Score estimation has recently emerged as a key modern statistical challenge, due to its pivotal role in generative modelling via diffusion models. Moreover, it is an essential ingredient in a new approach to linear regression via convex $M$-estimation, where the corresponding error densities are projected onto the log-concave class. Motivated by these applications, we study the minimax risk of score estimation with respect to squared $L^2(P_0)$-loss, where $P_0$ denotes an underlying log-concave distribution on $\mathbb{R}$. Such distributions have decreasing score functions, but on its own, this shape constraint is insufficient to guarantee a finite minimax risk. We therefore define subclasses of log-concave densities that capture two fundamental aspects of the estimation problem. First, we establish the crucial impact of tail behaviour on score estimation by determining the minimax rate over a class of log-concave densities whose score function exhibits controlled growth relative to the quantile levels. Second, we explore the interplay between smoothness and log-concavity by considering the class of log-concave densities with a scale restriction and a $(β,L)$-Hölder assumption on the log-density for some $β\in [1,2]$. We show that the minimax risk over this latter class is of order $L^{2/(2β+1)}n^{-β/(2β+1)}$ up to poly-logarithmic factors, where $n$ denotes the sample size. When $β< 2$, this rate is faster than could be obtained under either the shape constraint or the smoothness assumption alone. Our upper bounds are attained by a locally adaptive, multiscale estimator constructed from a uniform confidence band for the score function. This study highlights intriguing differences between the score estimation and density estimation problems over this shape-constrained class.

Vine copula models have become highly popular and practical tools for modelling multivariate probability distributions due to their flexibility in modelling different kinds of dependences between the random variables involved. However, their flexibility comes with the drawback of a high-dimensional parameter space. To tackle this problem, truncated vine copulas were introduced by Kurowicka (2010) (Gaussian case) and Brechmann and Czado (2013) (general case). Truncated vine copulas contain conditionally independent pair copulas after the truncation level. So far, in the general case, truncated vine constructing algorithms started from the lowest tree in order to encode the largest dependences in the lower trees. The novelty of this paper starts from the observation that a truncated vine is determined by the first tree after the truncation level (see Kovács and Szántai (2017)). This paper introduces a new score for fitting truncated vines to given data, called the Weight of the truncated vine. Then we propose a completely new methodology for constructing truncated vines. We prove theorems which motivate this new approach. While earlier algorithms did not use conditional independences, we give algorithms for constructing and encoding truncated vines which do exploit them. Finally, we illustrate the algorithms on real datasets and compare the results with well-known methods included in R packages. Our method generally compare favorably to previously known methods.

Amortized Bayesian inference (ABI) offers fast, scalable approximations to posterior densities by training neural surrogates on data simulated from the statistical model. However, ABI methods are highly sensitive to model misspecification: when observed data fall outside the training distribution (generative scope of the statistical models), neural surrogates can behave unpredictably. This makes it a challenge in a model comparison setting, where multiple statistical models are considered, of which at least some are misspecified. Recent work on self-consistency (SC) provides a promising remedy to this issue, accessible even for empirical data (without ground-truth labels). In this work, we investigate how SC can improve amortized model comparison conceptualized in four different ways. Across two synthetic and two real-world case studies, we find that approaches for model comparison that estimate marginal likelihoods through approximate parameter posteriors consistently outperform methods that directly approximate model evidence or posterior model probabilities. SC training improves robustness when the likelihood is available, even under severe model misspecification. The benefits of SC for methods without access of analytic likelihoods are more limited and inconsistent. Our results suggest practical guidance for reliable amortized Bayesian model comparison: prefer parameter posterior-based methods and augment them with SC training on empirical datasets to mitigate extrapolation bias under model misspecification.

As regulatory agencies increasingly recognise real-world evidence as a complement to traditional clinical trial data, interest has grown in applying Bayesian methods across both interventional and observational research (Boulanger and Carlin (2021). A central objective in many clinical investigations is the delineation of patient subgroups that exhibit comparable disease-related characteristics (He, Belouali, Patricoski, Lehmann, Ball, Anagnostou, Kreimeyer, and Botsis (2023)). Electronic Health Records (EHR) have become an important resource for such phenotypic analyses (Hripcsak and Albers (2013)). Bayesian approaches to patient phenotyping in clinical observational studies have been limited by the computational challenges associated with applying the Markov Chain Monte Carlo (MCMC) approach to real-world data. Hubbard, Huang, Harton, Oganisian, Choi, Utidjian, Eneli, Bailey, and Chen (2019) proposed a Bayes latent class model that could be used in a general context for observational studies that use EHR data. They consider the common clinical context where gold-standard phenotype information, such as genetic and laboratory data, is not fully available. A general model of this form has high potential applicability for use in clinical decision support across disease areas for both primary and secondary clinical databases. Latent Class Analysis (LCA) is widely used when we want to identify patient phenotypes or subgroups given multivariate data (Lanza and Rhoades (2013)). A challenge in clinical LCA is the prevalence of mixed data, where we may have combinations of continuous, nominal, ordinal and count data.

