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Stefanos-Aldo Papanicolopulos

Publications and source records attributed to Stefanos-Aldo Papanicolopulos.

5 recordsLinked to original sources

Learned Adaptive Mesh Generation

Elliptic Partial Differential Equations (PDEs) play a central role in computing the equilibrium conditions of physical problems (heat, gravitation, electrostatics, etc.). Efficient solutions to elliptic PDEs are also relevant to computer graphics since they encode global smoothness with local control leading to stable, well-behaved solutions. The Poisson equation is a linear elliptic PDE that serves as a prototypical candidate to assess newly-proposed solvers. Solving the Poisson equation on an arbitrary 3D domain, say a 3D scan of a turbine's blade, is computationally expensive and scales quadratically with discretization. Traditional workflows in research and industry exploit variants of the finite element method (FEM), but some key benefits of using Monte Carlo (MC) methods have been identified. Our key idea is to exploit a sparse and approximate solution (via FEM or MC) to the Poisson equation towards inferring an adaptive discretization in one shot. We achieve this by training a lightweight neural network that generalizes across shapes and boundary conditions. Our algorithm, Learned Adaptive Mesh Generation (LAMG), maps from a coarse solution to a sizing field that defines a local (adaptive) spatial resolution. This output space, rather than directly predicting a high-resolution solution, is a unique aspect of our approach. We use standard methods to generate tetrahedral meshes that respect the sizing field, and obtain the solution via one FEM computation on the adaptive mesh. That is, our neural network serves as a surrogate model of a computationally expensive method that requires multiple (iterative) FEM solves. We demonstrate the versatility, controllability, robustness and efficiency of LAMG via systematic experimentation.

cs.GR↗

Derivatives of the full QR factorisation and of the factored-form and compact WY representations

QR factorisation plays an important role in matrix computations. Within the context of optimisation and of automatic differentiation of such computations, we need to compute the derivative of this factorisation. For tall matrices, however, existing results only cover the so-called thin case. We provide for the first time expressions for the derivative of the full QR factorisation of a tall matrix, in the usual case where the Q factor is a product of Householder reflections. These expressions are obtained based on novel results for the derivative of the compact WY representation of Q, which also yield the derivative of the factored-form representation of Q, both of which are useful on their own. These three results can be used directly in applications such as variable projection for solving separable non-linear least squares problems, and can also extend the current linear algebra capabilities of automatic differentiation frameworks.

math.NA↗

Towards scientific machine learning for granular material simulations -- challenges and opportunities

Micro-scale mechanisms, such as inter-particle and particle-fluid interactions, govern the behaviour of granular systems. While particle-scale simulations provide detailed insights into these interactions, their computational cost is often prohibitive. Attended by researchers from both the granular materials (GM) and machine learning (ML) communities, a recent Lorentz Center Workshop on "Machine Learning for Discrete Granular Media" brought the ML community up to date with GM challenges. This position paper emerged from the workshop discussions. We define granular materials and identify seven key challenges that characterise their distinctive behaviour across various scales and regimes, ranging from gas-like to fluid-like and solid-like. Addressing these challenges is essential for developing robust and efficient digital twins for granular systems in various industrial applications. To showcase the potential of ML to the GM community, we present classical and emerging machine/deep learning techniques that have been, or could be, applied to granular materials. We reviewed sequence-based learning models for path-dependent constitutive behaviour, followed by encoder-decoder type models for representing high-dimensional data. We then explore graph neural networks and recent advances in neural operator learning. Lastly, we discuss model-order reduction and probabilistic learning techniques for high-dimensional parameterised systems, which are crucial for quantifying uncertainties arising from physics-based and data-driven models. We present a workflow aimed at unifying data structures and modelling pipelines and guiding readers through the selection, training, and deployment of ML surrogates for granular material simulations. Finally, we illustrate the workflow's practical use with two representative examples, focusing on granular materials in solid-like and fluid-like regimes.

cond-mat.soft↗

New fully symmetric and rotationally symmetric cubature rules on the triangle using minimal orthonormal bases

Cubature rules on the triangle have been extensively studied, as they are of great practical interest in numerical analysis. In most cases, the process by which new rules are obtained does not preclude the existence of similar rules with better characteristics. There is therefore clear interest in searching for better cubature rules. Here we present a number of new cubature rules on the triangle, exhibiting full or rotational symmetry, that improve on those available in the literature either in terms of number of points or in terms of quality. These rules were obtained by determining and implementing minimal orthonormal polynomial bases that can express the symmetries of the cubature rules. As shown in specific benchmark examples, this results in significantly better performance of the employed algorithm.

math.NA↗