We provide the first finite-particle convergence rate for Stein variational gradient descent (SVGD), a popular algorithm for approximating a probability distribution with a collection of particles. Specifically, whenever the target distribution is sub-Gaussian with a Lipschitz score, SVGD with n particles and an appropriate step size sequence drives the kernel Stein discrepancy to zero at an order 1/sqrt(log log n) rate. We suspect that the dependence on n can be improved, and we hope that our explicit, non-asymptotic proof strategy will serve as a template for future refinements.

Discovering the causal relationship via recovering the directed acyclic graph (DAG) structure from the observed data is a well-known challenging combinatorial problem. When there are latent variables, the problem becomes even more difficult. In this paper, we first propose a DAG structure recovering algorithm, which is based on the Cholesky factorization of the covariance matrix of the observed data. The algorithm is fast and easy to implement and has theoretical grantees for exact recovery. On synthetic and real-world datasets, the algorithm is significantly faster than previous methods and achieves the state-of-the-art performance. Furthermore, under the equal error variances assumption, we incorporate an optimization procedure into the Cholesky factorization based algorithm to handle the DAG recovering problem with latent variables. Numerical simulations show that the modified "Cholesky + optimization" algorithm is able to recover the ground truth graph in most cases and outperforms existing algorithms.

To enable closed form conditioning, a common assumption in Gaussian process (GP) regression is independent and identically distributed Gaussian observation noise. This strong and simplistic assumption is often violated in practice, which leads to unreliable inferences and uncertainty quantification. Unfortunately, existing methods for robustifying GPs break closed-form conditioning, which makes them less attractive to practitioners and significantly more computationally expensive. In this paper, we demonstrate how to perform provably robust and conjugate Gaussian process (RCGP) regression at virtually no additional cost using generalised Bayesian inference. RCGP is particularly versatile as it enables exact conjugate closed form updates in all settings where standard GPs admit them. To demonstrate its strong empirical performance, we deploy RCGP for problems ranging from Bayesian optimisation to sparse variational Gaussian processes.

The $\boldsymbol{\beta}$-model for random graphs is commonly used for representing pairwise interactions in a network with degree heterogeneity. Going beyond pairwise interactions, Stasi et al. (2014) introduced the hypergraph $\boldsymbol{\beta}$-model for capturing degree heterogeneity in networks with higher-order (multi-way) interactions. In this paper we initiate the rigorous study of the hypergraph $\boldsymbol{\beta}$-model with multiple layers, which allows for hyperedges of different sizes across the layers. To begin with, we derive the rates of convergence of the maximum likelihood (ML) estimate and establish their minimax rate optimality. We also derive the limiting distribution of the ML estimate and construct asymptotically valid confidence intervals for the model parameters. Next, we consider the goodness-of-fit problem in the hypergraph $\boldsymbol{\beta}$-model. Specifically, we establish the asymptotic normality of the likelihood ratio (LR) test under the null hypothesis, derive its detection threshold, and also its limiting power at the threshold. Interestingly, the detection threshold of the LR test turns out to be minimax optimal, that is, all tests are asymptotically powerless below this threshold. The theoretical results are further validated in numerical experiments. In addition to developing the theoretical framework for estimation and inference for hypergraph $\boldsymbol{\beta}$-models, the above results fill a number of gaps in the graph $\boldsymbol{\beta}$-model literature, such as the minimax optimality of the ML estimates and the non-null properties of the LR test, which, to the best of our knowledge, have not been studied before.

The causal revolution has stimulated interest in understanding complex relationships in various fields. Most of the existing methods aim to discover causal relationships among all variables within a complex large-scale graph. However, in practice, only a small subset of variables in the graph are relevant to the outcomes of interest. Consequently, causal estimation with the full causal graph -- particularly given limited data -- could lead to numerous falsely discovered, spurious variables that exhibit high correlation with, but exert no causal impact on, the target outcome. In this paper, we propose learning a class of necessary and sufficient causal graphs (NSCG) that exclusively comprises causally relevant variables for an outcome of interest, which we term causal features. The key idea is to employ probabilities of causation to systematically evaluate the importance of features in the causal graph, allowing us to identify a subgraph relevant to the outcome of interest. To learn NSCG from data, we develop a necessary and sufficient causal structural learning (NSCSL) algorithm, by establishing theoretical properties and relationships between probabilities of causation and natural causal effects of features. Across empirical studies of simulated and real data, we demonstrate that NSCSL outperforms existing algorithms and can reveal crucial yeast genes for target heritable traits of interest.