Tests of conditional independence (CI) underpin a number of important problems in machine learning and statistics, from causal discovery to evaluation of predictor fairness and out-of-distribution robustness. Shah and Peters (2020) showed that, contrary to the unconditional case, no universally finite-sample valid test can ever achieve nontrivial power. While informative, this result (based on "hiding" dependence) does not seem to explain the frequent practical failures observed with popular CI tests. We investigate the Kernel-based Conditional Independence (KCI) test - of which we show the Generalized Covariance Measure underlying many recent tests is nearly a special case - and identify the major factors underlying its practical behavior. We highlight the key role of errors in the conditional mean embedding estimate for the Type-I error, while pointing out the importance of selecting an appropriate conditioning kernel (not recognized in previous work) as being necessary for good test power but also tending to inflate Type-I error.

Kernel density estimation is a key component of a wide variety of algorithms in machine learning, Bayesian inference, stochastic dynamics and signal processing. However, the unsupervised density estimation technique requires tuning a crucial hyperparameter: the kernel bandwidth. The choice of bandwidth is critical as it controls the bias-variance trade-off by over- or under-smoothing the topological features. Topological data analysis provides methods to mathematically quantify topological characteristics, such as connected components, loops, voids et cetera, even in high dimensions where visualization of density estimates is impossible. In this paper, we propose an unsupervised learning approach using a topology-based loss function for the automated and unsupervised selection of the optimal bandwidth and benchmark it against classical techniques -- demonstrating its potential across different dimensions.

Covariate adjustment is an approach to improve the precision of trial analyses by adjusting for baseline variables that are prognostic of the primary endpoint. Motivated by the SEARCH Universal HIV Test-and-Treat Trial (2013-2017), we tell our story of developing, evaluating, and implementing a machine learning-based approach for covariate adjustment. We provide the rationale for as well as the practical concerns with such an approach for estimating marginal effects. Using schematics, we illustrate our procedure: targeted machine learning estimation (TMLE) with Adaptive Pre-specification. Briefly, sample-splitting is used to data-adaptively select the combination of estimators of the outcome regression (i.e., the conditional expectation of the outcome given the trial arm and covariates) and known propensity score (i.e., the conditional probability of being randomized to the intervention given the covariates) that minimizes the cross-validated variance estimate and, thereby, maximizes empirical efficiency. We discuss our approach for evaluating finite sample performance with parametric and plasmode simulations, pre-specifying the Statistical Analysis Plan, and unblinding in real-time on video conference with our colleagues from around the world. We present the results from applying our approach in the primary, pre-specified analysis of 8 recently published trials (2022-2024). We conclude with practical recommendations and an invitation to implement our approach in the primary analysis of your next trial.

Mixture models are widely used in modeling heterogeneous data populations. A standard approach of mixture modeling is to assume that the mixture component takes a parametric kernel form, while the flexibility of the model can be obtained by using a large or possibly unbounded number of such parametric kernels. In many applications, making parametric assumptions on the latent subpopulation distributions may be unrealistic, which motivates the need for nonparametric modeling of the mixture components themselves. In this paper we study finite mixtures with nonparametric mixture components, using a Bayesian nonparametric modeling approach. In particular, it is assumed that the data population is generated according to a finite mixture of latent component distributions, where each component is endowed with a Bayesian nonparametric prior such as the Dirichlet process mixture. We present conditions under which the individual mixture component's distributions can be identified, and establish posterior contraction behavior for the data population's density, as well as densities of the latent mixture components. We develop an efficient MCMC algorithm for posterior inference and demonstrate via simulation studies and real-world data illustrations that it is possible to efficiently learn complex distributions for the latent subpopulations. In theory, the posterior contraction rate of the component densities is nearly polynomial, which is a significant improvement over the logarithm convergence rate of estimating mixing measures via deconvolution.

Markov Chain Monte Carlo (MCMC), Laplace approximation (LA) and variational inference (VI) methods are popular approaches to Bayesian inference, each with trade-offs between computational cost and accuracy. However, a theoretical understanding of these differences is missing, particularly when both the sample size $n$ and the dimension $d$ are large. LA and Gaussian VI are justified by Bernstein-von Mises (BvM) theorems, and recent work has derived the characteristic condition $n\gg d^2$ for their validity, improving over the condition $n\gg d^3$. In this paper, we show for linear, logistic and Poisson regression that for $n\gtrsim d$, MCMC attains the same complexity scaling in $n$, $d$ as first-order optimization algorithms, up to sub-polynomial factors. Thus MCMC is competitive with LA and Gaussian VI in complexity, under a scaling between $n$ and $d$ more general than BvM regimes. Our complexities apply to appropriately scaled priors that are not necessarily Gaussian-tailed, including Student-$t$ and flat priors, with log-posteriors that are not necessarily globally concave or gradient-Lipschitz.

We present a framework using variational inference with normalizing flows (VI-NFs) to generate proposals of reversible jump Markov chain Monte Carlo (RJMCMC) for efficient trans-dimensional Bayesian inference. Unlike transport reversible jump methods relying on forward KL minimization with pilot MCMC samples, our approach minimizes the reverse KL divergence which requires only samples from a base distribution, eliminating costly target sampling. The method employs RealNVP-based flows to learn model-specific transport maps, enabling construction of both between-model and within-model proposals. Our framework provides accurate marginal likelihood estimates from the variational approximation. This facilitates efficient model comparison and proposal adaptation in RJMCMC. Experiments on illustrative example, factor analysis and variable selection tasks in linear regression show that TRJ designed by VI-NFs achieves faster mixing and more efficient model space exploration compared to existing baselines. The proposed algorithm can be extended to conditional flows for amortized vairiational inference across models. Code is available at https://github.com/YinPingping111/TRJ_VINFs.