Learning distance functions between complex objects, such as the Wasserstein distance to compare point sets, is a common goal in machine learning applications. However, functions on such complex objects (e.g., point sets and graphs) are often required to be invariant to a wide variety of group actions e.g. permutation or rigid transformation. Therefore, continuous and symmetric product functions (such as distance functions) on such complex objects must also be invariant to the product of such group actions. We call these functions symmetric and factor-wise group invariant (or SFGI functions in short). In this paper, we first present a general neural network architecture for approximating SFGI functions. The main contribution of this paper combines this general neural network with a sketching idea to develop a specific and efficient neural network which can approximate the $p$-th Wasserstein distance between point sets. Very importantly, the required model complexity is independent of the sizes of input point sets. On the theoretical front, to the best of our knowledge, this is the first result showing that there exists a neural network with the capacity to approximate Wasserstein distance with bounded model complexity. Our work provides an interesting integration of sketching ideas for geometric problems with universal approximation of symmetric functions. On the empirical front, we present a range of results showing that our newly proposed neural network architecture performs comparatively or better than other models (including a SOTA Siamese Autoencoder based approach). In particular, our neural network generalizes significantly better and trains much faster than the SOTA Siamese AE. Finally, this line of investigation could be useful in exploring effective neural network design for solving a broad range of geometric optimization problems (e.g., $k$-means in a metric space).
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Over the last two decades, the field of geometric curve evolutions has attracted significant attention from scientific computing. One of the most popular numerical methods for solving geometric flows is the so-called BGN scheme, which was proposed by Barrett, Garcke, and Nurnberg (J. Comput. Phys., 222 (2007), pp. 441{467), due to its favorable properties (e.g., its computational efficiency and the good mesh property). However, the BGN scheme is limited to first-order accuracy in time, and how to develop a higher-order numerical scheme is challenging. In this paper, we propose a fully discrete, temporal second-order parametric finite element method, which incorporates a mesh regularization technique when necessary, for solving geometric flows of curves. The scheme is constructed based on the BGN formulation and a semi-implicit Crank-Nicolson leap-frog time stepping discretization as well as a linear finite element approximation in space. More importantly, we point out that the shape metrics, such as manifold distance and Hausdorff distance, instead of function norms, should be employed to measure numerical errors. Extensive numerical experiments demonstrate that the proposed BGN-based scheme is second-order accurate in time in terms of shape metrics. Moreover, by employing the classical BGN scheme as a mesh regularization technique when necessary, our proposed second-order scheme exhibits good properties with respect to the mesh distribution.
Dye experimentation is a widely used method in experimental fluid mechanics for flow analysis or for the study of the transport of particles within a fluid. This technique is particularly useful in biomedical diagnostic applications ranging from hemodynamic analysis of cardiovascular systems to ocular circulation. However, simulating dyes governed by convection-diffusion partial differential equations (PDEs) can also be a useful post-processing analysis approach for computational fluid dynamics (CFD) applications. Such simulations can be used to identify the relative significance of different spatial subregions in particular time intervals of interest in an unsteady flow field. Additionally, dye evolution is closely related to non-discrete particle residence time (PRT) calculations that are governed by similar PDEs. This contribution introduces a pseudo-spectral method based on Fourier continuation (FC) for conducting dye simulations and non-discrete particle residence time calculations without numerical diffusion errors. Convergence and error analyses are performed with both manufactured and analytical solutions. The methodology is applied to three distinct physical/physiological cases: 1) flow over a two-dimensional (2D) cavity; 2) pulsatile flow in a simplified partially-grafted aortic dissection model; and 3) non-Newtonian blood flow in a Fontan graft. Although velocity data is provided in this work by numerical simulation, the proposed approach can also be applied to velocity data collected through experimental techniques such as from particle image velocimetry.
We consider a one-dimensional singularly perturbed 4th order problem with the additional feature of a shift term. An expansion into a smooth term, boundary layers and an inner layer yields a formal solution decomposition, and together with a stability result we have estimates for the subsequent numerical analysis. With classical layer adapted meshes we present a numerical method, that achieves supercloseness and optimal convergence orders in the associated energy norm. We also consider coarser meshes in view of the weak layers. Some numerical examples conclude the paper and support the theory.
We consider a sharp interface formulation for the multi-phase Mullins-Sekerka flow. The flow is characterized by a network of curves evolving such that the total surface energy of the curves is reduced, while the areas of the enclosed phases are conserved. Making use of a variational formulation, we introduce a fully discrete finite element method. Our discretization features a parametric approximation of the moving interfaces that is independent of the discretization used for the equations in the bulk. The scheme can be shown to be unconditionally stable and to satisfy an exact volume conservation property. Moreover, an inherent tangential velocity for the vertices on the discrete curves leads to asymptotically equidistributed vertices, meaning no remeshing is necessary in practice. Several numerical examples, including a convergence experiment for the three-phase Mullins-Sekerka flow, demonstrate the capabilities of the introduced method.
