Related papers: MOLPIPx: an end-to-end differentiable package for …
Most particle induced X-ray emission (PIXE) data analysis codes are not focused on handling multilayered samples. We have developed an open-source library called "LibCPIXE", for PIXE data analysis. It is written in standard C and implements…
Particle-in-cell methods couple mesh-based methods for the solution of continuum mechanics problems, with the ability to advect and evolve particles. They have a long history and many applications in scientific computing. However, they have…
We introduce DiffOpt.jl, a Julia library to differentiate through the solution of optimization problems with respect to arbitrary parameters present in the objective and/or constraints. The library builds upon MathOptInterface, thus…
Recently proposed modifications of the standard particle-in-cell (PIC) method resolve long-standing limitations such as exact preservation of physically conserved quantities and unbiased ensemble down-sampling. Such advances pave the way…
Matrix Distributed Processing (MDP) is a C++ library for fast development of efficient parallel algorithms. It constitues the core of FermiQCD. MDP enables programmers to focus on algorithms, while parallelization is dealt with…
Panoptic segmentation is a key enabler for robotic perception, as it unifies semantic understanding with object-level reasoning. However, the increasing complexity of state-of-the-art models makes them unsuitable for deployment on…
Building differentiable simulations of physical processes has recently received an increasing amount of attention. Specifically, some efforts develop differentiable robotic physics engines motivated by the computational benefits of merging…
JuMP is an open-source modeling language that allows users to express a wide range of optimization problems (linear, mixed-integer, quadratic, conic-quadratic, semidefinite, and nonlinear) in a high-level, algebraic syntax. JuMP takes…
Robust POMDPs extend classical POMDPs to incorporate model uncertainty using so-called uncertainty sets on the transition and observation functions, effectively defining ranges of probabilities. Policies for robust POMDPs must be (1)…
A new class of implicit-explicit (IMEX) methods combined with a p-adaptive mixed finite element formulation is proposed to simulate the diffusion of reacting species. Hierarchical polynomial functions are used to construct an…
This paper introduces HPIPM, a high-performance framework for quadratic programming (QP), designed to provide building blocks to efficiently and reliably solve model predictive control problems. HPIPM currently supports three QP types, and…
Parameter estimation in inverse problems involving partial differential equations (PDEs) underpins modeling across scientific disciplines, especially when parameters vary in space or time. Physics-informed Machine Learning (PhiML)…
Hybrid modelling enhances the accuracy and predictive capability of dynamic models by integrating first principles with data-driven methods, effectively mitigating epistemic uncertainties inherent in mechanistic approaches. However, hybrid…
Open-source process mining provides many algorithms for the analysis of event data which could be used to analyze mainstream processes (e.g., O2C, P2P, CRM). However, compared to commercial tools, they lack the performance and struggle to…
Machine learning interatomic potentials (MLIPs) are one of the main techniques in the materials science toolbox, able to bridge ab initio accuracy with the computational efficiency of classical force fields. This allows simulations ranging…
Robotic systems are often complex and depend on the integration of a large number of software components. One important component in robotic systems provides the calculation of forward kinematics, which is required by both motion-planning…
POLEVAL provides a software toolbox for collaborative, persistent and reproducible analysis of XPS experiments. It allows to treat, analyse and visualise the results of an extended experimental campaign in a single python notebook in a…
Today's fast linear algebra and numerical optimization tools have pushed the frontier of model predictive control (MPC) forward, to the efficient control of highly nonlinear and hybrid systems. The field of hybrid MPC has demonstrated that…
In extreme learning machines (ELM) the hidden-layer coefficients are randomly set and fixed, while the output-layer coefficients of the neural network are computed by a least squares method. The randomly-assigned coefficients in ELM are…
We describe a parallelised version of the MOLDY molecular dynamics program. This Fortran code is aimed at systems which may be described by short-range potentials and specifically those which may be addressed with the embedded atom method.…