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A quantum computing simulation provides the opportunity to explore the behaviors of quantum circuits, study the properties of quantum gates, and develop quantum computing algorithms. Simulating quantum circuits requires geometric time and…
Programming robots is a complicated and time-consuming task. A robot is essentially a real-time, distributed embedded system. Often, control and communication paths within the system are tightly coupled to the actual physical configuration…
Deep learning is widely used to uncover hidden patterns in large code corpora. To achieve this, constructing a format that captures the relevant characteristics and features of source code is essential. Graph-based representations have…
CFD users of supercomputers usually resort to rule-of-thumb methods to select the number of subdomains (partitions) when relying on MPI-based parallelization. One common approach is to set a minimum number of elements or cells per…
Training large language models (LLMs) is a computationally intensive task, which is typically conducted in data centers with homogeneous high-performance GPUs. In this paper, we explore an alternative approach by deploying training…
GPUs have significantly accelerated first-order methods for large-scale optimization, especially in continuous optimization. However, this success has not transferred cleanly to problems with discrete variables, combinatorial structure, and…
Model-driven engineering (MDE) provides abstraction and analytical rigour, but industrial adoption in many domains has been limited by the cost of developing and maintaining models. Large language models (LLMs) can help shift this cost…
To address the challenge of performance portability, and facilitate the implementation of electronic structure solvers, we developed the Basic Matrix Library (BML) and Parallel, Rapid O(N) and Graph-based Recursive Electronic Structure…
Spatial Branch and Bound (B&B) algorithms are widely used for solving nonconvex problems to global optimality, yet they remain computationally expensive. Though some works have been carried out to speed up B&B via CPU parallelization, GPU…
Cyber-Physical Systems (CPS) produce behavior through execution on substrates coupling computation with physical processes. However, usual engineering approaches do not treat execution semantics as first-class engineering entities. Formal…
High-level programming languages such as Python are increasingly used to provide intuitive interfaces to libraries written in lower-level languages and for assembling applications from various components. This migration towards…
With the growth of machine learning algorithms with geometry primitives, a high-efficiency library with differentiable geometric operators are desired. We present an optimized Differentiable Geometry Algorithm Library (DGAL) loaded with…
Domain-Driven Solver (DDS) is a MATLAB-based software package for convex optimization problems in Domain-Driven form [Karimi and Tun\c{c}el, arXiv:1804.06925]. The current version of DDS accepts every combination of the following…
This paper introduces a random-batch molecular dynamics (RBMD) package for fast simulations of particle systems at the nano/micro scale. Different from existing packages, the RBMD uses random batch methods for nonbonded interactions of…
Our long term goal is to execute General Purpose computation on homogeneous computing media consisting of millions of small identical Processing Elements (PE) communicating locally. We proceed by simulating the Self-Development of a Network…
Simulations based on particle methods, such as Smoothed Particle Hydrodynamics (SPH), are known to be computationally demanding. While such methods have for long been executed in parallel on multi-core CPUs, in recent years the increasing…
All simulation approaches eventually face limits in computational scalability when applied to large spatiotemporal domains. This challenge becomes especially apparent in molecular-level particle simulations, where high spatial and temporal…
Molecular dynamics facilitates the simulation of a complex system to be analyzed at molecular and atomic levels. Simulations can last a long period of time, even months. Due to this cause the graphics processing units (GPUs) and multi-core…
The electrical and electronic engineering has used parallel programming to solve its large scale complex problems for performance reasons. However, as parallel programming requires a non-trivial distribution of tasks and data, developers…
We present DiffXPBD, a novel and efficient analytical formulation for the differentiable position-based simulation of compliant constrained dynamics (XPBD). Our proposed method allows computation of gradients of numerous parameters with…