相关论文: PyMilo: A Python Library for ML I/O

PyMOLfold is a flexible and open-source plugin designed to seamlessly integrate AI-based protein structure prediction and visualization within the widely used PyMOL molecular graphics system. By leveraging state-of-the-art protein folding…

We present OnPrem$.$LLM, a Python-based toolkit for applying large language models (LLMs) to sensitive, non-public data in offline or restricted environments. The system is designed for privacy-preserving use cases and provides prebuilt…

We present the first public release (v0.1) of the open-source GADGET Dataframe Library: gadfly. The aim of this package is to leverage the capabilities of the broader python scientific computing ecosystem by providing tools for analyzing…

Pre-trained language models and other generative models have revolutionized NLP and beyond. However, these models tend to reproduce undesirable biases present in their training data. Also, they may overlook patterns that are important but…

We present MXtalTools, a flexible Python package for the data-driven modelling of molecular crystals, facilitating machine learning studies of the molecular solid state. MXtalTools comprises several classes of utilities: (1) synthesis,…

We present Qiskit Machine Learning (ML), a high-level Python library that combines elements of quantum computing with traditional machine learning. The API abstracts Qiskit's primitives to facilitate interactions with classical simulators…

Scientific research relies on well-structured, standardized data; however, much of it is stored in formats such as free-text lab notebooks, non-standardized spreadsheets, or data repositories. This lack of structure challenges…

Model checking is a fundamental technique for verifying finite state concurrent systems. Traditionally, model designs were initially created to facilitate the application of model checking. This process, representative of Model Driven…

We introduce \texttt{pycobra}, a Python library devoted to ensemble learning (regression and classification) and visualisation. Its main assets are the implementation of several ensemble learning algorithms, a flexible and generic interface…

metric-learn is an open source Python package implementing supervised and weakly-supervised distance metric learning algorithms. As part of scikit-learn-contrib, it provides a unified interface compatible with scikit-learn which allows to…

LIBS2ML is a library based on scalable second order learning algorithms for solving large-scale problems, i.e., big data problems in machine learning. LIBS2ML has been developed using MEX files, i.e., C++ with MATLAB/Octave interface to…

\texttt{ml\_edm} is a Python 3 library, designed for early decision making of any learning tasks involving temporal/sequential data. The package is also modular, providing researchers an easy way to implement their own triggering strategy…

Machine learning is revolutionizing image-based diagnostics in pathology and radiology. ML models have shown promising results in research settings, but their lack of interoperability has been a major barrier for clinical integration and…

In this paper, we illustrate how to enhance an existing state-of-the-art modeling language and tool for the Internet of Things (IoT), called ThingML, to support machine learning on the modeling level. To this aim, we extend the…

Apache Spark is a popular open-source platform for large-scale data processing that is well-suited for iterative machine learning tasks. In this paper we present MLlib, Spark's open-source distributed machine learning library. MLlib…

We present PackLib^2, the first fully integrated benchmark library for multi-dimensional packing instances. PackLib^2 combines a systematic collection of all benchmark instances from previous literature with a well-organized set of new and…

Library migration is a common but error-prone task in software development. Developers may need to replace one library with another due to reasons like changing requirements or licensing changes. Migration typically entails updating and…

The increasing complexity and scale of machine learning (ML) has led to the need for more efficient collaboration among multiple teams. For example, when a research team invents a new architecture like "ResNet," it is desirable for multiple…

Creating and maintaining computer readable geometries for use in Monte Carlo Radiation Transport (MCRT) simulations is an error-prone and time-consuming task. Simulating a system often requires geometry from different sources and modelling…

The task of developing a machine learning (ML) model for a particular problem is inherently open-ended, and there is an unbounded set of possible solutions. Steps of the ML development pipeline, such as feature engineering, loss function…