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In this paper, we propose new geometrically unfitted space-time Finite Element methods for partial differential equations posed on moving domains of higher order accuracy in space and time. As a model problem, the convection-diffusion problem on a moving domain is studied. For geometrically higher order accuracy, we apply a parametric mapping on a background space-time tensor-product mesh. Concerning discretisation in time, we consider discontinuous Galerkin, as well as related continuous (Petrov-)Galerkin and Galerkin collocation methods. For stabilisation with respect to bad cut configurations and as an extension mechanism that is required for the latter two schemes, a ghost penalty stabilisation is employed. The article puts an emphasis on the techniques that allow to achieve a robust but higher order geometry handling for smooth domains. We investigate the computational properties of the respective methods in a series of numerical experiments. These include studies in different dimensions for different polynomial degrees in space and time, validating the higher order accuracy in both variables.

In this paper, we study the sharpness of a deep learning (DL) loss landscape around local minima in order to reveal systematic mechanisms underlying the generalization abilities of DL models. Our analysis is performed across varying network and optimizer hyper-parameters, and involves a rich family of different sharpness measures. We compare these measures and show that the low-pass filter-based measure exhibits the highest correlation with the generalization abilities of DL models, has high robustness to both data and label noise, and furthermore can track the double descent behavior for neural networks. We next derive the optimization algorithm, relying on the low-pass filter (LPF), that actively searches the flat regions in the DL optimization landscape using SGD-like procedure. The update of the proposed algorithm, that we call LPF-SGD, is determined by the gradient of the convolution of the filter kernel with the loss function and can be efficiently computed using MC sampling. We empirically show that our algorithm achieves superior generalization performance compared to the common DL training strategies. On the theoretical front, we prove that LPF-SGD converges to a better optimal point with smaller generalization error than SGD.

Optimal-order uniform-in-time $H^1$-norm error estimates are given for semi- and full discretizations of mean curvature flow of surfaces in arbitrarily high codimension. The proposed and studied numerical method is based on a parabolic system coupling the surface flow to evolution equations for the mean curvature vector and for the orthogonal projection onto the tangent space. The algorithm uses evolving surface finite elements and linearly implicit backward difference formulae. This numerical method admits a convergence analysis in the case of finite elements of polynomial degree at least two and backward difference formulae of orders two to five. Numerical experiments in codimension 2 illustrate and complement our theoretical results.

Black-box and preference-based optimization algorithms are global optimization procedures that aim to find the global solutions of an optimization problem using, respectively, the least amount of function evaluations or sample comparisons as possible. In the black-box case, the analytical expression of the objective function is unknown and it can only be evaluated through a (costly) computer simulation or an experiment. In the preference-based case, the objective function is still unknown but it corresponds to the subjective criterion of an individual. So, it is not possible to quantify such criterion in a reliable and consistent way. Therefore, preference-based optimization algorithms seek global solutions using only comparisons between couples of different samples, for which a human decision-maker indicates which of the two is preferred. Quite often, the black-box and preference-based frameworks are covered separately and are handled using different techniques. In this paper, we show that black-box and preference-based optimization problems are closely related and can be solved using the same family of approaches, namely surrogate-based methods. Moreover, we propose the generalized Metric Response Surface (gMRS) algorithm, an optimization scheme that is a generalization of the popular MSRS framework. Finally, we provide a convergence proof for the proposed optimization method.

Singular source terms in sub-diffusion equations may lead to the unboundedness of solutions, which will bring a severe reduction of convergence order of existing time-stepping schemes. In this work, we propose two efficient time-stepping schemes for solving sub-diffusion equations with a class of source terms mildly singular in time. One discretization is based on the Gr{\"u}nwald-Letnikov and backward Euler methods. First-order error estimate with respect to time is rigorously established for singular source terms and nonsmooth initial data. The other scheme derived from the second-order backward differentiation formula (BDF) is proved to possess second-order accuracy in time. Further, piecewise linear finite element and lumped mass finite element discretizations in space are applied and analyzed rigorously. Numerical investigations confirm our theoretical results.

