Multiscale dynamical systems, modeled by high-dimensional stiff ordinary differential equations (ODEs) with wide-ranging characteristic timescales, arise across diverse fields of science and engineering, but their numerical solvers often encounter severe efficiency bottlenecks. This paper introduces a novel DeePODE method, which consists of a global multiscale sampling method and a fitting by deep neural networks to handle multiscale systems. DeePODE's primary contribution is to address the multiscale challenge of efficiently uncovering representative training sets by combining the Monte Carlo method and the ODE system's intrinsic evolution without suffering from the ``curse of dimensionality''. The DeePODE method is validated in multiscale systems from diverse areas, including a predator-prey model, a power system oscillation, a battery electrolyte auto-ignition, and turbulent flames. Our methods exhibit strong generalization capabilities to unseen conditions, highlighting the power of deep learning in modeling intricate multiscale dynamical processes across science and engineering domains.
This paper studies the complexity of classical modal logics and of their extension with fixed-point operators, using translations to transfer results across logics. In particular, we show several complexity results for multi-agent logics via translations to and from the $\mu$-calculus and modal logic, which allow us to transfer known upper and lower bounds. We also use these translations to introduce a terminating tableau system for the logics we study, based on Kozen's tableau for the $\mu$-calculus, and the one of Fitting and Massacci for modal logic. Finally, we show how to encode the tableaux we introduced into $\mu$-calculus formulas. This encoding provides upper bounds for the satisfiability checking of the few logics we previously did not have algorithms for.
Deep neural networks used for reconstructing sparse-view CT data are typically trained by minimizing a pixel-wise mean-squared error or similar loss function over a set of training images. However, networks trained with such pixel-wise losses are prone to wipe out small, low-contrast features that are critical for screening and diagnosis. To remedy this issue, we introduce a novel training loss inspired by the model observer framework to enhance the detectability of weak signals in the reconstructions. We evaluate our approach on the reconstruction of synthetic sparse-view breast CT data, and demonstrate an improvement in signal detectability with the proposed loss.
In recent years, Scientific Machine Learning (SciML) methods for solving partial differential equations (PDEs) have gained increasing popularity. Within such a paradigm, Physics-Informed Neural Networks (PINNs) are novel deep learning frameworks for solving initial-boundary value problems involving nonlinear PDEs. Recently, PINNs have shown promising results in several application fields. Motivated by applications to gas filtration problems, here we present and evaluate a PINN-based approach to predict solutions to strongly degenerate parabolic problems with asymptotic structure of Laplacian type. To the best of our knowledge, this is one of the first papers demonstrating the efficacy of the PINN framework for solving such kind of problems. In particular, we estimate an appropriate approximation error for some test problems whose analytical solutions are fortunately known. The numerical experiments discussed include two and three-dimensional spatial domains, emphasizing the effectiveness of this approach in predicting accurate solutions.
Under a generalised estimating equation analysis approach, approximate design theory is used to determine Bayesian D-optimal designs. For two examples, considering simple exchangeable and exponential decay correlation structures, we compare the efficiency of identified optimal designs to balanced stepped-wedge designs and corresponding stepped-wedge designs determined by optimising using a normal approximation approach. The dependence of the Bayesian D-optimal designs on the assumed correlation structure is explored; for the considered settings, smaller decay in the correlation between outcomes across time periods, along with larger values of the intra-cluster correlation, leads to designs closer to a balanced design being optimal. Unlike for normal data, it is shown that the optimal design need not be centro-symmetric in the binary outcome case. The efficiency of the Bayesian D-optimal design relative to a balanced design can be large, but situations are demonstrated in which the advantages are small. Similarly, the optimal design from a normal approximation approach is often not much less efficient than the Bayesian D-optimal design. Bayesian D-optimal designs can be readily identified for stepped-wedge cluster randomised trials with binary outcome data. In certain circumstances, principally ones with strong time period effects, they will indicate that a design unlikely to have been identified by previous methods may be substantially more efficient. However, they require a larger number of assumptions than existing optimal designs, and in many situations existing theory under a normal approximation will provide an easier means of identifying an efficient design for binary outcome data.
