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Runge-Kutta methods have an irreplaceable position among numerical methods designed to solve ordinary differential equations. Especially, implicit ones are suitable for approximating solutions of stiff initial value problems. We propose a new way of deriving coefficients of implicit Runge-Kutta methods. This approach based on repeated integrals yields both new and well-known Butcher's tableaux. We discuss the properties of newly derived methods and compare them with standard collocation implicit Runge-Kutta methods in a series of numerical experiments, including the Prothero-Robinson problem.

The maximal regularity property of discontinuous Galerkin methods for linear parabolic equations is used together with variational techniques to establish a priori and a posteriori error estimates of optimal order under optimal regularity assumptions. The analysis is set in the maximal regularity framework of UMD Banach spaces. Similar results were proved in an earlier work, based on the consistency analysis of Radau IIA methods. The present error analysis, which is based on variational techniques, is of independent interest, but the main motivation is that it extends to nonlinear parabolic equations; in contrast to the earlier work. Both autonomous and nonautonomous linear equations are considered.

Gaussian Process differential equations (GPODE) have recently gained momentum due to their ability to capture dynamics behavior of systems and also represent uncertainty in predictions. Prior work has described the process of training the hyperparameters and, thereby, calibrating GPODE to data. How to design efficient algorithms to collect data for training GPODE models is still an open field of research. Nevertheless high-quality training data is key for model performance. Furthermore, data collection leads to time-cost and financial-cost and might in some areas even be safety critical to the system under test. Therefore, algorithms for safe and efficient data collection are central for building high quality GPODE models. Our novel Safe Active Learning (SAL) for GPODE algorithm addresses this challenge by suggesting a mechanism to propose efficient and non-safety-critical data to collect. SAL GPODE does so by sequentially suggesting new data, measuring it and updating the GPODE model with the new data. In this way, subsequent data points are iteratively suggested. The core of our SAL GPODE algorithm is a constrained optimization problem maximizing information of new data for GPODE model training constrained by the safety of the underlying system. We demonstrate our novel SAL GPODE's superiority compared to a standard, non-active way of measuring new data on two relevant examples.

This article presents a comparative analysis of GPU-parallelized implementations of the quantum-inspired evolutionary optimization (QIEO) approach and one of the well-known classical metaheuristic techniques, the genetic algorithm (GA). The study assesses the performance of both algorithms on highly non-linear, non-convex, and non-separable function optimization problems, viz., Ackley, Rosenbrock, and Rastrigin, that are representative of the complex real-world optimization problems. The performance of these algorithms is checked by varying the population sizes by keeping all other parameters constant and comparing the fitness value it reached along with the number of function evaluations they required for convergence. The results demonstrate that QIEO performs better for these functions than GA, by achieving the target fitness with fewer function evaluations and significantly reducing the total optimization time approximately three times for the Ackley function and four times for the Rosenbrock and Rastrigin functions. Furthermore, QIEO exhibits greater consistency across trials, with a steady convergence rate that leads to a more uniform number of function evaluations, highlighting its reliability in solving challenging optimization problems. The findings indicate that QIEO is a promising alternative to GA for these kind of functions.

We consider the vorticity formulation of the Euler equations describing the flow of a two-dimensional incompressible ideal fluid on the sphere. Zeitlin's model provides a finite-dimensional approximation of the vorticity formulation that preserves the underlying geometric structure: it consists of an isospectral Lie--Poisson flow on the Lie algebra of skew-Hermitian matrices. We propose an approximation of Zeitlin's model based on a time-dependent low-rank factorization of the vorticity matrix and evolve a basis of eigenvectors according to the Euler equations. In particular, we show that the approximate flow remains isospectral and Lie--Poisson and that the error in the solution, in the approximation of the Hamiltonian and of the Casimir functions only depends on the approximation of the vorticity matrix at the initial time. The computational complexity of solving the approximate model is shown to scale quadratically with the order of the vorticity matrix and linearly if a further approximation of the stream function is introduced.

