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A machine-learnable variational scheme using Gaussian radial basis functions (GRBFs) is presented and used to approximate linear problems on bounded and unbounded domains. In contrast to standard mesh-free methods, which use GRBFs to…
This paper concerns the construction and analysis of a numerical scheme for a mixed discrete-continuous fragmentation equation. A finite volume scheme is developed, based on a conservative formulation of a truncated version of the…
In this article we design a novel quasi-regression Monte Carlo algorithm in order to approximate the solution of discrete time backward stochastic differential equations (BSDEs), and we analyze the convergence of the proposed method. The…
The theoretical models providing mathematical abstractions for several significant optimization problems in machine learning, combinatorial optimization, computer vision and statistical physics have intrinsic similarities. We propose a…
Bayesian optimization (BO) is a widely-used method for optimizing expensive (to evaluate) problems. At the core of most BO methods is the modeling of the objective function using a Gaussian Process (GP) whose covariance is selected from a…
Most compilers for machine learning (ML) frameworks need to solve many correlated optimization problems to generate efficient machine code. Current ML compilers rely on heuristics based algorithms to solve these optimization problems one at…
Graphs have been widely used to represent complex data in many applications. Efficient and effective analysis of graphs is important for graph-based applications. However, most graph analysis tasks are combinatorial optimization (CO)…
Graphical models with change-points are computationally challenging to fit, particularly in cases where the number of observation points and the number of nodes in the graph are large. Focusing on Gaussian graphical models, we introduce an…
In this paper we study a variational problem in the space of functions of bounded Hessian. Our model constitutes a straightforward higher-order extension of the well known ROF functional (total variation minimisation) to which we add a…
This work presents an abstract framework for the design, implementation, and analysis of the multiscale spectral generalized finite element method (MS-GFEM), a particular numerical multiscale method originally proposed in [I. Babuska and R.…
Consensus-based optimization (CBO) is a versatile multi-particle optimization method for performing nonconvex and nonsmooth global optimizations in high dimensions. Proofs of global convergence in probability have been achieved for a broad…
Massively-parallel graph algorithms have received extensive attention over the past decade, with research focusing on three memory regimes: the superlinear regime, the near-linear regime, and the sublinear regime. The sublinear regime is…
The hardness of combinatorial optimization (CO) problems hinders collecting solutions for supervised learning. However, learning neural networks for CO problems is notoriously difficult in lack of the labeled data as the training is easily…
Move blocking (MB) is a widely used strategy to reduce the degrees of freedom of the Optimal Control Problem (OCP) arising in receding horizon control. The size of the OCP is reduced by forcing the input variables to be constant over…
The implementation of the orbital minimization method (OMM) for solving the self-consistent Kohn-Sham (KS) problem for electronic structure calculations in a basis of non-orthogonal numerical atomic orbitals of finite-range is reported. We…
Graph-based machine learning models for materials properties show great potential to accelerate virtual high-throughput screening of large chemical spaces. However, in their simplest forms, graph-based models do not include any 3D…
We combine the work of Garg and Konemann, and Fleischer with ideas from dynamic graph algorithms to obtain faster (1-eps)-approximation schemes for various versions of the multicommodity flow problem. In particular, if eps is moderately…
Learning complex multi-agent system dynamics from data is crucial across many domains, such as in physical simulations and material modeling. Extended from purely data-driven approaches, existing physics-informed approaches such as…
Optimisation problems often have multiple conflicting objectives that can be computationally and/or financially expensive. Mono-surrogate Bayesian optimisation (BO) is a popular model-based approach for optimising such black-box functions.…
This paper presents a novel meta algorithm, Partition-Merge (PM), which takes existing centralized algorithms for graph computation and makes them distributed and faster. In a nutshell, PM divides the graph into small subgraphs using our…