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We introduce an open source python framework named PHS - Parallel Hyperparameter Search to enable hyperparameter optimization on numerous compute instances of any arbitrary python function. This is achieved with minimal modifications inside…

Machine Learning · Computer Science 2020-02-28 Peter Michael Habelitz , Janis Keuper

We introduce a new library named abess that implements a unified framework of best-subset selection for solving diverse machine learning problems, e.g., linear regression, classification, and principal component analysis. Particularly, the…

Machine Learning · Statistics 2024-04-02 Jin Zhu , Xueqin Wang , Liyuan Hu , Junhao Huang , Kangkang Jiang , Yanhang Zhang , Shiyun Lin , Junxian Zhu

The choices of hyperparameters have critical effects on the performance of machine learning models. In this paper, we present a general framework that is able to construct an adaptive optimizer, which automatically adjust the appropriate…

Machine Learning · Computer Science 2022-01-31 Huayuan Sun

Algorithm parameters, in particular hyperparameters of machine learning algorithms, can substantially impact their performance. To support users in determining well-performing hyperparameter configurations for their algorithms, datasets and…

Most machine learning algorithms are configured by one or several hyperparameters that must be carefully chosen and often considerably impact performance. To avoid a time consuming and unreproducible manual trial-and-error process to find…

Tuning machine learning models at scale, especially finding the right hyperparameter values, can be difficult and time-consuming. In addition to the computational effort required, this process also requires some ancillary efforts including…

Machine Learning · Computer Science 2019-11-07 Jiayi Liu , Samarth Tripathi , Unmesh Kurup , Mohak Shah

Machine-learning-based interatomic potentials enable accurate materials simulations on extended time- and lengthscales. ML potentials based on the Atomic Cluster Expansion (ACE) framework have recently shown promising performance for this…

Computational Physics · Physics 2024-08-02 Daniel F. Thomas du Toit , Yuxing Zhou , Volker L. Deringer

Machine learning algorithms have been used widely in various applications and areas. To fit a machine learning model into different problems, its hyper-parameters must be tuned. Selecting the best hyper-parameter configuration for machine…

Machine Learning · Computer Science 2022-10-06 Li Yang , Abdallah Shami

With the increase of machine learning usage by industries and scientific communities in a variety of tasks such as text mining, image recognition and self-driving cars, automatic setting of hyper-parameter in learning algorithms is a key…

Artificial Intelligence · Computer Science 2018-05-15 Juan Cruz Barsce , Jorge A. Palombarini , Ernesto C. Martínez

The performance of many machine learning models depends on their hyper-parameter settings. Bayesian Optimization has become a successful tool for hyper-parameter optimization of machine learning algorithms, which aims to identify optimal…

Machine Learning · Computer Science 2020-08-04 Lidan Wang , Franck Dernoncourt , Trung Bui

This paper presents hep-aid, a modular Python library conceived for utilising, implementing, and developing parameter scan algorithms. Originally devised for sample-efficient, multi-objective active search approaches in computationally…

High Energy Physics - Phenomenology · Physics 2024-12-24 Mauricio A. Diaz , Srinandan Dasmahapatra , Stefano Moretti

This work introduces ParAMS -- a versatile Python package that aims to make parameterization workflows in computational chemistry and physics more accessible, transparent and reproducible. We demonstrate how ParAMS facilitates the parameter…

Chemical Physics · Physics 2021-05-18 Leonid Komissarov , Robert Rüger , Matti Hellström , Toon Verstraelen

Optunity is a free software package dedicated to hyperparameter optimization. It contains various types of solvers, ranging from undirected methods to direct search, particle swarm and evolutionary optimization. The design focuses on ease…

Machine Learning · Computer Science 2014-12-04 Marc Claesen , Jaak Simm , Dusan Popovic , Yves Moreau , Bart De Moor

Machine learning is an important tool for analyzing high-dimension hyperspectral data; however, existing software solutions are either closed-source or inextensible research products. In this paper, we present cuvis.ai, an open-source and…

Machine Learning · Computer Science 2024-11-19 Nathaniel Hanson , Philip Manke , Simon Birkholz , Maximilian Mühlbauer , Rene Heine , Arnd Brandes

In the machine learning algorithms, the choice of the hyperparameter is often an art more than a science, requiring labor-intensive search with expert experience. Therefore, automation on hyperparameter optimization to exclude human…

Machine Learning · Computer Science 2020-12-08 Taehyeon Kim , Jaeyeon Ahn , Nakyil Kim , Seyoung Yun

The identification of performance-optimizing parameter settings is an important part of the development and application of algorithms. We describe an automatic framework for this algorithm configuration problem. More formally, we provide…

Artificial Intelligence · Computer Science 2014-01-16 Frank Hutter , Thomas Stuetzle , Kevin Leyton-Brown , Holger H. Hoos

Machine learning has been making great success in many application areas. However, for the non-expert practitioners, it is always very challenging to address a machine learning task successfully and efficiently. Finding the optimal machine…

Machine Learning · Computer Science 2025-08-08 Guanghui Zhu , Xin Fang , Feng Cheng , Lei Wang , Wenzhong Chen , Chunfeng Yuan , Yihua Huang

We introduce MOSAIC, a Python program for machine learning models. Our framework is developed with in mind accelerating machine learning studies through making implementing and testing arbitrary network architectures and data sets simpler,…

Machine Learning · Computer Science 2023-01-31 Mattéo Papin , Yann Beaujeault-Taudière , Frédéric Magniette

Performance of machine learning algorithms depends critically on identifying a good set of hyperparameters. While recent approaches use Bayesian optimization to adaptively select configurations, we focus on speeding up random search through…

Machine Learning · Computer Science 2018-06-20 Lisha Li , Kevin Jamieson , Giulia DeSalvo , Afshin Rostamizadeh , Ameet Talwalkar

Tuning hyperparameters for machine learning algorithms is a tedious task, one that is typically done manually. To enable automated hyperparameter tuning, recent works have started to use techniques based on Bayesian optimization. However,…

Machine Learning · Computer Science 2020-05-26 Sandeep Singh Sandha , Mohit Aggarwal , Igor Fedorov , Mani Srivastava
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