We present novel bounds for estimating discrete probability distributions under the $\ell_\infty$ norm. These are nearly optimal in various precise senses, including a kind of instance-optimality. Our data-dependent convergence guarantees for the maximum likelihood estimator significantly improve upon the currently known results. A variety of techniques are utilized and innovated upon, including Chernoff-type inequalities and empirical Bernstein bounds. We illustrate our results in synthetic and real-world experiments. Finally, we apply our proposed framework to a basic selective inference problem, where we estimate the most frequent probabilities in a sample.

Bayesian optimization is a methodology to optimize black-box functions. Traditionally, it focuses on the setting where you can arbitrarily query the search space. However, many real-life problems do not offer this flexibility; in particular, the search space of the next query may depend on previous ones. Example challenges arise in the physical sciences in the form of local movement constraints, required monotonicity in certain variables, and transitions influencing the accuracy of measurements. Altogether, such transition constraints necessitate a form of planning. This work extends Bayesian optimization via the framework of Markov Decision Processes, iteratively solving a tractable linearization of our objective using reinforcement learning to obtain a policy that plans ahead over long horizons. The resulting policy is potentially history-dependent and non-Markovian. We showcase applications in chemical reactor optimization, informative path planning, machine calibration, and other synthetic examples.

Trajectory prediction has garnered widespread attention in different fields, such as autonomous driving and robotic navigation. However, due to the significant variations in trajectory patterns across different scenarios, models trained in known environments often falter in unseen ones. To learn a generalized model that can directly handle unseen domains without requiring any model updating, we propose a novel meta-learning-based trajectory prediction method called MetaTra. This approach incorporates a Dual Trajectory Transformer (Dual-TT), which enables a thorough exploration of the individual intention and the interactions within group motion patterns in diverse scenarios. Building on this, we propose a meta-learning framework to simulate the generalization process between source and target domains. Furthermore, to enhance the stability of our prediction outcomes, we propose a Serial and Parallel Training (SPT) strategy along with a feature augmentation method named MetaMix. Experimental results on several real-world datasets confirm that MetaTra not only surpasses other state-of-the-art methods but also exhibits plug-and-play capabilities, particularly in the realm of domain generalization.

Evaluating graphs learned by causal discovery algorithms is difficult: The number of edges that differ between two graphs does not reflect how the graphs differ with respect to the identifying formulas they suggest for causal effects. We introduce a framework for developing causal distances between graphs which includes the structural intervention distance for directed acyclic graphs as a special case. We use this framework to develop improved adjustment-based distances as well as extensions to completed partially directed acyclic graphs and causal orders. We develop polynomial-time reachability algorithms to compute the distances efficiently. In our package gadjid (open source at https://github.com/CausalDisco/gadjid), we provide implementations of our distances; they are orders of magnitude faster than the structural intervention distance and thereby provide a success metric for causal discovery that scales to graph sizes that were previously prohibitive.

Motivated by modern applications such as computerized adaptive testing, sequential rank aggregation, and heterogeneous data source selection, we study the problem of active sequential estimation, which involves adaptively selecting experiments for sequentially collected data. The goal is to design experiment selection rules for more accurate model estimation. Greedy information-based experiment selection methods, optimizing the information gain for one-step ahead, have been employed in practice thanks to their computational convenience, flexibility to context or task changes, and broad applicability. However, statistical analysis is restricted to one-dimensional cases due to the problem's combinatorial nature and the seemingly limited capacity of greedy algorithms, leaving the multidimensional problem open. In this study, we close the gap for multidimensional problems. In particular, we propose adopting a class of greedy experiment selection methods and provide statistical analysis for the maximum likelihood estimator following these selection rules. This class encompasses both existing methods and introduces new methods with improved numerical efficiency. We prove that these methods produce consistent and asymptotically normal estimators. Additionally, within a decision theory framework, we establish that the proposed methods achieve asymptotic optimality when the risk measure aligns with the selection rule. We also conduct extensive numerical studies on both simulated and real data to illustrate the efficacy of the proposed methods. From a technical perspective, we devise new analytical tools to address theoretical challenges. These analytical tools are of independent theoretical interest and may be reused in related problems involving stochastic approximation and sequential designs.

