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In this paper, we show that in a parallel processing system, if a partial order is induced among the local states visited by a node, then synchronization cost can be eliminated. As a result of this partial order, a DAG is induced among the global states. Specifically, we show that in such systems, correctness is preserved even if the nodes execute asynchronously and read old information of other nodes. We present two variations for inducing DAGs -- \textit{DAG-inducing problems}, where the problem definition itself induces a DAG, and \textit{DAG-inducing algorithms}, where a DAG is induced by the algorithm. We demonstrate that the dominant clique (DC) problem and shortest path (SP) problem are DAG-inducing problems. Among these, DC allows self-stabilization, whereas the algorithm that we present for SP does not. We demonstrate that maximal matching (MM) is not a DAG-inducing problem. However, a DAG-inducing algorithm can be developed for it. The algorithm for MM allows self-stabilization. This algorithm converges in $2n$ moves and does not require a synchronous environment, which is an improvement over the existing algorithms in the literature. The algorithm for DC converges in $2m$ moves, and the algorithm for SP converges in $\mathcal{D}$ rounds. ($n$ is the number of nodes and $m$ is the number of edges in the input graph, and $\mathcal{D}$ is its diameter.) We also note that DAG-inducing problems are more general than, and encapsulate, lattice linear problems (Garg, SPAA 2020). Similarly, DAG-inducing algorithms encapsulate lattice linear algorithms (Gupta and Kulkarni, SSS 2022). We also show that a partial order induced among the local states visited by a node, as discussed above, is a necessary and sufficient condition to allow asynchrony.

In uncertainty quantification, variance-based global sensitivity analysis quantitatively determines the effect of each input random variable on the output by partitioning the total output variance into contributions from each input. However, computing conditional expectations can be prohibitively costly when working with expensive-to-evaluate models. Surrogate models can accelerate this, yet their accuracy depends on the quality and quantity of training data, which is expensive to generate (experimentally or computationally) for complex engineering systems. Thus, methods that work with limited data are desirable. We propose a diffeomorphic modulation under observable response preserving homotopy (D-MORPH) regression to train a polynomial dimensional decomposition surrogate of the output that minimizes the number of training data. The new method first computes a sparse Lasso solution and uses it to define the cost function. A subsequent D-MORPH regression minimizes the difference between the D-MORPH and Lasso solution. The resulting D-MORPH surrogate is more robust to input variations and more accurate with limited training data. We illustrate the accuracy and computational efficiency of the new surrogate for global sensitivity analysis using mathematical functions and an expensive-to-simulate model of char combustion. The new method is highly efficient, requiring only 15% of the training data compared to conventional regression.

The multi allocation p-hub median problem (MApHM), the multi allocation uncapacitated hub location problem (MAuHLP) and the multi allocation p-hub location problem (MApHLP) are common hub location problems with several practical applications. HLPs aim to construct a network for routing tasks between different locations. Specifically, a set of hubs must be chosen and each routing must be performed using one or two hubs as stopovers. The costs between two hubs are discounted. The objective is to minimize the total transportation cost in the MApHM and additionally to minimize the set-up costs for the hubs in the MAuHLP and MApHLP. In this paper, an approximation algorithm to solve these problems is developed, which improves the approximation bound for MApHM to 3.451, for MAuHLP to 2.173 and for MApHLP to 4.552 when combined with the algorithm of Benedito & Pedrosa. The proposed algorithm is capable of solving much bigger instances than any exact algorithm in the literature. New benchmark instances have been created and published for evaluation, such that HLP algorithms can be tested and compared on huge instances. The proposed algorithm performs on most instances better than the algorithm of Benedito & Pedrosa, which was the only known approximation algorithm for these problems by now.

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.

