Related papers: Torch-Choice: A PyTorch Package for Large-Scale Ch…

In this work, we present a general purpose deep neural network package for representing energies, forces, dipole moments, and polarizabilities of atomistic systems. This so-called recursively embedded atom neural network model takes both…

DORAEMON is an open-source PyTorch library that unifies visual object modeling and representation learning across diverse scales. A single YAML-driven workflow covers classification, retrieval and metric learning; more than 1000 pretrained…

Machine learning has emerged as a powerful solution to the modern challenges in accelerator physics. However, the limited availability of beam time, the computational cost of simulations, and the high-dimensionality of optimisation problems…

With deep learning models rapidly growing in size, systems-level solutions for large-model training are required. We present Amazon SageMaker model parallelism, a software library that integrates with PyTorch, and enables easy training of…

Continuous-depth learning has recently emerged as a novel perspective on deep learning, improving performance in tasks related to dynamical systems and density estimation. Core to these approaches is the neural differential equation, whose…

Existing open-source modeling frameworks dedicated to energy systems optimization typically utilize (mixed-integer) linear programming ((MI)LP) formulations, which lack modeling freedom for technical system design and operation. We present…

In this paper, we present resolvent4py, a parallel Python package for the analysis, model reduction and control of large-scale linear systems with millions or billions of degrees of freedom. This package provides the user with a friendly…

Data-intensive applications impact many domains, and their steadily increasing size and complexity demands high-performance, highly usable environments. We integrate a set of ideas developed in various data science and data engineering…

$\textit{Pymc-learn}$ is a Python package providing a variety of state-of-the-art probabilistic models for supervised and unsupervised machine learning. It is inspired by $\textit{scikit-learn}$ and focuses on bringing probabilistic machine…

With ever-increasing volume and heterogeneity of data, advent of new specialized compute engines, and demand for complex use cases, large-scale data systems require a performant catalog system that can satisfy diverse needs. We argue that…

Stochastic gradient-boosted decision trees are widely employed for multivariate classification and regression tasks. This paper presents a speed-optimized and cache-friendly implementation for multivariate classification called FastBDT.…

We implemented a Soft Decision Tree (SDT) and a Short-term Memory Soft Decision Tree (SM-SDT) using PyTorch. The methods were extensively tested on simulated and clinical datasets. The SDT was visualized to demonstrate the potential for its…

The availability of open-source software is playing a remarkable role in the popularization of speech recognition and deep learning. Kaldi, for instance, is nowadays an established framework used to develop state-of-the-art speech…

In this work, we present scikit-fingerprints, a Python package for computation of molecular fingerprints for applications in chemoinformatics. Our library offers an industry-standard scikit-learn interface, allowing intuitive usage and easy…

We introduce NetworKit, an open-source software package for analyzing the structure of large complex networks. Appropriate algorithmic solutions are required to handle increasingly common large graph data sets containing up to billions of…

"PyTorch, Explain!" is a Python module integrating a variety of state-of-the-art approaches to provide logic explanations from neural networks. This package focuses on bringing these methods to non-specialists. It has minimal dependencies…

This paper describes PlinyCompute, a system for development of high-performance, data-intensive, distributed computing tools and libraries. In the large, PlinyCompute presents the programmer with a very high-level, declarative interface,…

This paper presents LibMTL, an open-source Python library built on PyTorch, which provides a unified, comprehensive, reproducible, and extensible implementation framework for Multi-Task Learning (MTL). LibMTL considers different settings…

PyPOTS is an open-source Python library dedicated to data mining and analysis on multivariate partially-observed time series with missing values. Particularly, it provides easy access to diverse algorithms categorized into five tasks:…

Accurate and rapid prediction of wildfire trends is crucial for effective management and mitigation. However, the stochastic nature of fire propagation poses significant challenges in developing reliable simulators. In this paper, we…