Data assimilation, in its most comprehensive form, addresses the Bayesian inverse problem of identifying plausible state trajectories that explain noisy or incomplete observations of stochastic dynamical systems. Various approaches have been proposed to solve this problem, including particle-based and variational methods. However, most algorithms depend on the transition dynamics for inference, which becomes intractable for long time horizons or for high-dimensional systems with complex dynamics, such as oceans or atmospheres. In this work, we introduce score-based data assimilation for trajectory inference. We learn a score-based generative model of state trajectories based on the key insight that the score of an arbitrarily long trajectory can be decomposed into a series of scores over short segments. After training, inference is carried out using the score model, in a non-autoregressive manner by generating all states simultaneously. Quite distinctively, we decouple the observation model from the training procedure and use it only at inference to guide the generative process, which enables a wide range of zero-shot observation scenarios. We present theoretical and empirical evidence supporting the effectiveness of our method.

We study pointwise estimation and uncertainty quantification for a sparse variational Gaussian process method with eigenvector inducing variables. For a rescaled Brownian motion prior, we derive theoretical guarantees and limitations for the frequentist size and coverage of pointwise credible sets. For sufficiently many inducing variables, we precisely characterize the asymptotic frequentist coverage, deducing when credible sets from this variational method are conservative and when overconfident/misleading. We numerically illustrate the applicability of our results and discuss connections with other common Gaussian process priors.

We propose a causal interpretation of self-attention in the Transformer neural network architecture. We interpret self-attention as a mechanism that estimates a structural equation model for a given input sequence of symbols (tokens). The structural equation model can be interpreted, in turn, as a causal structure over the input symbols under the specific context of the input sequence. Importantly, this interpretation remains valid in the presence of latent confounders. Following this interpretation, we estimate conditional independence relations between input symbols by calculating partial correlations between their corresponding representations in the deepest attention layer. This enables learning the causal structure over an input sequence using existing constraint-based algorithms. In this sense, existing pre-trained Transformers can be utilized for zero-shot causal-discovery. We demonstrate this method by providing causal explanations for the outcomes of Transformers in two tasks: sentiment classification (NLP) and recommendation.

Discovering causal relationship using multivariate functional data has received a significant amount of attention very recently. In this article, we introduce a functional linear structural equation model for causal structure learning when the underlying graph involving the multivariate functions may have cycles. To enhance interpretability, our model involves a low-dimensional causal embedded space such that all the relevant causal information in the multivariate functional data is preserved in this lower-dimensional subspace. We prove that the proposed model is causally identifiable under standard assumptions that are often made in the causal discovery literature. To carry out inference of our model, we develop a fully Bayesian framework with suitable prior specifications and uncertainty quantification through posterior summaries. We illustrate the superior performance of our method over existing methods in terms of causal graph estimation through extensive simulation studies. We also demonstrate the proposed method using a brain EEG dataset.

The digital twin concept represents an appealing opportunity to advance condition-based and predictive maintenance paradigms for civil engineering systems, thus allowing reduced lifecycle costs, increased system safety, and increased system availability. This work proposes a predictive digital twin approach to the health monitoring, maintenance, and management planning of civil engineering structures. The asset-twin coupled dynamical system is encoded employing a probabilistic graphical model, which allows all relevant sources of uncertainty to be taken into account. In particular, the time-repeating observations-to-decisions flow is modeled using a dynamic Bayesian network. Real-time structural health diagnostics are provided by assimilating sensed data with deep learning models. The digital twin state is continually updated in a sequential Bayesian inference fashion. This is then exploited to inform the optimal planning of maintenance and management actions within a dynamic decision-making framework. A preliminary offline phase involves the population of training datasets through a reduced-order numerical model and the computation of a health-dependent control policy. The strategy is assessed on two synthetic case studies, involving a cantilever beam and a railway bridge, demonstrating the dynamic decision-making capabilities of health-aware digital twins.