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For many algorithmic problems, traditional algorithms that optimise on the number of instructions executed prove expensive on I/Os. Novel and very different design techniques, when applied to these problems, can produce algorithms that are…
Production software oftentimes suffers from the issue of performance inefficiencies caused by inappropriate use of data structures, programming abstractions, and conservative compiler optimizations. It is desirable to avoid unnecessary…
Multiscale is a hallmark feature of complex nonlinear systems. While the simulation using the classical numerical methods is restricted by the local \textit{Taylor} series constraints, the multiscale techniques are often limited by finding…
A consequent approach is proposed to construct symplectic force-gradient algorithms of arbitrarily high orders in the time step for precise integration of motion in classical and quantum mechanics simulations. Within this approach the basic…
Quantum optimal control problems are typically solved by gradient-based algorithms such as GRAPE, which suffer from exponential growth in storage with increasing number of qubits and linear growth in memory requirements with increasing…
A general asynchronous alternating iterative model is designed, for which convergence is theoretically ensured both under classical spectral radius bound and, then, for a classical class of matrix splittings for $\mathsf H$-matrices. The…
We describe a modified version of the NBODY6 code for simulating star clusters which greatly improves computational efficiency while sacrificing little in the way of accuracy. The distant force calculator is replaced by a GPU-enabled…
This paper presents a Graphics Processing Units (GPUs) acceleration method of an iterative scheme for gas-kinetic model equations. Unlike the previous GPU parallelization of explicit kinetic schemes, this work features a fast converging…
Exponential Random Graph Models (ERGMs) are an inferential model for analysing statistical networks. Recent development in ERGMs uses hierarchical Bayesian setup to jointly model a group of networks, which is called a multiple-network…
A fast algorithm to study one-dimensional self-gravitating systems, and, more generally, systems that are Lagrangian integrable between collisions, is presented. The algorithm is event-driven, and uses a heap-ordered set of predicted future…
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…
We present a fast and scalable framework, leveraging graph neural networks (GNNs) and hierarchical matrix ($\mathcal{H}$-matrix) techniques, for simulating large-scale particulate suspensions, which have broader impacts across science and…
Molecular dynamics simulations can generate atomically detailed trajectories of complex systems, but analyzing these dynamics can be challenging when systems lack well-established quantitative descriptors (features). Graph neural networks…
This paper proposes an efficient hypergraph partitioning framework based on a novel multi-objective non-convex constrained relaxation model. A modified accelerated proximal gradient algorithm is employed to generate diverse $k$-dimensional…
Many iterative and non-iterative methods have been developed for inverse problems associated with Ising models. Aiming to derive an accurate non-iterative method for the inverse problems, we employ the tree-reweighted approximation. Using…
A method of adapting smoothed particle hydrodynamics (SPH) with periodic boundary conditions for use with the special purpose device GRAPE is presented. GRAPE (GRAvity PipE) solves the Poisson and force equations for an N-body system by…
Chiplet-based integration enables large-scale systems that combine diverse technologies, enabling higher yield, lower costs, and scalability, making them well-suited to AI workloads. Processing-in-Memory (PIM) has emerged as a promising…
The TREE method has been widely used for long-range interaction {\it N}-body problems. We have developed a parallel TREE code for two-component classical plasmas with open boundary conditions and highly non-uniform charge distributions. The…
Simulating physical problems involving multi-time scale coupling is challenging due to the need of solving these multi-time scale processes simultaneously. In response to this challenge, this paper proposed an explicit multi-time step…
We present a novel hierarchical formulation of the fourth-order forward symplectic integrator and its numerical implementation in the GPU-accelerated direct-summation N-body code FROST. The new integrator is especially suitable for…