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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…

This paper introduces HyperNOs, a PyTorch library designed to streamline and automate the process of exploring neural operators, with a special focus on hyperparameter optimization for comprehensive and exhaustive exploration. Indeed,…

Machine Learning · Computer Science 2026-02-09 Massimiliano Ghiotto

Running complex sets of machine learning experiments is challenging and time-consuming due to the lack of a unified framework. This leaves researchers forced to spend time implementing necessary features such as parallelization, caching,…

Machine Learning · Computer Science 2023-11-22 Zac Pullar-Strecker , Xinglong Chang , Liam Brydon , Ioannis Ziogas , Katharina Dost , Jörg Wicker

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

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

Machine learning solutions are very popular in the field of chemoinformatics, where they have numerous applications, such as novel drug discovery or molecular property prediction. Molecular fingerprints are algorithms commonly used for…

Quantitative Methods · Quantitative Biology 2024-04-01 Michał Szafarczyk , Piotr Ludynia , Przemysław Kukla

Multi-agent systems provide a powerful way to extend large language models (LLMs) by decomposing a complex task into specialized subtasks handled by different agents. However, their performance is often hindered by error propagation,…

Machine Learning · Computer Science 2026-05-14 Zheng Wang , Yuang Liu , Yangkai Ding

ParaMonte::Python (standing for Parallel Monte Carlo in Python) is a serial and MPI-parallelized library of (Markov Chain) Monte Carlo (MCMC) routines for sampling mathematical objective functions, in particular, the posterior distributions…

Mathematical Software · Computer Science 2020-10-05 Amir Shahmoradi , Fatemeh Bagheri , Joshua Alexander Osborne

As Graph Neural Networks (GNNs) become popular, libraries like PyTorch-Geometric (PyG) and Deep Graph Library (DGL) are proposed; these libraries have emerged as the de facto standard for implementing GNNs because they provide…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-02-29 Yi-Chien Lin , Yuyang Chen , Sameh Gobriel , Nilesh Jain , Gopi Krishna Jha , Viktor Prasanna

Most of the machine learning models have associated hyper-parameters along with their parameters. While the algorithm gives the solution for parameters, its utility for model performance is highly dependent on the choice of hyperparameters.…

Machine Learning · Computer Science 2022-01-19 Shashank Shekhar , Adesh Bansode , Asif Salim

Modern machine learning algorithms are increasingly computationally demanding, requiring specialized hardware and distributed computation to achieve high performance in a reasonable time frame. Many hyperparameter search algorithms have…

Machine Learning · Computer Science 2018-07-16 Richard Liaw , Eric Liang , Robert Nishihara , Philipp Moritz , Joseph E. Gonzalez , Ion Stoica

In recent years, leveraging parallel and distributed computational resources has become essential to solve problems of high computational cost. Bayesian optimization (BO) has shown attractive results in those expensive-to-evaluate problems…

Machine Learning · Statistics 2020-06-25 Masahiro Nomura

Machine learning applications often require hyperparameter tuning. The hyperparameters usually drive both the efficiency of the model training process and the resulting model quality. For hyperparameter tuning, machine learning algorithms…

Machine Learning · Computer Science 2018-08-06 Patrick Koch , Oleg Golovidov , Steven Gardner , Brett Wujek , Joshua Griffin , Yan Xu

While modern parallel computing systems offer high performance, utilizing these powerful computing resources to the highest possible extent demands advanced knowledge of various hardware architectures and parallel programming models.…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-05-03 Suejb Memeti , Sabri Pllana , Alecio Binotto , Joanna Kolodziej , Ivona Brandic

Instruction-following is particularly crucial for large language models (LLMs) to support diverse user requests. While existing work has made progress in aligning LLMs with human preferences, evaluating their capabilities on instruction…

Artificial Intelligence · Computer Science 2024-07-08 Zihui Gu , Xingwu Sun , Fengzong Lian , Zhanhui Kang , Cheng-Zhong Xu , Ju Fan

Machine learning (ML) methods offer a wide range of configurable hyperparameters that have a significant influence on their performance. While accuracy is a commonly used performance objective, in many settings, it is not sufficient.…

Machine Learning · Computer Science 2023-09-27 Romain Egele , Tyler Chang , Yixuan Sun , Venkatram Vishwanath , Prasanna Balaprakash

In parallel with the continuously increasing parameter space dimensionality, search and optimization algorithms should support distributed parameter evaluations to reduce cumulative runtime. Intel's neuromorphic optimization library,…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-07-10 Shay Snyder , Derek Gobin , Victoria Clerico , Sumedh R. Risbud , Maryam Parsa

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

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…

Automatically tuning parallel compute kernels allows libraries and frameworks to achieve performance on a wide range of hardware, however these techniques are typically focused on finding optimal kernel parameters for particular input sizes…

Performance · Computer Science 2020-09-01 John Lawson
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