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We introduce a physics-driven deep latent variable model (PDDLVM) to learn simultaneously parameter-to-solution (forward) and solution-to-parameter (inverse) maps of parametric partial differential equations (PDEs). Our formulation leverages conventional PDE discretization techniques, deep neural networks, probabilistic modelling, and variational inference to assemble a fully probabilistic coherent framework. In the posited probabilistic model, both the forward and inverse maps are approximated as Gaussian distributions with a mean and covariance parameterized by deep neural networks. The PDE residual is assumed to be an observed random vector of value zero, hence we model it as a random vector with a zero mean and a user-prescribed covariance. The model is trained by maximizing the probability, that is the evidence or marginal likelihood, of observing a residual of zero by maximizing the evidence lower bound (ELBO). Consequently, the proposed methodology does not require any independent PDE solves and is physics-informed at training time, allowing the real-time solution of PDE forward and inverse problems after training. The proposed framework can be easily extended to seamlessly integrate observed data to solve inverse problems and to build generative models. We demonstrate the efficiency and robustness of our method on finite element discretized parametric PDE problems such as linear and nonlinear Poisson problems, elastic shells with complex 3D geometries, and time-dependent nonlinear and inhomogeneous PDEs using a physics-informed neural network (PINN) discretization. We achieve up to three orders of magnitude speed-up after training compared to traditional finite element method (FEM), while outputting coherent uncertainty estimates.

We consider a persuasion problem between a sender and a receiver whose utility may be nonlinear in her belief; we call such receivers risk-conscious. Such utility models arise when the receiver exhibits systematic biases away from expected-utility-maximization, such as uncertainty aversion (e.g., from sensitivity to the variance of the waiting time for a service). Due to this nonlinearity, the standard approach to finding the optimal persuasion mechanism using revelation principle fails. To overcome this difficulty, we use the underlying geometry of the problem to develop a convex optimization framework to find the optimal persuasion mechanism. We define the notion of full persuasion and use our framework to characterize conditions under which full persuasion can be achieved. We use our approach to study binary persuasion, where the receiver has two actions and the sender strictly prefers one of them at every state. Under a convexity assumption, we show that the binary persuasion problem reduces to a linear program, and establish a canonical set of signals where each signal either reveals the state or induces in the receiver uncertainty between two states. Finally, we discuss the broader applicability of our methods to more general contexts, and illustrate our methodology by studying information sharing of waiting times in service systems.

In Statistical Relational Artificial Intelligence, a branch of AI and machine learning which combines the logical and statistical schools of AI, one uses the concept {\em para\-metrized probabilistic graphical model (PPGM)} to model (conditional) dependencies between random variables and to make probabilistic inferences about events on a space of "possible worlds". The set of possible worlds with underlying domain $D$ (a set of objects) can be represented by the set $\mathbf{W}_D$ of all first-order structures (for a suitable signature) with domain $D$. Using a formal logic we can describe events on $\mathbf{W}_D$. By combining a logic and a PPGM we can also define a probability distribution $\mathbb{P}_D$ on $\mathbf{W}_D$ and use it to compute the probability of an event. We consider a logic, denoted $PLA$, with truth values in the unit interval, which uses aggregation functions, such as arithmetic mean, geometric mean, maximum and minimum instead of quantifiers. However we face the problem of computational efficiency and this problem is an obstacle to the wider use of methods from Statistical Relational AI in practical applications. We address this problem by proving that the described probability will, under certain assumptions on the PPGM and the sentence $\varphi$, converge as the size of $D$ tends to infinity. The convergence result is obtained by showing that every formula $\varphi(x_1, \ldots, x_k)$ which contains only "admissible" aggregation functions (e.g. arithmetic and geometric mean, max and min) is asymptotically equivalent to a formula $\psi(x_1, \ldots, x_k)$ without aggregation functions.

