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In this article, we present the time-space Chebyshev pseudospectral method (TS-CPsM) to approximate a solution to the generalised Burgers-Fisher (gBF) equation. The Chebyshev-Gauss-Lobatto (CGL) points serve as the foundation for the recommended method, which makes use of collocations in both the time and space directions. Further, using a mapping, the non-homogeneous initial-boundary value problem is transformed into a homogeneous problem, and a system of algebraic equations is obtained. The numerical approach known as Newton-Raphson is implemented in order to get the desired results for the system. The proposed method's stability analysis has been performed. Different researchers' considerations on test problems have been explored to illustrate the robustness and practicality of the approach presented. The approximate solutions we found using the proposed method are highly accurate and significantly better than the existing results.

The non-Euclidean geometry of hyperbolic spaces has recently garnered considerable attention in the realm of representation learning. Current endeavors in hyperbolic representation largely presuppose that the underlying hierarchies can be automatically inferred and preserved through the adaptive optimization process. This assumption, however, is questionable and requires further validation. In this work, we first introduce a position-tracking mechanism to scrutinize existing prevalent \hlms, revealing that the learned representations are sub-optimal and unsatisfactory. To address this, we propose a simple yet effective method, hyperbolic informed embedding (HIE), by incorporating cost-free hierarchical information deduced from the hyperbolic distance of the node to origin (i.e., induced hyperbolic norm) to advance existing \hlms. The proposed method HIE is both task-agnostic and model-agnostic, enabling its seamless integration with a broad spectrum of models and tasks. Extensive experiments across various models and different tasks demonstrate the versatility and adaptability of the proposed method. Remarkably, our method achieves a remarkable improvement of up to 21.4\% compared to the competing baselines.

Recently, diffusion models have achieved remarkable performance in data generation, e.g., generating high-quality images. Nevertheless, chemistry molecules often have complex non-Euclidean spatial structures, with the behavior changing dynamically and unpredictably. Most existing diffusion models highly rely on computing the probability distribution, i.e., Gaussian distribution, in Euclidean space, which cannot capture internal non-Euclidean structures of molecules, especially the hierarchical structures of the implicit manifold surface represented by molecules. It has been observed that the complex hierarchical structures in hyperbolic embedding space become more prominent and easier to be captured. In order to leverage both the data generation power of diffusion models and the strong capability to extract complex geometric features of hyperbolic embedding, we propose to extend the diffusion model to hyperbolic manifolds for molecule generation, namely, Hyperbolic Graph Diffusion Model (HGDM). The proposed HGDM employs a hyperbolic variational autoencoder to generate the hyperbolic hidden representation of nodes and then a score-based hyperbolic graph neural network is used to learn the distribution in hyperbolic space. Numerical experimental results show that the proposed HGDM achieves higher performance on several molecular datasets, compared with state-of-the-art methods.

Learning representations according to the underlying geometry is of vital importance for non-Euclidean data. Studies have revealed that the hyperbolic space can effectively embed hierarchical or tree-like data. In particular, the few past years have witnessed a rapid development of hyperbolic neural networks. However, it is challenging to learn good hyperbolic representations since common Euclidean neural operations, such as convolution, do not extend to the hyperbolic space. Most hyperbolic neural networks do not embrace the convolution operation and ignore local patterns. Others either only use non-hyperbolic convolution, or miss essential properties such as equivariance to permutation. We propose HKConv, a novel trainable hyperbolic convolution which first correlates trainable local hyperbolic features with fixed kernel points placed in the hyperbolic space, then aggregates the output features within a local neighborhood. HKConv not only expressively learns local features according to the hyperbolic geometry, but also enjoys equivariance to permutation of hyperbolic points and invariance to parallel transport of a local neighborhood. We show that neural networks with HKConv layers advance state-of-the-art in various tasks.

This paper proposes a novel conditional heteroscedastic time series model by applying the framework of quantile regression processes to the ARCH(\infty) form of the GARCH model. This model can provide varying structures for conditional quantiles of the time series across different quantile levels, while including the commonly used GARCH model as a special case. The strict stationarity of the model is discussed. For robustness against heavy-tailed distributions, a self-weighted quantile regression (QR) estimator is proposed. While QR performs satisfactorily at intermediate quantile levels, its accuracy deteriorates at high quantile levels due to data scarcity. As a remedy, a self-weighted composite quantile regression (CQR) estimator is further introduced and, based on an approximate GARCH model with a flexible Tukey-lambda distribution for the innovations, we can extrapolate the high quantile levels by borrowing information from intermediate ones. Asymptotic properties for the proposed estimators are established. Simulation experiments are carried out to access the finite sample performance of the proposed methods, and an empirical example is presented to illustrate the usefulness of the new model.