Off-policy evaluation (OPE) aims to estimate the benefit of following a counterfactual sequence of actions, given data collected from executed sequences. However, existing OPE estimators often exhibit high bias and high variance in problems involving large, combinatorial action spaces. We investigate how to mitigate this issue using factored action spaces i.e. expressing each action as a combination of independent sub-actions from smaller action spaces. This approach facilitates a finer-grained analysis of how actions differ in their effects. In this work, we propose a new family of "decomposed" importance sampling (IS) estimators based on factored action spaces. Given certain assumptions on the underlying problem structure, we prove that the decomposed IS estimators have less variance than their original non-decomposed versions, while preserving the property of zero bias. Through simulations, we empirically verify our theoretical results, probing the validity of various assumptions. Provided with a technique that can derive the action space factorisation for a given problem, our work shows that OPE can be improved "for free" by utilising this inherent problem structure.

Automated synthesis of provably correct controllers for cyber-physical systems is crucial for deployment in safety-critical scenarios. However, hybrid features and stochastic or unknown behaviours make this problem challenging. We propose a method for synthesising controllers for Markov jump linear systems (MJLSs), a class of discrete-time models for cyber-physical systems, so that they certifiably satisfy probabilistic computation tree logic (PCTL) formulae. An MJLS consists of a finite set of stochastic linear dynamics and discrete jumps between these dynamics that are governed by a Markov decision process (MDP). We consider the cases where the transition probabilities of this MDP are either known up to an interval or completely unknown. Our approach is based on a finite-state abstraction that captures both the discrete (mode-jumping) and continuous (stochastic linear) behaviour of the MJLS. We formalise this abstraction as an interval MDP (iMDP) for which we compute intervals of transition probabilities using sampling techniques from the so-called 'scenario approach', resulting in a probabilistically sound approximation. We apply our method to multiple realistic benchmark problems, in particular, a temperature control and an aerial vehicle delivery problem.

Safety is one of the fundamental challenges in control theory. Recently, multi-step optimal control problems for discrete-time dynamical systems were formulated to enforce stability, while subject to input constraints as well as safety-critical requirements using discrete-time control barrier functions within a model predictive control (MPC) framework. Existing work usually focus on the feasibility or the safety for the optimization problem, and the majority of the existing work restrict the discussions to relative-degree one control barrier functions. Additionally, the real-time computation is challenging when a large horizon is considered in the MPC problem for relative-degree one or high-order control barrier functions. In this paper, we propose a framework that solves the safety-critical MPC problem in an iterative optimization, which is applicable for any relative-degree control barrier functions. In the proposed formulation, the nonlinear system dynamics as well as the safety constraints modeled as discrete-time high-order control barrier functions (DHOCBF) are linearized at each time step. Our formulation is generally valid for any control barrier function with an arbitrary relative-degree. The advantages of fast computational performance with safety guarantee are analyzed and validated with numerical results.

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.

We study the problem of Out-of-Distribution (OOD) detection, that is, detecting whether a learning algorithm's output can be trusted at inference time. While a number of tests for OOD detection have been proposed in prior work, a formal framework for studying this problem is lacking. We propose a definition for the notion of OOD that includes both the input distribution and the learning algorithm, which provides insights for the construction of powerful tests for OOD detection. We propose a multiple hypothesis testing inspired procedure to systematically combine any number of different statistics from the learning algorithm using conformal p-values. We further provide strong guarantees on the probability of incorrectly classifying an in-distribution sample as OOD. In our experiments, we find that threshold-based tests proposed in prior work perform well in specific settings, but not uniformly well across different types of OOD instances. In contrast, our proposed method that combines multiple statistics performs uniformly well across different datasets and neural networks.

Ensembles over neural network weights trained from different random initialization, known as deep ensembles, achieve state-of-the-art accuracy and calibration. The recently introduced batch ensembles provide a drop-in replacement that is more parameter efficient. In this paper, we design ensembles not only over weights, but over hyperparameters to improve the state of the art in both settings. For best performance independent of budget, we propose hyper-deep ensembles, a simple procedure that involves a random search over different hyperparameters, themselves stratified across multiple random initializations. Its strong performance highlights the benefit of combining models with both weight and hyperparameter diversity. We further propose a parameter efficient version, hyper-batch ensembles, which builds on the layer structure of batch ensembles and self-tuning networks. The computational and memory costs of our method are notably lower than typical ensembles. On image classification tasks, with MLP, LeNet, and Wide ResNet 28-10 architectures, our methodology improves upon both deep and batch ensembles.