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Data-based discovery of effective, coarse-grained (CG) models of high-dimensional dynamical systems presents a unique challenge in computational physics and particularly in the context of multiscale problems. The present paper offers a…
The fundamental aim of clustering algorithms is to partition data points. We consider tasks where the discovered partition is allowed to vary with some covariate such as space or time. One approach would be to use fragmentation-coagulation…
Surrogate models for computational simulations are input-output approximations that allow computationally intensive analyses, such as uncertainty propagation and inference, to be performed efficiently. When a simulation output does not…
Simulation-based Inference (SBI) is a widely used set of algorithms to learn the parameters of complex scientific simulation models. While primarily run on CPUs in HPC clusters, these algorithms have been shown to scale in performance when…
Graph neural networks (GNN) have emerged as a promising machine learning method for microstructure simulations such as grain growth. However, accurate modeling of realistic grain boundary networks requires large simulation cells, which GNN…
In this work, we optimize speculative sampling for parallel hardware accelerators to improve sampling speed. We notice that substantial portions of the intermediate matrices necessary for speculative sampling can be computed concurrently.…
Despite the recent advances in graphics hardware capabilities, a brute force approach is incapable of interactively displaying terabytes of data. We have implemented a system that uses hierarchical level-of-detailing for the results of…
Granular materials are of critical interest to many robotic tasks in planetary science, construction, and manufacturing. However, the dynamics of granular materials are complex and often computationally very expensive to simulate. We…
Kinetic plasma simulations solve the Vlasov-Poisson or Vlasov-Maxwell equations to evolve scalar-variable distribution functions in position-velocity phase space and vector-variable electromagnetic fields in physical space. The…
One of the main purposes of this article is to give functional equations and differential equations between Bernstein basis functions and generating functions of B-spline curves. Using these equations, very useful formulas containing the…
Detector response to a high-energy physics process is often estimated by Monte Carlo simulation. For purposes of data analysis, the results of this simulation are typically stored in large multi-dimensional histograms, which can quickly…
We introduce statistical techniques required to handle complex computer models with potential applications to astronomy. Computer experiments play a critical role in almost all fields of scientific research and engineering. These computer…
A way to accelerate DEM calculations on the GPUs is developed. We examined how warp divergences take place in the contact detection and the force calculations taking account of the GPU architecture. Then we showed a strategy to reduce the…
Many real-world optimization problems contain parameters that are unknown before deployment time, either due to stochasticity or to lack of information (e.g., demand or travel times in delivery problems). A common strategy in such cases is…
Machine learning algorithms are becoming increasingly prevalent and performant in the reconstruction of events in accelerator-based neutrino experiments. These sophisticated algorithms can be computationally expensive. At the same time, the…
We consider a second order linear evolution equation with a dissipative term multiplied by a time-dependent coefficient. Our aim is to design the coefficient in such a way that all solutions decay in time as fast as possible. We discover…
Training Large Language Models(LLMs) is one of the most compute-intensive tasks in high-performance computing. Predicting end-to-end training time for multi-billion parameter models distributed across hundreds of GPUs remains challenging…
Symbolic regression that aims to detect underlying data-driven models has become increasingly important for industrial data analysis. For most existing algorithms such as genetic programming (GP), the convergence speed might be too slow for…
Discontinuities in spatial derivatives appear in a wide range of physical systems, from creased thin sheets to materials with sharp stiffness transitions. Accurately modeling these features is essential for simulation but remains…
Meta-learning offers a principled framework leveraging \emph{task-invariant} priors from related tasks, with which \emph{task-specific} models can be fine-tuned on downstream tasks, even with limited data records. Gradient-based…