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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:…

机器学习 · 计算机科学 2025-07-10 Wenjie Du , Yiyuan Yang , Linglong Qian , Jun Wang , Qingsong Wen

Bayesian Optimization (BO) is a method for globally optimizing black-box functions. While BO has been successfully applied to many scenarios, developing effective BO algorithms that scale to functions with high-dimensional domains is still…

机器学习 · 计算机科学 2024-02-13 Yihang Shen , Carl Kingsford

Many expensive black-box optimisation problems are sensitive to their inputs. In these problems it makes more sense to locate a region of good designs, than a single-possibly fragile-optimal design. Expensive black-box functions can be…

机器学习 · 计算机科学 2021-12-16 Nicholas D. Sanders , Richard M. Everson , Jonathan E. Fieldsend , Alma A. M. Rahat

While high-capacity AI models have advanced state-of-the-art performance, their practical deployment is often hindered by high inference costs, environmental impact, and a "one-size-fits-all" approach that ignores varying sample complexity.…

计算机视觉与模式识别 · 计算机科学 2026-05-19 Turkoglu Mikael , Bary Tim , Thielens Vincent , Dausort Manon , Macq Benoît

PyODDS is an end-to end Python system for outlier detection with database support. PyODDS provides outlier detection algorithms which meet the demands for users in different fields, w/wo data science or machine learning background. PyODDS…

机器学习 · 计算机科学 2019-10-14 Yuening Li , Daochen Zha , Na Zou , Xia Hu

Generating adversarial examples in a black-box setting retains a significant challenge with vast practical application prospects. In particular, existing black-box attacks suffer from the need for excessive queries, as it is non-trivial to…

计算机视觉与模式识别 · 计算机科学 2020-05-11 Jie Li , Rongrong Ji , Hong Liu , Jianzhuang Liu , Bineng Zhong , Cheng Deng , Qi Tian

This work studies constrained blackbox optimization problems that cannot be solved in reasonable time due to prohibitive computational costs. This challenge is especially prevalent in industrial applications, where blackbox evaluations are…

最优化与控制 · 数学 2026-01-20 Stéphane Alarie , Charles Audet , Miguel Diago , Sébastien Le Digabel , Xavier Lebeuf

Because the choice and tuning of the optimizer affects the speed, and ultimately the performance of deep learning, there is significant past and recent research in this area. Yet, perhaps surprisingly, there is no generally agreed-upon…

机器学习 · 计算机科学 2019-03-14 Frank Schneider , Lukas Balles , Philipp Hennig

Bayesian optimization has become a successful tool for hyperparameter optimization of machine learning algorithms, such as support vector machines or deep neural networks. Despite its success, for large datasets, training and validating a…

机器学习 · 计算机科学 2017-03-08 Aaron Klein , Stefan Falkner , Simon Bartels , Philipp Hennig , Frank Hutter

This paper describes PyOED, a highly extensible scientific package that enables developing and testing model-constrained optimal experimental design (OED) for inverse problems. Specifically, PyOED aims to be a comprehensive Python toolkit…

数学软件 · 计算机科学 2023-12-20 Abhijit Chowdhary , Shady E. Ahmed , Ahmed Attia

NUBO, short for Newcastle University Bayesian Optimisation, is a Bayesian optimization framework for the optimization of expensive-to-evaluate black-box functions, such as physical experiments and computer simulators. Bayesian optimization…

机器学习 · 计算机科学 2026-04-29 Mike Diessner , Kevin J. Wilson , Richard D. Whalley

Streaming anomaly detection requires algorithms that operate under strict constraints: bounded memory, single-pass processing, and constant-time complexity. We present PySAD, a comprehensive Python framework addressing these challenges…

机器学习 · 计算机科学 2025-05-27 Selim F. Yilmaz , Suleyman S. Kozat

PyOD is an open-source Python toolbox for performing scalable outlier detection on multivariate data. Uniquely, it provides access to a wide range of outlier detection algorithms, including established outlier ensembles and more recent…

机器学习 · 计算机科学 2019-06-12 Yue Zhao , Zain Nasrullah , Zheng Li

Outlier detection is an important task for various data mining applications. Current outlier detection techniques are often manually designed for specific domains, requiring large human efforts of database setup, algorithm selection, and…

机器学习 · 计算机科学 2020-03-13 Yuening Li , Daochen Zha , Praveen Kumar Venugopal , Na Zou , Xia Hu

Automated data-driven modeling, the process of directly discovering the governing equations of a system from data, is increasingly being used across the scientific community. PySINDy is a Python package that provides tools for applying the…

Identifying optimal values for a high-dimensional set of hyperparameters is a problem that has received growing attention given its importance to large-scale machine learning applications such as neural architecture search. Recently…

Bayesian optimization (BO) is a powerful approach for seeking the global optimum of expensive black-box functions and has proven successful for fine tuning hyper-parameters of machine learning models. However, BO is practically limited to…

机器学习 · 统计学 2020-09-28 Riccardo Moriconi , Marc P. Deisenroth , K. S. Sesh Kumar

Pythonic Black-box Electronic Structure Tool (PyBEST) represents a fully-fledged modern electronic structure software package developed at Nicolaus Copernicus University in Toru\'n. The package provides an efficient and reliable platform…

Bayesian Optimization is the state of the art technique for the optimization of black boxes, i.e., functions where we do not have access to their analytical expression nor its gradients, they are expensive to evaluate and its evaluation is…

人工智能 · 计算机科学 2021-01-13 Eduardo C. Garrido Merchán , Luis C. Jariego Pérez

Optimization on manifolds is a class of methods for optimization of an objective function, subject to constraints which are smooth, in the sense that the set of points which satisfy the constraints admits the structure of a differentiable…

数学软件 · 计算机科学 2020-09-03 James Townsend , Niklas Koep , Sebastian Weichwald