Distribution-to-Distribution (D2D) point cloud registration algorithms are fast, interpretable, and perform well in unstructured environments. Unfortunately, existing strategies for predicting solution error for these methods are overly optimistic, particularly in regions containing large or extended physical objects. In this paper we introduce the Iterative Closest Ellipsoidal Transform (ICET), a novel 3D LIDAR scan-matching algorithm that re-envisions NDT in order to provide robust accuracy prediction from first principles. Like NDT, ICET subdivides a LIDAR scan into voxels in order to analyze complex scenes by considering many smaller local point distributions, however, ICET assesses the voxel distribution to distinguish random noise from deterministic structure. ICET then uses a weighted least-squares formulation to incorporate this noise/structure distinction into computing a localization solution and predicting the solution-error covariance. In order to demonstrate the reasonableness of our accuracy predictions, we verify 3D ICET in three LIDAR tests involving real-world automotive data, high-fidelity simulated trajectories, and simulated corner-case scenes. For each test, ICET consistently performs scan matching with sub-centimeter accuracy. This level of accuracy, combined with the fact that the algorithm is fully interpretable, make it well suited for safety-critical transportation applications. Code is available at //github.com/mcdermatt/ICET

We study the Electrical Impedance Tomography Bayesian inverse problem for recovering the conductivity given noisy measurements of the voltage on some boundary surface electrodes. The uncertain conductivity depends linearly on a countable number of uniformly distributed random parameters in a compact interval, with the coefficient functions in the linear expansion decaying at an algebraic rate. We analyze the surrogate Markov Chain Monte Carlo (MCMC) approach for sampling the posterior probability measure, where the multivariate sparse adaptive interpolation, with interpolating points chosen according to a lower index set, is used for approximating the forward map. The forward equation is approximated once before running the MCMC for all the realizations, using interpolation on the finite element (FE) approximation at the parametric interpolating points. When evaluation of the solution is needed for a realization, we only need to compute a polynomial, thus cutting drastically the computation time. We contribute a rigorous error estimate for the MCMC convergence. In particular, we show that there is a nested sequence of interpolating lower index sets for which we can derive an interpolation error estimate in terms of the cardinality of these sets, uniformly for all the parameter realizations. An explicit convergence rate for the MCMC sampling of the posterior expectation of the conductivity is rigorously derived, in terms of the interpolating point number, the accuracy of the FE approximation of the forward equation, and the MCMC sample number. We perform numerical experiments using an adaptive greedy approach to construct the sets of interpolation points. We show the benefits of this approach over the simple MCMC where the forward equation is repeatedly solved for all the samples and the non-adaptive surrogate MCMC with an isotropic index set treating all the random parameters equally.

Given a set $P$ of $n$ points in $\mathbb{R}^2$ and an input line $\gamma$ in $\mathbb{R}^2$, we present an algorithm that runs in optimal $\Theta(n\log n)$ time and $\Theta(n)$ space to solve a restricted version of the $1$-Steiner tree problem. Our algorithm returns a minimum-weight tree interconnecting $P$ using at most one Steiner point $s \in \gamma$, where edges are weighted by the Euclidean distance between their endpoints. We then extend the result to $j$ input lines. Following this, we show how the algorithm of Brazil et al. ("Generalised k-Steiner Tree Problems in Normed Planes", arXiv:1111.1464) that solves the $k$-Steiner tree problem in $\mathbb{R}^2$ in $O(n^{2k})$ time can be adapted to our setting. For $k>1$, restricting the (at most) $k$ Steiner points to lie on an input line, the runtime becomes $O(n^{k})$. Next we show how the results of Brazil et al. ("Generalised k-Steiner Tree Problems in Normed Planes", arXiv:1111.1464) allow us to maintain the same time and space bounds while extending to some non-Euclidean norms and different tree cost functions. Lastly, we extend the result to $j$ input curves.

Knowledge graph (KG) embeddings learn low-dimensional representations of entities and relations to predict missing facts. KGs often exhibit hierarchical and logical patterns which must be preserved in the embedding space. For hierarchical data, hyperbolic embedding methods have shown promise for high-fidelity and parsimonious representations. However, existing hyperbolic embedding methods do not account for the rich logical patterns in KGs. In this work, we introduce a class of hyperbolic KG embedding models that simultaneously capture hierarchical and logical patterns. Our approach combines hyperbolic reflections and rotations with attention to model complex relational patterns. Experimental results on standard KG benchmarks show that our method improves over previous Euclidean- and hyperbolic-based efforts by up to 6.1% in mean reciprocal rank (MRR) in low dimensions. Furthermore, we observe that different geometric transformations capture different types of relations while attention-based transformations generalize to multiple relations. In high dimensions, our approach yields new state-of-the-art MRRs of 49.6% on WN18RR and 57.7% on YAGO3-10.

Graph-based semi-supervised learning (SSL) is an important learning problem where the goal is to assign labels to initially unlabeled nodes in a graph. Graph Convolutional Networks (GCNs) have recently been shown to be effective for graph-based SSL problems. GCNs inherently assume existence of pairwise relationships in the graph-structured data. However, in many real-world problems, relationships go beyond pairwise connections and hence are more complex. Hypergraphs provide a natural modeling tool to capture such complex relationships. In this work, we explore the use of GCNs for hypergraph-based SSL. In particular, we propose HyperGCN, an SSL method which uses a layer-wise propagation rule for convolutional neural networks operating directly on hypergraphs. To the best of our knowledge, this is the first principled adaptation of GCNs to hypergraphs. HyperGCN is able to encode both the hypergraph structure and hypernode features in an effective manner. Through detailed experimentation, we demonstrate HyperGCN's effectiveness at hypergraph-based SSL.