend of non-stationary time series. The trend of non-stationary time series causes the fuzzy set established by FTSF to be invalid and causes the forecasting to fail. DFCNN utilizes the Difference algorithm to weaken the non-stationary of time series so that DFCNN can forecast the non-stationary time series with a low error that FTSF cannot forecast in satisfactory performance. After the mass of experiments, DFCNN has an excellent prediction effect, which is ahead of the existing FTSF and common time series forecasting algorithms. Finally, DFCNN provides further ideas for improving FTSF and holds continued research value.

Conformal prediction is an assumption-lean approach to generating distribution-free prediction intervals or sets, for nearly arbitrary predictive models, with guaranteed finite-sample coverage. Conformal methods are an active research topic in statistics and machine learning, but only recently have they been extended to non-exchangeable data. In this paper, we invite survey methodologists to begin using and contributing to conformal methods. We introduce how conformal prediction can be applied to data from several common complex sample survey designs, under a framework of design-based inference for a finite population, and we point out gaps where survey methodologists could fruitfully apply their expertise. Our simulations empirically bear out the theoretical guarantees of finite-sample coverage, and our real-data example demonstrates how conformal prediction can be applied to complex sample survey data in practice.

--As the network scale increases, existing fully distributed solutions start to lag behind the real-world challenges such as (1) slow information propagation, (2) network communication failures, and (3) external adversarial attacks. In this paper, we focus on hierarchical system architecture and address the problem of non-Bayesian learning over networks that are vulnerable to communication failures and adversarial attacks. On network communication, we consider packet-dropping link failures. We first propose a hierarchical robust push-sum algorithm that can achieve average consensus despite frequent packet-dropping link failures. We provide a sparse information fusion rule between the parameter server and arbitrarily selected network representatives. Then, interleaving the consensus update step with a dual averaging update with Kullback-Leibler (KL) divergence as the proximal function, we obtain a packet-dropping fault-tolerant non-Bayesian learning algorithm with provable convergence guarantees. On external adversarial attacks, we consider Byzantine attacks in which the compromised agents can send maliciously calibrated messages to others (including both the agents and the parameter server). T o avoid the curse of dimensionality of Byzantine consensus, we solve the non-Bayesian learning problem via running multiple dynamics, each of which only involves Byzantine consensus with scalar inputs. T o facilitate resilient information propagation across sub-networks, we use a novel Byzantine-resilient gossiping-type rule at the parameter server . As the scale of the multi-agent network increases, existing fully distributed solutions start to lag behind the crucial real-world challenges such as (1) slow information propagation, (2) network communication failures, and (3) external adversarial attacks.

AB testing aids business operators with their decision making, and is considered the gold standard method for learning from data to improve digital user experiences. However, there is usually a gap between the requirements of practitioners, and the constraints imposed by the statistical hypothesis testing methodologies commonly used for analysis of AB tests. These include the lack of statistical power in multivariate designs with many factors, correlations between these factors, the need of sequential testing for early stopping, and the inability to pool knowledge from past tests. Here, we propose a solution that applies hierarchical Bayesian estimation to address the above limitations. In comparison to current sequential AB testing methodology, we increase statistical power by exploiting correlations between factors, enabling sequential testing and progressive early stopping, without incurring excessive false positive risk. We also demonstrate how this methodology can be extended to enable the extraction of composite global learnings from past AB tests, to accelerate future tests. We underpin our work with a solid theoretical framework that articulates the value of hierarchical estimation. We demonstrate its utility using both numerical simulations and a large set of real-world AB tests. Together, these results highlight the practical value of our approach for statistical inference in the technology industry.

Neural network (NN) potentials promise highly accurate molecular dynamics (MD) simulations within the computational complexity of classical MD force fields. However, when applied outside their training domain, NN potential predictions can be inaccurate, increasing the need for Uncertainty Quantification (UQ). Bayesian modeling provides the mathematical framework for UQ, but classical Bayesian methods based on Markov chain Monte Carlo (MCMC) are computationally intractable for NN potentials. By training graph NN potentials for coarse-grained systems of liquid water and alanine dipeptide, we demonstrate here that scalable Bayesian UQ via stochastic gradient MCMC (SG-MCMC) yields reliable uncertainty estimates for MD observables. We show that cold posteriors can reduce the required training data size and that for reliable UQ, multiple Markov chains are needed. Additionally, we find that SG-MCMC and the Deep Ensemble method achieve comparable results, despite shorter training and less hyperparameter tuning of the latter. We show that both methods can capture aleatoric and epistemic uncertainty reliably, but not systematic uncertainty, which needs to be minimized by adequate modeling to obtain accurate credible intervals for MD observables. Our results represent a step towards accurate UQ that is of vital importance for trustworthy NN potential-based MD simulations required for decision-making in practice.

Inference of transfer operators from data is often formulated as a classical problem that hinges on the Ulam method. The conventional description, known as the Ulam-Galerkin method, involves projecting onto basis functions represented as characteristic functions supported over a fine grid of rectangles. From this perspective, the Ulam-Galerkin approach can be interpreted as density estimation using the histogram method. In this study, we recast the problem within the framework of statistical density estimation. This alternative perspective allows for an explicit and rigorous analysis of bias and variance, thereby facilitating a discussion on the mean square error. Through comprehensive examples utilizing the logistic map and a Markov map, we demonstrate the validity and effectiveness of this approach in estimating the eigenvectors of the Frobenius-Perron operator. We compare the performance of Histogram Density Estimation(HDE) and Kernel Density Estimation(KDE) methods and find that KDE generally outperforms HDE in terms of accuracy. However, it is important to note that KDE exhibits limitations around boundary points and jumps. Based on our research findings, we suggest the possibility of incorporating other density estimation methods into this field and propose future investigations into the application of KDE-based estimation for high-dimensional maps. These findings provide valuable insights for researchers and practitioners working on estimating the Frobenius-Perron operator and highlight the potential of density estimation techniques in this area of study. Keywords: Transfer Operators; Frobenius-Perron operator; probability density estimation; Ulam-Galerkin method; Kernel Density Estimation; Histogram Density Estimation.

We establish a connection between stochastic optimal control and generative models based on stochastic differential equations (SDEs), such as recently developed diffusion probabilistic models. In particular, we derive a Hamilton-Jacobi-Bellman equation that governs the evolution of the log-densities of the underlying SDE marginals. This perspective allows to transfer methods from optimal control theory to generative modeling. First, we show that the evidence lower bound is a direct consequence of the well-known verification theorem from control theory. Further, we can formulate diffusion-based generative modeling as a minimization of the Kullback-Leibler divergence between suitable measures in path space. Finally, we develop a novel diffusion-based method for sampling from unnormalized densities -- a problem frequently occurring in statistics and computational sciences. We demonstrate that our time-reversed diffusion sampler (DIS) can outperform other diffusion-based sampling approaches on multiple numerical examples.

The problem of estimating causal structure from data is a central problem of causal inference. One of the earliest attempts at reconstructing causal structures, under the assumption that the underlying graph is a tree (such structures are called causal polytrees), was due to Rebane and Pearl [28], who repurposed an old algorithm of Chow and Liu [8] to give a method for consistent estimation of causal polytrees (a term that was coined in [28]). The Rebane-Pearl approach has several drawbacks in the modern context. First, it is based on mutual information, just like the original Chow-Liu algorithm. Estimating mutual information from data is notoriously time-consuming (see [6] for some numbers), and moreover, requires special assumptions on the distribution of the data. Second, it is not clear if the algorithm works in modern problems where the number of variables is far greater than the sample size.