The broad class of multivariate unified skew-normal (SUN) distributions has been recently shown to possess fundamental conjugacy properties. When used as priors for the vector of parameters in general probit, tobit, and multinomial probit models, these distributions yield posteriors that still belong to the SUN family. Although such a core result has led to important advancements in Bayesian inference and computation, its applicability beyond likelihoods associated with fully-observed, discretized, or censored realizations from multivariate Gaussian models remains yet unexplored. This article covers such an important gap by proving that the wider family of multivariate unified skew-elliptical (SUE) distributions, which extends SUNs to more general perturbations of elliptical densities, guarantees conjugacy for broader classes of models, beyond those relying on fully-observed, discretized or censored Gaussians. Such a result leverages the closure under linear combinations, conditioning and marginalization of SUE to prove that such a family is conjugate to the likelihood induced by general multivariate regression models for fully-observed, censored or dichotomized realizations from skew-elliptical distributions. This advancement substantially enlarges the set of models that enable conjugate Bayesian inference to general formulations arising from elliptical and skew-elliptical families, including the multivariate Student's t and skew-t, among others.
This work focuses on the numerical approximations of neutral stochastic delay differential equations with their drift and diffusion coefficients growing super-linearly with respect to both delay variables and state variables. Under generalized monotonicity conditions, we prove that the backward Euler method not only converges strongly in the mean square sense with order $1/2$, but also inherit the mean square exponential stability of the original equations. As a byproduct, we obtain the same results on convergence rate and exponential stability of the backward Euler method for stochastic delay differential equations with generalized monotonicity conditions. These theoretical results are finally supported by several numerical experiments.
We consider a model selection problem for structural equation modeling (SEM) with latent variables for diffusion processes based on high-frequency data. First, we propose the quasi-Akaike information criterion of the SEM and study the asymptotic properties. Next, we consider the situation where the set of competing models includes some misspecified parametric models. It is shown that the probability of choosing the misspecified models converges to zero. Furthermore, examples and simulation results are given.
Mesh-based Graph Neural Networks (GNNs) have recently shown capabilities to simulate complex multiphysics problems with accelerated performance times. However, mesh-based GNNs require a large number of message-passing (MP) steps and suffer from over-smoothing for problems involving very fine mesh. In this work, we develop a multiscale mesh-based GNN framework mimicking a conventional iterative multigrid solver, coupled with adaptive mesh refinement (AMR), to mitigate challenges with conventional mesh-based GNNs. We use the framework to accelerate phase field (PF) fracture problems involving coupled partial differential equations with a near-singular operator due to near-zero modulus inside the crack. We define the initial graph representation using all mesh resolution levels. We perform a series of downsampling steps using Transformer MP GNNs to reach the coarsest graph followed by upsampling steps to reach the original graph. We use skip connectors from the generated embedding during coarsening to prevent over-smoothing. We use Transfer Learning (TL) to significantly reduce the size of training datasets needed to simulate different crack configurations and loading conditions. The trained framework showed accelerated simulation times, while maintaining high accuracy for all cases compared to physics-based PF fracture model. Finally, this work provides a new approach to accelerate a variety of mesh-based engineering multiphysics problems
Graph-centric artificial intelligence (graph AI) has achieved remarkable success in modeling interacting systems prevalent in nature, from dynamical systems in biology to particle physics. The increasing heterogeneity of data calls for graph neural architectures that can combine multiple inductive biases. However, combining data from various sources is challenging because appropriate inductive bias may vary by data modality. Multimodal learning methods fuse multiple data modalities while leveraging cross-modal dependencies to address this challenge. Here, we survey 140 studies in graph-centric AI and realize that diverse data types are increasingly brought together using graphs and fed into sophisticated multimodal models. These models stratify into image-, language-, and knowledge-grounded multimodal learning. We put forward an algorithmic blueprint for multimodal graph learning based on this categorization. The blueprint serves as a way to group state-of-the-art architectures that treat multimodal data by choosing appropriately four different components. This effort can pave the way for standardizing the design of sophisticated multimodal architectures for highly complex real-world problems.
Deep learning is usually described as an experiment-driven field under continuous criticizes of lacking theoretical foundations. This problem has been partially fixed by a large volume of literature which has so far not been well organized. This paper reviews and organizes the recent advances in deep learning theory. The literature is categorized in six groups: (1) complexity and capacity-based approaches for analyzing the generalizability of deep learning; (2) stochastic differential equations and their dynamic systems for modelling stochastic gradient descent and its variants, which characterize the optimization and generalization of deep learning, partially inspired by Bayesian inference; (3) the geometrical structures of the loss landscape that drives the trajectories of the dynamic systems; (4) the roles of over-parameterization of deep neural networks from both positive and negative perspectives; (5) theoretical foundations of several special structures in network architectures; and (6) the increasingly intensive concerns in ethics and security and their relationships with generalizability.