We introduce so-called functional input neural networks defined on a possibly infinite dimensional weighted space with values also in a possibly infinite dimensional output space. To this end, we use an additive family as hidden layer maps and a non-linear activation function applied to each hidden layer. Relying on Stone-Weierstrass theorems on weighted spaces, we can prove a global universal approximation result for generalizations of continuous functions going beyond the usual approximation on compact sets. This then applies in particular to approximation of (non-anticipative) path space functionals via functional input neural networks. As a further application of the weighted Stone-Weierstrass theorem we prove a global universal approximation result for linear functions of the signature. We also introduce the viewpoint of Gaussian process regression in this setting and show that the reproducing kernel Hilbert space of the signature kernels are Cameron-Martin spaces of certain Gaussian processes. This paves the way towards uncertainty quantification for signature kernel regression.
We present a novel stabilized isogeometric formulation for the Stokes problem, where the geometry of interest is obtained via overlapping NURBS (non-uniform rational B-spline) patches, i.e., one patch on top of another in an arbitrary but predefined hierarchical order. All the visible regions constitute the computational domain, whereas independent patches are coupled through visible interfaces using Nitsche's formulation. Such a geometric representation inevitably involves trimming, which may yield trimmed elements of extremely small measures (referred to as bad elements) and thus lead to the instability issue. Motivated by the minimal stabilization method that rigorously guarantees stability for trimmed geometries [1], in this work we generalize it to the Stokes problem on overlapping patches. Central to our method is the distinct treatments for the pressure and velocity spaces: Stabilization for velocity is carried out for the flux terms on interfaces, whereas pressure is stabilized in all the bad elements. We provide a priori error estimates with a comprehensive theoretical study. Through a suite of numerical tests, we first show that optimal convergence rates are achieved, which consistently agrees with our theoretical findings. Second, we show that the accuracy of pressure is significantly improved by several orders using the proposed stabilization method, compared to the results without stabilization. Finally, we also demonstrate the flexibility and efficiency of the proposed method in capturing local features in the solution field.
An unconventional approach is applied to solve the one-dimensional Burgers' equation. It is based on spline polynomial interpolations and Hopf-Cole transformation. Taylor expansion is used to approximate the exponential term in the transformation, then the analytical solution of the simplified equation is discretized to form a numerical scheme, involving various special functions. The derived scheme is explicit and adaptable for parallel computing. However, some types of boundary condition cannot be specified straightforwardly. Three test cases were employed to examine its accuracy, stability, and parallel scalability. In the aspect of accuracy, the schemes employed cubic and quintic spline interpolation performs equally well, managing to reduce the $\ell_{1}$, $\ell_{2}$ and $\ell_{\infty}$ error norms down to the order of $10^{-4}$. Due to the transformation, their stability condition $\nu \Delta t/\Delta x^2 > 0.02$ includes the viscosity/diffusion coefficient $\nu$. From the condition, the schemes can run at a large time step size $\Delta t$ even when grid spacing $\Delta x$ is small. These characteristics suggest that the method is more suitable for operational use than for research purposes.
A sequential pattern with negation, or negative sequential pattern, takes the form of a sequential pattern for which the negation symbol may be used in front of some of the pattern's itemsets. Intuitively, such a pattern occurs in a sequence if negated itemsets are absent in the sequence. Recent work has shown that different semantics can be attributed to these pattern forms, and that state-of-the-art algorithms do not extract the same sets of patterns. This raises the important question of the interpretability of sequential pattern with negation. In this study, our focus is on exploring how potential users perceive negation in sequential patterns. Our aim is to determine whether specific semantics are more "intuitive" than others and whether these align with the semantics employed by one or more state-of-the-art algorithms. To achieve this, we designed a questionnaire to reveal the semantics' intuition of each user. This article presents both the design of the questionnaire and an in-depth analysis of the 124 responses obtained. The outcomes indicate that two of the semantics are predominantly intuitive; however, neither of them aligns with the semantics of the primary state-of-the-art algorithms. As a result, we provide recommendations to account for this disparity in the conclusions drawn.
Neuromorphic computing is one of the few current approaches that have the potential to significantly reduce power consumption in Machine Learning and Artificial Intelligence. Imam & Cleland presented an odour-learning algorithm that runs on a neuromorphic architecture and is inspired by circuits described in the mammalian olfactory bulb. They assess the algorithm's performance in "rapid online learning and identification" of gaseous odorants and odorless gases (short "gases") using a set of gas sensor recordings of different odour presentations and corrupting them by impulse noise. We replicated parts of the study and discovered limitations that affect some of the conclusions drawn. First, the dataset used suffers from sensor drift and a non-randomised measurement protocol, rendering it of limited use for odour identification benchmarks. Second, we found that the model is restricted in its ability to generalise over repeated presentations of the same gas. We demonstrate that the task the study refers to can be solved with a simple hash table approach, matching or exceeding the reported results in accuracy and runtime. Therefore, a validation of the model that goes beyond restoring a learned data sample remains to be shown, in particular its suitability to odour identification tasks.
We propose an approach to compute inner and outer-approximations of the sets of values satisfying constraints expressed as arbitrarily quantified formulas. Such formulas arise for instance when specifying important problems in control such as robustness, motion planning or controllers comparison. We propose an interval-based method which allows for tractable but tight approximations. We demonstrate its applicability through a series of examples and benchmarks using a prototype implementation.
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