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Deep neural networks have received widespread attention due to their simplicity and flexibility in the fields of engineering and scientific calculation. In this work, we probe into solving a class of elliptic Partial Differential Equations (PDEs) with multiple scales by means of Fourier-based mixed physics informed neural networks(dubbed FMPINN), the solver of FMPINN is configured as a multi-scale deep neural networks. Unlike the classical PINN method, a dual (flux) variable about the rough coefficient of PDEs is introduced to avoid the ill-condition of neural tangent kernel matrix that resulted from the oscillating coefficient of multi-scale PDEs. Therefore, apart from the physical conservation laws, the discrepancy between the auxiliary variables and the gradients of multi-scale coefficients is incorporated into the cost function, then obtaining a satisfactory solution of PDEs by minimizing the defined loss through some optimization methods. Additionally, a trigonometric activation function is introduced for FMPINN, which is suited for representing the derivatives of complex target functions. Handling the input data by Fourier feature mapping, it will effectively improve the capacity of deep neural networks to solve high-frequency problems. Finally, by introducing several numerical examples of multi-scale problems in various dimensional Euclidean spaces, we validate the efficiency and robustness of the proposed FMPINN algorithm in both low-frequency and high-frequency oscillation cases.

The Immersed Boundary (IB) method of Peskin (J. Comput. Phys., 1977) is useful for problems involving fluid-structure interactions or complex geometries. By making use of a regular Cartesian grid that is independent of the geometry, the IB framework yields a robust numerical scheme that can efficiently handle immersed deformable structures. Additionally, the IB method has been adapted to problems with prescribed motion and other PDEs with given boundary data. IB methods for these problems traditionally involve penalty forces which only approximately satisfy boundary conditions, or they are formulated as constraint problems. In the latter approach, one must find the unknown forces by solving an equation that corresponds to a poorly conditioned first-kind integral equation. This operation can require a large number of iterations of a Krylov method, and since a time-dependent problem requires this solve at each time step, this method can be prohibitively inefficient without preconditioning. In this work, we introduce a new, well-conditioned IB formulation for boundary value problems, which we call the Immersed Boundary Double Layer (IBDL) method. We present the method as it applies to Poisson and Helmholtz problems to demonstrate its efficiency over the original constraint method. In this double layer formulation, the equation for the unknown boundary distribution corresponds to a well-conditioned second-kind integral equation that can be solved efficiently with a small number of iterations of a Krylov method. Furthermore, the iteration count is independent of both the mesh size and immersed boundary point spacing. The method converges away from the boundary, and when combined with a local interpolation, it converges in the entire PDE domain. Additionally, while the original constraint method applies only to Dirichlet problems, the IBDL formulation can also be used for Neumann conditions.

Polynomial filters, a kind of Graph Neural Networks, typically use a predetermined polynomial basis and learn the coefficients from the training data. It has been observed that the effectiveness of the model is highly dependent on the property of the polynomial basis. Consequently, two natural and fundamental questions arise: Can we learn a suitable polynomial basis from the training data? Can we determine the optimal polynomial basis for a given graph and node features? In this paper, we propose two spectral GNN models that provide positive answers to the questions posed above. First, inspired by Favard's Theorem, we propose the FavardGNN model, which learns a polynomial basis from the space of all possible orthonormal bases. Second, we examine the supposedly unsolvable definition of optimal polynomial basis from Wang & Zhang (2022) and propose a simple model, OptBasisGNN, which computes the optimal basis for a given graph structure and graph signal. Extensive experiments are conducted to demonstrate the effectiveness of our proposed models. Our code is available at //github.com/yuziGuo/FarOptBasis.

We study sampling problems associated with potentials that lack smoothness. The potentials can be either convex or non-convex. Departing from the standard smooth setting, the potentials are only assumed to be weakly smooth or non-smooth, or the summation of multiple such functions. We develop a sampling algorithm that resembles proximal algorithms in optimization for this challenging sampling task. Our algorithm is based on a special case of Gibbs sampling known as the alternating sampling framework (ASF). The key contribution of this work is a practical realization of the ASF based on rejection sampling for both non-convex and convex potentials that are not necessarily smooth. In almost all the cases of sampling considered in this work, our proximal sampling algorithm achieves better complexity than all existing methods.

In order to solve tasks like uncertainty quantification or hypothesis tests in Bayesian imaging inverse problems, we often have to draw samples from the arising posterior distribution. For the usually log-concave but high-dimensional posteriors, Markov chain Monte Carlo methods based on time discretizations of Langevin diffusion are a popular tool. If the potential defining the distribution is non-smooth, these discretizations are usually of an implicit form leading to Langevin sampling algorithms that require the evaluation of proximal operators. For some of the potentials relevant in imaging problems this is only possible approximately using an iterative scheme. We investigate the behaviour of a proximal Langevin algorithm under the presence of errors in the evaluation of proximal mappings. We generalize existing non-asymptotic and asymptotic convergence results of the exact algorithm to our inexact setting and quantify the bias between the target and the algorithm's stationary distribution due to the errors. We show that the additional bias stays bounded for bounded errors and converges to zero for decaying errors in a strongly convex setting. We apply the inexact algorithm to sample numerically from the posterior of typical imaging inverse problems in which we can only approximate the proximal operator by an iterative scheme and validate our theoretical convergence results.

