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As data science and machine learning methods are taking on an increasingly important role in the materials research community, there is a need for the development of machine learning software tools that are easy to use (even for nonexperts…

We present \texttt{secml}, an open-source Python library for secure and explainable machine learning. It implements the most popular attacks against machine learning, including test-time evasion attacks to generate adversarial examples…

机器学习 · 计算机科学 2022-05-16 Maura Pintor , Luca Demetrio , Angelo Sotgiu , Marco Melis , Ambra Demontis , Battista Biggio

YAMLE: Yet Another Machine Learning Environment is an open-source framework that facilitates rapid prototyping and experimentation with machine learning (ML) models and methods. The key motivation is to reduce repetitive work when…

机器学习 · 计算机科学 2024-02-12 Martin Ferianc , Miguel Rodrigues

We present NiceWebRL, a research tool that enables researchers to use machine reinforcement learning (RL) environments for online human subject experiments. NiceWebRL is a Python library that allows any Jax-based environment to be…

人工智能 · 计算机科学 2025-08-22 Wilka Carvalho , Vikram Goddla , Ishaan Sinha , Hoon Shin , Kunal Jha

River is a machine learning library for dynamic data streams and continual learning. It provides multiple state-of-the-art learning methods, data generators/transformers, performance metrics and evaluators for different stream learning…

OpenML is an online platform for open science collaboration in machine learning, used to share datasets and results of machine learning experiments. In this paper we introduce OpenML-Python, a client API for Python, opening up the OpenML…

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…

Recently, there has been significant interest in applying machine learning (ML) techniques to X-ray scattering experiments, which proves to be a valuable tool for enhancing research that involves large or rapidly generated datasets. ML…

The lattice Boltzmann method (LBM) has emerged as a prominent technique for solving fluid dynamics problems due to its algorithmic potential for computational scalability. We introduce XLB library, a Python-based differentiable LBM library…

计算物理 · 物理学 2024-04-03 Mohammadmehdi Ataei , Hesam Salehipour

Model-based reinforcement learning is a compelling framework for data-efficient learning of agents that interact with the world. This family of algorithms has many subcomponents that need to be carefully selected and tuned. As a result the…

人工智能 · 计算机科学 2021-04-21 Luis Pineda , Brandon Amos , Amy Zhang , Nathan O. Lambert , Roberto Calandra

We present the Open MatSci ML Toolkit: a flexible, self-contained, and scalable Python-based framework to apply deep learning models and methods on scientific data with a specific focus on materials science and the OpenCatalyst Dataset. Our…

机器学习 · 计算机科学 2023-09-01 Santiago Miret , Kin Long Kelvin Lee , Carmelo Gonzales , Marcel Nassar , Matthew Spellings

Multi-agent reinforcement learning (MARL) research is inherently computationally expensive and it is often difficult to obtain a sufficient number of experiment samples to test hypotheses and make robust statistical claims. Furthermore,…

jinns is an open-source Python library for physics-informed neural networks, built to tackle both forward and inverse problems, as well as meta-model learning. Rooted in the JAX ecosystem, it provides a versatile framework for efficiently…

机器学习 · 统计学 2024-12-19 Hugo Gangloff , Nicolas Jouvin

As machine learning (ML) is increasingly integrated into our everyday Web experience, there is a call for transparent and explainable web-based ML. However, existing explainability techniques often require dedicated backend servers, which…

机器学习 · 计算机科学 2023-03-17 Zijie J. Wang , Duen Horng Chau

We introduce JAX-LaB, a differentiable, Python-based Lattice Boltzmann simulation library designed for modeling multiphase and multiphysics fluid dynamics problems in hydrologic, geologic, and engineered porous media settings. The library…

计算物理 · 物理学 2025-11-18 Piyush Pradhan , Pierre Gentine , Shaina Kelly

Machine learning (ML) algorithms are showing a growing trend in helping the scientific communities across different disciplines and institutions to address large and diverse data problems. However, many available ML tools are…

SOL is an open-source library for scalable online learning algorithms, and is particularly suitable for learning with high-dimensional data. The library provides a family of regular and sparse online learning algorithms for large-scale…

机器学习 · 计算机科学 2016-10-31 Yue Wu , Steven C. H. Hoi , Chenghao Liu , Jing Lu , Doyen Sahoo , Nenghai Yu

Motivation: Building and iterating machine learning models is often a resource-intensive process. In biomedical research, scientific codebases can lack scalability and are not easily transferable to work beyond what they were intended.…

机器学习 · 计算机科学 2025-04-03 Khoa A. Tran , John V. Pearson , Nicola Waddell

PiML (read $\pi$-ML, /`pai`em`el/) is an integrated and open-access Python toolbox for interpretable machine learning model development and model diagnostics. It is designed with machine learning workflows in both low-code and high-code…

机器学习 · 计算机科学 2023-12-21 Agus Sudjianto , Aijun Zhang , Zebin Yang , Yu Su , Ningzhou Zeng

Continual Learning is an important and challenging problem in machine learning, where models must adapt to a continuous stream of new data without forgetting previously acquired knowledge. While existing frameworks are built on PyTorch, the…

机器学习 · 计算机科学 2023-04-24 Nikolaos Dimitriadis , Francois Fleuret , Pascal Frossard
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