Related papers: Efficient Scheme for Active Particle Selection in …
Genomic studies face a vast hypothesis space, while interventions such as gene perturbations remain costly and time-consuming. To accelerate such experiments, gene perturbation models predict the transcriptional outcome of interventions.…
Heterogeneous multiscale methods (HMM) combine molecular accuracy of particle-based simulations with the computational efficiency of continuum descriptions to model flow in soft matter liquids. In these schemes, molecular simulations…
Iterative Hessian sketch (IHS) is an effective sketching method for modeling large-scale data. It was originally proposed by Pilanci and Wainwright (2016; JMLR) based on randomized sketching matrices. However, it is computationally…
In this work, we forecast the number of, and requirements on, N-body simulations needed to train hybrid effective field theory (HEFT) emulators for a range of use cases, using a hybrid of HMcode and perturbation theory as a surrogate model.…
The fitting of spectral lines is a common step in the analysis of line observations and simulations. However, the observational noise, the presence of multiple velocity components, and potentially large data sets make it a non-trivial task.…
Cosmological large scale structure $N$-body simulations are computation-light, memory-heavy problems in supercomputing. The considerable amount of memory is usually dominated by an inefficient way of storing more than sufficient phase space…
A simple and efficient algorithm of the molecular-dynamics simulation of the hard disk system based on the Event-Driven method is developed. From the analysis of algorithm, the complexity is O(log N) per 1 event, and the constant…
We present a high-fidelity realization of the cosmological $N$-body simulation from the Schneider et al. (2016) code comparison project. The simulation was performed with our Abacus $N$-body code, which offers high force accuracy, high…
Physical computing is a technology utilizing the nature of electronic devices and circuit topology to cope with computing tasks. In this paper, we propose an active circuit network to implement multi-scale Gaussian filter, which is also…
An algorithm for fast calculation of the Coulombic forces and energies of point particles with free boundary conditions is proposed. Its calculation time scales as N log N for N particles. This novel method has lower crossover point with…
Gradient ascent pulse engineering algorithm (GRAPE) is a typical method to solve quantum optimal control problems. However, it suffers from an exponential resource in computing the time evolution of quantum systems with the increasing…
In this paper we present a hybrid active sampling strategy for pairwise preference aggregation, which aims at recovering the underlying rating of the test candidates from sparse and noisy pairwise labelling. Our method employs Bayesian…
This work presents novel discrete event-based simulation algorithms based on the Quantized State System (QSS) numerical methods. QSS provides attractive features for particle transportation processes, in particular a very efficient handling…
The pivot algorithm for self-avoiding walks has been implemented in a manner which is dramatically faster than previous implementations, enabling extremely long walks to be efficiently simulated. We explicitly describe the data structures…
Large-scale simulations of plasmas are essential for advancing our understanding of fusion devices, space, and astrophysical systems. Particle-in-Cell (PIC) codes have demonstrated their success in simulating numerous plasma phenomena on…
The large dynamic range in some astrophysical N-body problems led to the use of adaptive multi-time-steps; however, the search for optimal strategies is still challenging. We numerically quantify the performance of the hierarchical…
Density functionals at the level of the Generalized Gradient Approximation (GGA) and a plane-wave basis set are widely used today to perform ab initio molecular dynamics (AIMD) simulations. Going up in the ladder of accuracy of density…
Accurately solving partial differential equations (PDEs) is critical to understanding complex scientific and engineering phenomena, yet traditional numerical solvers are computationally expensive. Surrogate models offer a more efficient…
In this study, we propose a quantum-classical hybrid scheme for performing orbital-free density functional theory (OFDFT) using probabilistic imaginary-time evolution (PITE), designed for the era of fault-tolerant quantum computers (FTQC),…
We present a new particle-based (discrete element) numerical method for the simulation of granular dynamics, with application to motions of particles on small solar system body and planetary surfaces. The method employs the parallel N-body…