In this paper, practically computable low-order approximations of potentially high-dimensional differential equations driven by geometric rough paths are proposed and investigated. In particular, equations are studied that cover the linear setting, but we allow for a certain type of dissipative nonlinearity in the drift as well. In a first step, a linear subspace is found that contains the solution space of the underlying rough differential equation (RDE). This subspace is associated to covariances of linear Ito-stochastic differential equations which is shown exploiting a Gronwall lemma for matrix differential equations. Orthogonal projections onto the identified subspace lead to a first exact reduced order system. Secondly, a linear map of the RDE solution (quantity of interest) is analyzed in terms of redundant information meaning that state variables are found that do not contribute to the quantity of interest. Once more, a link to Ito-stochastic differential equations is used. Removing such unnecessary information from the RDE provides a further dimension reduction without causing an error. Finally, we discretize a linear parabolic rough partial differential equation in space. The resulting large-order RDE is subsequently tackled with the exact reduction techniques studied in this paper. We illustrate the enormous complexity reduction potential in the corresponding numerical experiments.

Object detection in 3D is a crucial aspect in the context of autonomous vehicles and drones. However, prototyping detection algorithms is time-consuming and costly in terms of energy and environmental impact. To address these challenges, one can check the effectiveness of different models by training on a subset of the original training set. In this paper, we present a comparison of three algorithms for selecting such a subset - random sampling, random per class sampling, and our proposed MONSPeC (Maximum Object Number Sampling per Class). We provide empirical evidence for the superior effectiveness of random per class sampling and MONSPeC over basic random sampling. By replacing random sampling with one of the more efficient algorithms, the results obtained on the subset are more likely to transfer to the results on the entire dataset. The code is available at: //github.com/vision-agh/monspec.

To comprehend complex systems with multiple states, it is imperative to reveal the identity of these states by system outputs. Nevertheless, the mathematical models describing these systems often exhibit nonlinearity so that render the resolution of the parameter inverse problem from the observed spatiotemporal data a challenging endeavor. Starting from the observed data obtained from such systems, we propose a novel framework that facilitates the investigation of parameter identification for multi-state systems governed by spatiotemporal varying parametric partial differential equations. Our framework consists of two integral components: a constrained self-adaptive physics-informed neural network, encompassing a sub-network, as our methodology for parameter identification, and a finite mixture model approach to detect regions of probable parameter variations. Through our scheme, we can precisely ascertain the unknown varying parameters of the complex multi-state system, thereby accomplishing the inversion of the varying parameters. Furthermore, we have showcased the efficacy of our framework on two numerical cases: the 1D Burgers' equation with time-varying parameters and the 2D wave equation with a space-varying parameter.

The conjoining of dynamical systems and deep learning has become a topic of great interest. In particular, neural differential equations (NDEs) demonstrate that neural networks and differential equation are two sides of the same coin. Traditional parameterised differential equations are a special case. Many popular neural network architectures, such as residual networks and recurrent networks, are discretisations. NDEs are suitable for tackling generative problems, dynamical systems, and time series (particularly in physics, finance, ...) and are thus of interest to both modern machine learning and traditional mathematical modelling. NDEs offer high-capacity function approximation, strong priors on model space, the ability to handle irregular data, memory efficiency, and a wealth of available theory on both sides. This doctoral thesis provides an in-depth survey of the field. Topics include: neural ordinary differential equations (e.g. for hybrid neural/mechanistic modelling of physical systems); neural controlled differential equations (e.g. for learning functions of irregular time series); and neural stochastic differential equations (e.g. to produce generative models capable of representing complex stochastic dynamics, or sampling from complex high-dimensional distributions). Further topics include: numerical methods for NDEs (e.g. reversible differential equations solvers, backpropagation through differential equations, Brownian reconstruction); symbolic regression for dynamical systems (e.g. via regularised evolution); and deep implicit models (e.g. deep equilibrium models, differentiable optimisation). We anticipate this thesis will be of interest to anyone interested in the marriage of deep learning with dynamical systems, and hope it will provide a useful reference for the current state of the art.

Graph convolutional networks (GCNs) have been successfully applied in node classification tasks of network mining. However, most of these models based on neighborhood aggregation are usually shallow and lack the "graph pooling" mechanism, which prevents the model from obtaining adequate global information. In order to increase the receptive field, we propose a novel deep Hierarchical Graph Convolutional Network (H-GCN) for semi-supervised node classification. H-GCN first repeatedly aggregates structurally similar nodes to hyper-nodes and then refines the coarsened graph to the original to restore the representation for each node. Instead of merely aggregating one- or two-hop neighborhood information, the proposed coarsening procedure enlarges the receptive field for each node, hence more global information can be learned. Comprehensive experiments conducted on public datasets demonstrate the effectiveness of the proposed method over the state-of-art methods. Notably, our model gains substantial improvements when only a few labeled samples are provided.