Uncertainty sampling is a prevalent active learning algorithm that queries sequentially the annotations of data samples which the current prediction model is uncertain about. However, the usage of uncertainty sampling has been largely heuristic: (i) There is no consensus on the proper definition of "uncertainty" for a specific task under a specific loss; (ii) There is no theoretical guarantee that prescribes a standard protocol to implement the algorithm, for example, how to handle the sequentially arrived annotated data under the framework of optimization algorithms such as stochastic gradient descent. In this work, we systematically examine uncertainty sampling algorithms under both stream-based and pool-based active learning. We propose a notion of equivalent loss which depends on the used uncertainty measure and the original loss function and establish that an uncertainty sampling algorithm essentially optimizes against such an equivalent loss. The perspective verifies the properness of existing uncertainty measures from two aspects: surrogate property and loss convexity. Furthermore, we propose a new notion for designing uncertainty measures called \textit{loss as uncertainty}. The idea is to use the conditional expected loss given the features as the uncertainty measure. Such an uncertainty measure has nice analytical properties and generality to cover both classification and regression problems, which enable us to provide the first generalization bound for uncertainty sampling algorithms under both stream-based and pool-based settings, in the full generality of the underlying model and problem. Lastly, we establish connections between certain variants of the uncertainty sampling algorithms with risk-sensitive objectives and distributional robustness, which can partly explain the advantage of uncertainty sampling algorithms when the sample size is small.

Bayesian network (BN) structure discovery algorithms typically either make assumptions about the sparsity of the true underlying network, or are limited by computational constraints to networks with a small number of variables. While these sparsity assumptions can take various forms, frequently the assumptions focus on an upper bound for the maximum in-degree of the underlying graph $\nabla_G$. Theorem 2 in Duttweiler et. al. (2023) demonstrates that the largest eigenvalue of the normalized inverse covariance matrix ($\Omega$) of a linear BN is a lower bound for $\nabla_G$. Building on this result, this paper provides the asymptotic properties of, and a debiasing procedure for, the sample eigenvalues of $\Omega$, leading to a hypothesis test that may be used to determine if the BN has max in-degree greater than 1. A linear BN structure discovery workflow is suggested in which the investigator uses this hypothesis test to aid in selecting an appropriate structure discovery algorithm. The hypothesis test performance is evaluated through simulations and the workflow is demonstrated on data from a human psoriasis study.

Data-driven control in unknown environments requires a clear understanding of the involved uncertainties for ensuring safety and efficient exploration. While aleatoric uncertainty that arises from measurement noise can often be explicitly modeled given a parametric description, it can be harder to model epistemic uncertainty, which describes the presence or absence of training data. The latter can be particularly useful for implementing exploratory control strategies when system dynamics are unknown. We propose a novel method for detecting the absence of training data using deep learning, which gives a continuous valued scalar output between $0$ (indicating low uncertainty) and $1$ (indicating high uncertainty). We utilize this detector as a proxy for epistemic uncertainty and show its advantages over existing approaches on synthetic and real-world datasets. Our approach can be directly combined with aleatoric uncertainty estimates and allows for uncertainty estimation in real-time as the inference is sample-free unlike existing approaches for uncertainty modeling. We further demonstrate the practicality of this uncertainty estimate in deploying online data-efficient control on a simulated quadcopter acted upon by an unknown disturbance model.

Uncertainty quantification is an essential task in machine learning - a task in which neural networks (NNs) have traditionally not excelled. This can be a limitation for safety-critical applications, where uncertainty-aware methods like Gaussian processes or Bayesian linear regression are often preferred. Bayesian neural networks are an approach to address this limitation. They assume probability distributions for all parameters and yield distributed predictions. However, training and inference are typically intractable and approximations must be employed. A promising approximation is NNs with Bayesian last layer (BLL). They assume distributed weights only in the last linear layer and yield a normally distributed prediction. NNs with BLL can be seen as a Bayesian linear regression model with learned nonlinear features. To approximate the intractable Bayesian neural network, point estimates of the distributed weights in all but the last layer should be obtained by maximizing the marginal likelihood. This has previously been challenging, as the marginal likelihood is expensive to evaluate in this setting and prohibits direct training through backpropagation. We present a reformulation of the log-marginal likelihood of a NN with BLL which allows for efficient training using backpropagation. Furthermore, we address the challenge of quantifying uncertainty for extrapolation points. We provide a metric to quantify the degree of extrapolation and derive a method to improve the uncertainty quantification for these points. Our methods are derived for the multivariate case and demonstrated in a simulation study, where we compare Bayesian linear regression applied to a previously trained neural network with our proposed algorithm

