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State-of-the-art reinforcement learning algorithms mostly rely on being allowed to directly interact with their environment to collect millions of observations. This makes it hard to transfer their success to industrial control problems,…
Robotics has made remarkable hardware strides-from DARPA's Urban and Robotics Challenges to the first humanoid-robot kickboxing tournament-yet commercial autonomy still lags behind progress in machine learning. A major bottleneck is…
This paper puts forward the vision of creating a library of neural-network-based models for power system simulations. Traditional numerical solvers struggle with the growing complexity of modern power systems, necessitating faster and more…
A growing challenge in research and industrial engineering applications is the need for repeated, systematic analysis of large-scale computational models, for example, patient-specific digital twins of diseased human organs: The analysis…
There are a number of different phenomena in the early universe that have to be studied numerically with lattice simulations. This paper presents a graphics processing unit (GPU) accelerated Python program called PyCOOL that solves the…
pyspeckit is a toolkit and library for spectroscopic analysis in Python. We describe the pyspeckit package and highlight some of its capabilities, such as interactively fitting a model to data, akin to the historically widely-used splot…
Simflowny is an open platform which automatically generates efficient parallel code of scientific dynamical models for different simulation frameworks. Here we present major upgrades on this software to support simultaneously a quite…
We present an open-source Python framework for NeuroEvolution Optimization with Reinforcement Learning (NEORL) developed at the Massachusetts Institute of Technology. NEORL offers a global optimization interface of state-of-the-art…
The reproducibility crisis in scientific computing constrains robotics research. Existing studies reveal that up to 70% of robotics algorithms cannot be reproduced by independent teams, while many others fail to reach deployment because…
We present PyNeuralFx, an open-source Python toolkit designed for research on neural audio effect modeling. The toolkit provides an intuitive framework and offers a comprehensive suite of features, including standardized implementation of…
Significant effort has been made to solve computationally expensive optimization problems in the past two decades, and various optimization methods incorporating surrogates into optimization have been proposed. However, most optimization…
Our open-source Python package BoFire combines Bayesian Optimization (BO) with other design of experiments (DoE) strategies focusing on developing and optimizing new chemistry. Previous BO implementations, for example as they exist in the…
This paper introduces pycvxset, a new Python package to manipulate and visualize convex sets. We support polytopes and ellipsoids, and provide user-friendly methods to perform a variety of set operations. For polytopes, pycvxset supports…
Geoff is a collection of Python packages that form a framework for automation of particle accelerator controls. With particle accelerator laboratories around the world researching machine learning techniques to improve accelerator…
We introduce pygrank, an open source Python package to define, run and evaluate node ranking algorithms. We provide object-oriented and extensively unit-tested algorithm components, such as graph filters, post-processors, measures,…
FeynRules is a Mathematica-based package which addresses the implementation of particle physics models, which are given in the form of a list of fields, parameters and a Lagrangian, into high-energy physics tools. It calculates the…
Design-space dimensionality reduction is essential to mitigate the cost of high-fidelity simulation-based optimization, especially when dealing with high-dimensional geometric parameterizations. Traditional linear techniques, such as…
Bayesian Networks (BNs) are used in various fields for modeling, prediction, and decision making. pgmpy is a python package that provides a collection of algorithms and tools to work with BNs and related models. It implements algorithms for…
PEPit is a Python package aiming at simplifying the access to worst-case analyses of a large family of first-order optimization methods possibly involving gradient, projection, proximal, or linear optimization oracles, along with their…
DeepInverse is an open-source PyTorch-based library for solving imaging inverse problems. The library covers all crucial steps in image reconstruction from the efficient implementation of forward operators (e.g., optics, MRI, tomography),…