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Graphical model has been widely used to investigate the complex dependence structure of high-dimensional data, and it is common to assume that observed data follow a homogeneous graphical model. However, observations usually come from…
A graphical user interface (GUI) software is provided for lattice QCD simulations, aimed at streamlining the process. The current version of the software employs the Metropolis algorithm with the Wilson gauge action. It is implemented in…
We present a novel graph transformer framework, HAMLET, designed to address the challenges in solving partial differential equations (PDEs) using neural networks. The framework uses graph transformers with modular input encoders to directly…
The MechElastic Python package evaluates the mechanical and elastic properties of bulk and 2D materials using the elastic coefficient matrix ($C_{ij}$) obtained from any ab-initio density-functional theory (DFT) code. The current version of…
Recent developments dedicated to the building of multiscale mechanical and chemical constitutive laws for energetic molecular crystals are presented and discussed. In particular, various tools have been specifically incorporated in…
Parse graphs have been widely used in Human Pose Estimation (HPE) to model the hierarchical structure and context relations of the human body. However, such methods often suffer from parameter redundancy. More importantly, they rely on…
A compiler's intermediate representation (IR) defines a program's execution plan by encoding its instructions and their relative order. Compiler optimizations aim to replace a given execution plan with a semantically-equivalent one that…
We propose a physics-informed machine learning framework called P-DivGNN to reconstruct local stress fields at the micro-scale, in the context of multi-scale simulation given a periodic micro-structure mesh and mean, macro-scale, stress…
Parametric Computer-aided design (CAD) enables the creation of reusable models by integrating variables into geometric properties, facilitating customization without a complete redesign. However, creating parametric designs in…
FEMPAR is an open source object oriented Fortran200X scientific software library for the high-performance scalable simulation of complex multiphysics problems governed by partial differential equations at large scales, by exploiting…
Numerical simulations are commonly used to understand the parameter dependence of given spatio-temporal phenomena. Sampling a multi-dimensional parameter space and running the respective simulations leads to an ensemble of a large number of…
The numerical approximation of partial differential equations (PDEs) using neural networks has seen significant advancements through Physics-Informed Neural Networks (PINNs). Despite their straightforward optimization framework and…
Large language models (LLMs) are establishing new paradigms for engineering applications by enabling natural language control of complex computational workflows. This paper introduces FeaGPT, the first framework to achieve complete…
While mixed-integer linear programming and convex programming solvers have advanced significantly over the past several decades, solution technologies for general mixed-integer nonlinear programs (MINLPs) have yet to reach the same level of…
In existing literature, while approximate approaches based on Monte-Carlo simulation technique have been proposed to compute the semantics of probabilistic argumentation, how to improve the efficiency of computation without using simulation…
Modeling of physical systems includes extensive use of software packages that implement the accurate finite element method for solving differential equations considered along with the appropriate initial and boundary conditions. When the…
This article presents the toolbox FormOpt for two- and three-dimensional shape optimization with parallel computing capabilities, built on the FEniCSx software framework. We introduce fundamental concepts of shape sensitivity analysis and…
This document summarizes the main concepts of the finite element (FE) theory and constitutive relations as implemented in the open-source code phase-field multiphysics materials simulator PHIMATS https://github.com/ahcomat/PHIMATS. PHIMATS…
Several applications in astrophysics require adequately resolving many physical and temporal scales which vary over several orders of magnitude. Adaptive mesh refinement techniques address this problem effectively but often result in…
Simulations with an explicit description of intermolecular forces using electronic structure methods are still not feasible for many systems of interest. As a result, empirical methods such as force fields (FF) have become an established…