Diffeomorphic deformable image registration is one of the crucial tasks in medical image analysis, which aims to find a unique transformation while preserving the topology and invertibility of the transformation. Deep convolutional neural networks (CNNs) have yielded well-suited approaches for image registration by learning the transformation priors from a large dataset. The improvement in the performance of these methods is related to their ability to learn information from several sample medical images that are difficult to obtain and bias the framework to the specific domain of data. In this paper, we propose a novel diffeomorphic training-free approach; this is built upon the principle of an ordinary differential equation. Our formulation yields an Euler integration type recursive scheme to estimate the changes of spatial transformations between the fixed and the moving image pyramids at different resolutions. The proposed architecture is simple in design. The moving image is warped successively at each resolution and finally aligned to the fixed image; this procedure is recursive in a way that at each resolution, a fully convolutional network (FCN) models a progressive change of deformation for the current warped image. The entire system is end-to-end and optimized for each pair of images from scratch. In comparison to learning-based methods, the proposed method neither requires a dedicated training set nor suffers from any training bias. We evaluate our method on three cardiac image datasets. The evaluation results demonstrate that the proposed method achieves state-of-the-art registration accuracy while maintaining desirable diffeomorphic properties.

Residual networks (ResNets) have displayed impressive results in pattern recognition and, recently, have garnered considerable theoretical interest due to a perceived link with neural ordinary differential equations (neural ODEs). This link relies on the convergence of network weights to a smooth function as the number of layers increases. We investigate the properties of weights trained by stochastic gradient descent and their scaling with network depth through detailed numerical experiments. We observe the existence of scaling regimes markedly different from those assumed in neural ODE literature. Depending on certain features of the network architecture, such as the smoothness of the activation function, one may obtain an alternative ODE limit, a stochastic differential equation or neither of these. These findings cast doubts on the validity of the neural ODE model as an adequate asymptotic description of deep ResNets and point to an alternative class of differential equations as a better description of the deep network limit.

In many real-world applications, we want to exploit multiple source datasets of similar tasks to learn a model for a different but related target dataset -- e.g., recognizing characters of a new font using a set of different fonts. While most recent research has considered ad-hoc combination rules to address this problem, we extend previous work on domain discrepancy minimization to develop a finite-sample generalization bound, and accordingly propose a theoretically justified optimization procedure. The algorithm we develop, Domain AggRegation Network (DARN), is able to effectively adjust the weight of each source domain during training to ensure relevant domains are given more importance for adaptation. We evaluate the proposed method on real-world sentiment analysis and digit recognition datasets and show that DARN can significantly outperform the state-of-the-art alternatives.

Social network analysis provides meaningful information about behavior of network members that can be used for diverse applications such as classification, link prediction. However, network analysis is computationally expensive because of feature learning for different applications. In recent years, many researches have focused on feature learning methods in social networks. Network embedding represents the network in a lower dimensional representation space with the same properties which presents a compressed representation of the network. In this paper, we introduce a novel algorithm named "CARE" for network embedding that can be used for different types of networks including weighted, directed and complex. Current methods try to preserve local neighborhood information of nodes, whereas the proposed method utilizes local neighborhood and community information of network nodes to cover both local and global structure of social networks. CARE builds customized paths, which are consisted of local and global structure of network nodes, as a basis for network embedding and uses the Skip-gram model to learn representation vector of nodes. Subsequently, stochastic gradient descent is applied to optimize our objective function and learn the final representation of nodes. Our method can be scalable when new nodes are appended to network without information loss. Parallelize generation of customized random walks is also used for speeding up CARE. We evaluate the performance of CARE on multi label classification and link prediction tasks. Experimental results on various networks indicate that the proposed method outperforms others in both Micro and Macro-f1 measures for different size of training data.

Since the invention of word2vec, the skip-gram model has significantly advanced the research of network embedding, such as the recent emergence of the DeepWalk, LINE, PTE, and node2vec approaches. In this work, we show that all of the aforementioned models with negative sampling can be unified into the matrix factorization framework with closed forms. Our analysis and proofs reveal that: (1) DeepWalk empirically produces a low-rank transformation of a network's normalized Laplacian matrix; (2) LINE, in theory, is a special case of DeepWalk when the size of vertices' context is set to one; (3) As an extension of LINE, PTE can be viewed as the joint factorization of multiple networks' Laplacians; (4) node2vec is factorizing a matrix related to the stationary distribution and transition probability tensor of a 2nd-order random walk. We further provide the theoretical connections between skip-gram based network embedding algorithms and the theory of graph Laplacian. Finally, we present the NetMF method as well as its approximation algorithm for computing network embedding. Our method offers significant improvements over DeepWalk and LINE for conventional network mining tasks. This work lays the theoretical foundation for skip-gram based network embedding methods, leading to a better understanding of latent network representation learning.