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Graph Neural Networks (GNNs) have gained significant traction for simulating complex physical systems, with models like MeshGraphNet demonstrating strong performance on unstructured simulation meshes. However, these models face several…
A Bayesian approach to nonlinear inverse problems is considered where the unknown quantity (input) is a random spatial field. The forward model is complex and non-linear, therefore computationally expensive. An emulator-based methodology is…
A fast algorithm for B-splines in mixed models is presented. B-splines have local support and are computational attractive, because the corresponding matrices are sparse. A key element of the new algorithm is that the local character of…
Machine learning can accelerate cosmological inferences that involve many sequential evaluations of computationally expensive data vectors. Previous works in this series have examined how machine learning architectures impact emulator…
Normal multi-scale transform [4] is a nonlinear multi-scale transform for representing geometric objects that has been recently investigated [1, 7, 10]. The restrictive role of the exact order of polynomial reproduction $P_e$ of the…
We present a set of rules to guide the design of GPU algorithms. These rules are grounded on the principle of reducing waste in GPU utility to achieve good speed up. In accordance to these rules, we propose GPU algorithms for 2D…
Spline functions have long been used in numerical solution of differential equations. Recently it revives as isogeometric analysis, which offers integration of finite element analysis and NURBS based CAD into a single unified process.…
We provide a preliminary study on utilizing GPU (Graphics Processing Unit) to accelerate computation for three simulation optimization tasks with either first-order or second-order algorithms. Compared to the implementation using only CPU…
Many recently introduced enhanced sampling techniques are based on biasing coarse descriptors (collective variables) of a molecular system on the fly. Sometimes the calculation of such collective variables is expensive and becomes a…
Physics-informed machine learning offers a promising framework for solving complex partial differential equations (PDEs) by integrating observational data with governing physical laws. However, learning PDEs with varying parameters and…
Reconstruction of geometry based on different input modes, such as images or point clouds, has been instrumental in the development of computer aided design and computer graphics. Optimal implementations of these applications have…
We present a coherent, re-usable python framework which further builds on the cosmological emulator code CosmoPower. In the current era of high-precision cosmology, we require high-accuracy calculations of cosmological observables with…
Multi-degree splines are smooth piecewise-polynomial functions where the pieces can have different degrees. We describe a simple algorithmic construction of a set of basis functions for the space of multi-degree splines, with similar…
This paper explores learning emulators for parameter estimation with uncertainty estimation of high-dimensional dynamical systems. We assume access to a computationally complex simulator that inputs a candidate parameter and outputs a…
Classical Molecular Dynamics (MD) simulations provide insight on the properties of many soft-matter systems. In some situations it is interesting to model the creation of chemical bonds, a process that is not part of the MD framework. In…
Over the last couple of years it has been realized that the vast computational power of graphics processing units (GPUs) could be harvested for purposes other than the video game industry. This power, which at least nominally exceeds that…
A piecewise Chebyshevian spline space is good for design when it possesses a B-spline basis and this property is preserved under knot insertion. The interest in such kind of spaces is justified by the fact that, similarly as for polynomial…
Bidimensional spiking models currently gather a lot of attention for their simplicity and their ability to reproduce various spiking patterns of cortical neurons, and are particularly used for large network simulations. These models…
In order to make the numerical simulation of atherosclerotic plaque growth feasible, a temporal homogenization approach is employed. The resulting macro-scale problem for the plaque growth can be further accelerated by using parallel time…
In recent years, due to a higher demand for portable devices, which provide restricted amounts of processing capacity and battery power, the need for energy and time efficient hard- and software solutions has increased. Preliminary…