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Given input-output pairs of an elliptic partial differential equation (PDE) in three dimensions, we derive the first theoretically-rigorous scheme for learning the associated Green's function $G$. By exploiting the hierarchical low-rank structure of $G$, we show that one can construct an approximant to $G$ that converges almost surely and achieves a relative error of $\mathcal{O}(\Gamma_\epsilon^{-1/2}\log^3(1/\epsilon)\epsilon)$ using at most $\mathcal{O}(\epsilon^{-6}\log^4(1/\epsilon))$ input-output training pairs with high probability, for any $0<\epsilon<1$. The quantity $0<\Gamma_\epsilon\leq 1$ characterizes the quality of the training dataset. Along the way, we extend the randomized singular value decomposition algorithm for learning matrices to Hilbert--Schmidt operators and characterize the quality of covariance kernels for PDE learning.

Matrix approximations are a key element in large-scale algebraic machine learning approaches. The recently proposed method MEKA (Si et al., 2014) effectively employs two common assumptions in Hilbert spaces: the low-rank property of an inner product matrix obtained from a shift-invariant kernel function and a data compactness hypothesis by means of an inherent block-cluster structure. In this work, we extend MEKA to be applicable not only for shift-invariant kernels but also for non-stationary kernels like polynomial kernels and an extreme learning kernel. We also address in detail how to handle non-positive semi-definite kernel functions within MEKA, either caused by the approximation itself or by the intentional use of general kernel functions. We present a Lanczos-based estimation of a spectrum shift to develop a stable positive semi-definite MEKA approximation, also usable in classical convex optimization frameworks. Furthermore, we support our findings with theoretical considerations and a variety of experiments on synthetic and real-world data.

Stochastic Hamiltonian partial differential equations, which possess the multi-symplectic conservation law, are an important and fairly large class of systems. The multi-symplectic methods inheriting the geometric features of stochastic Hamiltonian partial differential equations provide numerical approximations with better numerical stability, and are of vital significance for obtaining correct numerical results. In this paper, we propose three novel multi-symplectic methods for stochastic Hamiltonian partial differential equations based on the local radial basis function collocation method, the splitting technique, and the partitioned Runge-Kutta method. Concrete numerical methods are presented for nonlinear stochastic wave equations, stochastic nonlinear Schr\"odinger equations, stochastic Korteweg-de Vries equations and stochastic Maxwell equations. We take stochastic wave equations as examples to perform numerical experiments, which indicate the validity of the proposed methods.

In this paper, we present three versions of proofs of the coercivity for first-order system least-squares methods for second-order elliptic PDEs. The first version is based on the a priori error estimate of the PDEs, which has the weakest assumption. For the second and third proofs, a sufficient condition on the coefficients ensuring the coercivity of the standard variational formulation is assumed. The second proof is a simple direct proof and the third proof is based on a lemma introduced in the discontinuous Petrov-Galerkin method. By pointing out the advantages and limitations of different proofs, we hope that the paper will provide a guide for future proofs. As an application, we also discuss least-squares finite element methods for problems with $H^{-1}$ righthand side.

Proteins can exhibit dynamic structural flexibility as they carry out their functions, especially in binding regions that interact with other molecules. For the key SARS-CoV-2 spike protein that facilitates COVID-19 infection, studies have previously identified several such highly flexible regions with therapeutic importance. However, protein structures available from the Protein Data Bank are presented as static snapshots that may not adequately depict this flexibility, and furthermore these cannot keep pace with new mutations and variants. In this paper we present a sequential Monte Carlo method for broadly sampling the 3-D conformational space of protein structure, according to the Boltzmann distribution of a given energy function. Our approach is distinct from previous sampling methods that focus on finding the lowest-energy conformation for predicting a single stable structure. We exemplify our method on the SARS-CoV-2 omicron variant as an application of timely interest. Our results identify sequence positions 495-508 as a key region where omicron mutations have the most impact on the space of possible conformations, which coincides with the findings of other preliminary studies on the binding properties of the omicron variant.