Resided at the intersection of multi-fidelity optimization (MFO) and Bayesian optimization (BO), MF BO has found a niche in solving expensive engineering design optimization problems, thanks to its advantages in incorporating physical and mathematical understandings of the problems, saving resources, addressing exploitation-exploration trade-off, considering uncertainty, and processing parallel computing. The increasing number of works dedicated to MF BO suggests the need for a comprehensive review of this advanced optimization technique. In this paper, we survey recent developments of two essential ingredients of MF BO: Gaussian process (GP) based MF surrogates and acquisition functions. We first categorize the existing MF modeling methods and MFO strategies to locate MF BO in a large family of surrogate-based optimization and MFO algorithms. We then exploit the common properties shared between the methods from each ingredient of MF BO to describe important GP-based MF surrogate models and review various acquisition functions. By doing so, we expect to provide a structured understanding of MF BO. Finally, we attempt to reveal important aspects that require further research for applications of MF BO in solving intricate yet important design optimization problems, including constrained optimization, high-dimensional optimization, optimization under uncertainty, and multi-objective optimization.

Bayesian optimization devolves the global optimization of a costly objective function to the global optimization of a sequence of acquisition functions. This inner-loop optimization can be catastrophically difficult if it involves posterior sample paths, especially in higher dimensions. We introduce an efficient global optimization strategy for posterior samples based on global rootfinding. It provides gradient-based optimizers with two sets of judiciously selected starting points, designed to combine exploration and exploitation. The number of starting points can be kept small without sacrificing optimization quality. Remarkably, even with just one point from each set, the global optimum is discovered most of the time. The algorithm scales practically linearly to high dimensions, breaking the curse of dimensionality. For Gaussian process Thompson sampling (GP-TS), we demonstrate remarkable improvement in both inner- and outer-loop optimization, surprisingly outperforming alternatives like EI and GP-UCB in most cases. Our approach also improves the performance of other posterior sample-based acquisition functions, such as variants of entropy search. Furthermore, we propose a sample-average formulation of GP-TS, which has a parameter to explicitly control exploitation and can be computed at the cost of one posterior sample. Our implementation is available at //github.com/UQUH/TSRoots .

Randomly pivoted Cholesky (RPCholesky) is an algorithm for constructing a low-rank approximation of a positive-semidefinite matrix using a small number of columns. This paper develops an accelerated version of RPCholesky that employs block matrix computations and rejection sampling to efficiently simulate the execution of the original algorithm. For the task of approximating a kernel matrix, the accelerated algorithm can run over $40\times$ faster. The paper contains implementation details, theoretical guarantees, experiments on benchmark data sets, and an application to computational chemistry.

Due to their inherent capability in semantic alignment of aspects and their context words, attention mechanism and Convolutional Neural Networks (CNNs) are widely applied for aspect-based sentiment classification. However, these models lack a mechanism to account for relevant syntactical constraints and long-range word dependencies, and hence may mistakenly recognize syntactically irrelevant contextual words as clues for judging aspect sentiment. To tackle this problem, we propose to build a Graph Convolutional Network (GCN) over the dependency tree of a sentence to exploit syntactical information and word dependencies. Based on it, a novel aspect-specific sentiment classification framework is raised. Experiments on three benchmarking collections illustrate that our proposed model has comparable effectiveness to a range of state-of-the-art models, and further demonstrate that both syntactical information and long-range word dependencies are properly captured by the graph convolution structure.

We introduce a multi-task setup of identifying and classifying entities, relations, and coreference clusters in scientific articles. We create SciERC, a dataset that includes annotations for all three tasks and develop a unified framework called Scientific Information Extractor (SciIE) for with shared span representations. The multi-task setup reduces cascading errors between tasks and leverages cross-sentence relations through coreference links. Experiments show that our multi-task model outperforms previous models in scientific information extraction without using any domain-specific features. We further show that the framework supports construction of a scientific knowledge graph, which we use to analyze information in scientific literature.