Inverse UQ is the process to inversely quantify the model input uncertainties based on experimental data. This work focuses on developing an inverse UQ process for time-dependent responses, using dimensionality reduction by functional principal component analysis (PCA) and deep neural network (DNN)-based surrogate models. The demonstration is based on the inverse UQ of TRACE physical model parameters using the FEBA transient experimental data. The measurement data is time-dependent peak cladding temperature (PCT). Since the quantity-of-interest (QoI) is time-dependent that corresponds to infinite-dimensional responses, PCA is used to reduce the QoI dimension while preserving the transient profile of the PCT, in order to make the inverse UQ process more efficient. However, conventional PCA applied directly to the PCT time series profiles can hardly represent the data precisely due to the sudden temperature drop at the time of quenching. As a result, a functional alignment method is used to separate the phase and amplitude information of the transient PCT profiles before dimensionality reduction. DNNs are then trained using PC scores from functional PCA to build surrogate models of TRACE in order to reduce the computational cost in Markov Chain Monte Carlo sampling. Bayesian neural networks are used to estimate the uncertainties of DNN surrogate model predictions. In this study, we compared four different inverse UQ processes with different dimensionality reduction methods and surrogate models. The proposed approach shows an improvement in reducing the dimension of the TRACE transient simulations, and the forward propagation of inverse UQ results has a better agreement with the experimental data.

Cell type deconvolution is a computational method that estimates the proportions of different cell types within bulk transcriptomics data by leveraging information from reference single-cell RNA sequencing data. Despite its origin as a simple linear regression model, this approach faces challenges due to technical and biological variability and biases between the bulk and single-cell datasets. While several new methods have been developed, most only provide point estimates of cell type proportions, neglecting the uncertainty inherent in these estimates. Consequently, false positives can arise when comparing changes in cell type proportions across multiple individuals. In this paper, we introduce MEAD, a comprehensive statistical framework for efficient cell type deconvolution. Our approach constructs asymptotically valid confidence intervals for individual cell type proportions, as well as for quantifying changes in cell type proportions across multiple individuals. Our analysis accounts for factors such as biological variability in gene expressions, gene-gene dependence, cross-platform biases, and sequencing errors, without relying on parametric assumptions about the data distributions. Moreover, we establish necessary and sufficient conditions for identifying cell type proportions in the presence of platform-specific biases across sequencing technologies.

While existing work in robust deep learning has focused on small pixel-level $\ell_p$ norm-based perturbations, this may not account for perturbations encountered in several real world settings. In many such cases although test data might not be available, broad specifications about the types of perturbations (such as an unknown degree of rotation) may be known. We consider a setup where robustness is expected over an unseen test domain that is not i.i.d. but deviates from the training domain. While this deviation may not be exactly known, its broad characterization is specified a priori, in terms of attributes. We propose an adversarial training approach which learns to generate new samples so as to maximize exposure of the classifier to the attributes-space, without having access to the data from the test domain. Our adversarial training solves a min-max optimization problem, with the inner maximization generating adversarial perturbations, and the outer minimization finding model parameters by optimizing the loss on adversarial perturbations generated from the inner maximization. We demonstrate the applicability of our approach on three types of naturally occurring perturbations -- object-related shifts, geometric transformations, and common image corruptions. Our approach enables deep neural networks to be robust against a wide range of naturally occurring perturbations. We demonstrate the usefulness of the proposed approach by showing the robustness gains of deep neural networks trained using our adversarial training on MNIST, CIFAR-10, and a new variant of the CLEVR dataset.