In this paper, we are concerned with estimating the joint probability of random variables $X$ and $Y$, given $N$ independent observation blocks $(\boldsymbol{x}^i,\boldsymbol{y}^i)$, $i=1,\ldots,N$, each of $M$ samples $(\boldsymbol{x}^i,\boldsymbol{y}^i) = \bigl((x^i_j, y^i_{\sigma^i(j)}) \bigr)_{j=1}^M$, where $\sigma^i$ denotes an unknown permutation of i.i.d. sampled pairs $(x^i_j,y_j^i)$, $j=1,\ldots,M$. This means that the internal ordering of the $M$ samples within an observation block is not known. We derive a maximum-likelihood inference functional, propose a computationally tractable approximation and analyze their properties. In particular, we prove a $\Gamma$-convergence result showing that we can recover the true density from empirical approximations as the number $N$ of blocks goes to infinity. Using entropic optimal transport kernels, we model a class of hypothesis spaces of density functions over which the inference functional can be minimized. This hypothesis class is particularly suited for approximate inference of transfer operators from data. We solve the resulting discrete minimization problem by a modification of the EMML algorithm to take addional transition probability constraints into account and prove the convergence of this algorithm. Proof-of-concept examples demonstrate the potential of our method.

Causal graph discovery is a significant problem with applications across various disciplines. However, with observational data alone, the underlying causal graph can only be recovered up to its Markov equivalence class, and further assumptions or interventions are necessary to narrow down the true graph. This work addresses the causal discovery problem under the setting of stochastic interventions with the natural goal of minimizing the number of interventions performed. We propose the following stochastic intervention model which subsumes existing adaptive noiseless interventions in the literature while capturing scenarios such as fat-hand interventions and CRISPR gene knockouts: any intervention attempt results in an actual intervention on a random subset of vertices, drawn from a distribution dependent on attempted action. Under this model, we study the two fundamental problems in causal discovery of verification and search and provide approximation algorithms with polylogarithmic competitive ratios and provide some preliminary experimental results.

In this paper, we address the top-$K$ ranking problem with a monotone adversary. We consider the scenario where a comparison graph is randomly generated and the adversary is allowed to add arbitrary edges. The statistician's goal is then to accurately identify the top-$K$ preferred items based on pairwise comparisons derived from this semi-random comparison graph. The main contribution of this paper is to develop a weighted maximum likelihood estimator (MLE) that achieves near-optimal sample complexity, up to a $\log^2(n)$ factor, where n denotes the number of items under comparison. This is made possible through a combination of analytical and algorithmic innovations. On the analytical front, we provide a refined $\ell_\infty$ error analysis of the weighted MLE that is more explicit and tighter than existing analyses. It relates the $\ell_\infty$ error with the spectral properties of the weighted comparison graph. Motivated by this, our algorithmic innovation involves the development of an SDP-based approach to reweight the semi-random graph and meet specified spectral properties. Additionally, we propose a first-order method based on the Matrix Multiplicative Weight Update (MMWU) framework. This method efficiently solves the resulting SDP in nearly-linear time relative to the size of the semi-random comparison graph.

We introduce a set of gradient-flow-guided adaptive importance sampling (IS) transformations to stabilize Monte-Carlo approximations of point-wise leave one out cross-validated (LOO) predictions for Bayesian classification models. One can leverage this methodology for assessing model generalizability by for instance computing a LOO analogue to the AIC or computing LOO ROC/PRC curves and derived metrics like the AUROC and AUPRC. By the calculus of variations and gradient flow, we derive two simple nonlinear single-step transformations that utilize gradient information to shift a model's pre-trained full-data posterior closer to the target LOO posterior predictive distributions. In doing so, the transformations stabilize importance weights. Because the transformations involve the gradient of the likelihood function, the resulting Monte Carlo integral depends on Jacobian determinants with respect to the model Hessian. We derive closed-form exact formulae for these Jacobian determinants in the cases of logistic regression and shallow ReLU-activated artificial neural networks, and provide a simple approximation that sidesteps the need to compute full Hessian matrices and their spectra. We test the methodology on an $n\ll p$ dataset that is known to produce unstable LOO IS weights.

Optimizing large-scale wireless networks, including optimal resource management, power allocation, and throughput maximization, is inherently challenging due to their non-observable system dynamics and heterogeneous and complex nature. Herein, a novel ensemble Q-learning algorithm that addresses the performance and complexity challenges of the traditional Q-learning algorithm for optimizing wireless networks is presented. Ensemble learning with synthetic Markov Decision Processes is tailored to wireless networks via new models for approximating large state-space observable wireless networks. In particular, digital cousins are proposed as an extension of the traditional digital twin concept wherein multiple Q-learning algorithms on multiple synthetic Markovian environments are run in parallel and their outputs are fused into a single Q-function. Convergence analyses of key statistics and Q-functions and derivations of upper bounds on the estimation bias and variance are provided. Numerical results across a variety of real-world wireless networks show that the proposed algorithm can achieve up to 50% less average policy error with up to 40% less runtime complexity than the state-of-the-art reinforcement learning algorithms. It is also shown that theoretical results properly predict trends in the experimental results.