We present a fast direct solver for boundary integral equations on complex surfaces in three dimensions, using an extension of the recently introduced strong recursive skeletonization scheme. For problems that are not highly oscillatory, our algorithm computes an ${LU}$-like hierarchical factorization of the dense system matrix, permitting application of the inverse in $O(N)$ time, where $N$ is the number of unknowns on the surface. The factorization itself also scales linearly with the system size, albeit with a somewhat larger constant. The scheme is built on a level-restricted, adaptive octree data structure and therefore it is compatible with highly nonuniform discretizations. Furthermore, the scheme is coupled with high-order accurate locally-corrected Nystr\"om quadrature methods to integrate the singular and weakly-singular Green's functions used in the integral representations. Our method has immediate application to a variety of problems in computational physics. We concentrate here on studying its performance in acoustic scattering (governed by the Helmholtz equation) at low to moderate frequencies.

We present a learning-based approach for removing unwanted obstructions, such as window reflections, fence occlusions or raindrops, from a short sequence of images captured by a moving camera. Our method leverages the motion differences between the background and the obstructing elements to recover both layers. Specifically, we alternate between estimating dense optical flow fields of the two layers and reconstructing each layer from the flow-warped images via a deep convolutional neural network. The learning-based layer reconstruction allows us to accommodate potential errors in the flow estimation and brittle assumptions such as brightness consistency. We show that training on synthetically generated data transfers well to real images. Our results on numerous challenging scenarios of reflection and fence removal demonstrate the effectiveness of the proposed method.

With the advent of deep neural networks, learning-based approaches for 3D reconstruction have gained popularity. However, unlike for images, in 3D there is no canonical representation which is both computationally and memory efficient yet allows for representing high-resolution geometry of arbitrary topology. Many of the state-of-the-art learning-based 3D reconstruction approaches can hence only represent very coarse 3D geometry or are limited to a restricted domain. In this paper, we propose occupancy networks, a new representation for learning-based 3D reconstruction methods. Occupancy networks implicitly represent the 3D surface as the continuous decision boundary of a deep neural network classifier. In contrast to existing approaches, our representation encodes a description of the 3D output at infinite resolution without excessive memory footprint. We validate that our representation can efficiently encode 3D structure and can be inferred from various kinds of input. Our experiments demonstrate competitive results, both qualitatively and quantitatively, for the challenging tasks of 3D reconstruction from single images, noisy point clouds and coarse discrete voxel grids. We believe that occupancy networks will become a useful tool in a wide variety of learning-based 3D tasks.

Various 3D reconstruction methods have enabled civil engineers to detect damage on a road surface. To achieve the millimetre accuracy required for road condition assessment, a disparity map with subpixel resolution needs to be used. However, none of the existing stereo matching algorithms are specially suitable for the reconstruction of the road surface. Hence in this paper, we propose a novel dense subpixel disparity estimation algorithm with high computational efficiency and robustness. This is achieved by first transforming the perspective view of the target frame into the reference view, which not only increases the accuracy of the block matching for the road surface but also improves the processing speed. The disparities are then estimated iteratively using our previously published algorithm where the search range is propagated from three estimated neighbouring disparities. Since the search range is obtained from the previous iteration, errors may occur when the propagated search range is not sufficient. Therefore, a correlation maxima verification is performed to rectify this issue, and the subpixel resolution is achieved by conducting a parabola interpolation enhancement. Furthermore, a novel disparity global refinement approach developed from the Markov Random Fields and Fast Bilateral Stereo is introduced to further improve the accuracy of the estimated disparity map, where disparities are updated iteratively by minimising the energy function that is related to their interpolated correlation polynomials. The algorithm is implemented in C language with a near real-time performance. The experimental results illustrate that the absolute error of the reconstruction varies from 0.1 mm to 3 mm.

We provide initial seedings to the Quick Shift clustering algorithm, which approximate the locally high-density regions of the data. Such seedings act as more stable and expressive cluster-cores than the singleton modes found by Quick Shift. We establish statistical consistency guarantees for this modification. We then show strong clustering performance on real datasets as well as promising applications to image segmentation.