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Training and Hyperparameter Optimization (HPO) of deep learning-based AI models are often compute resource intensive and calls for the use of large-scale distributed resources as well as scalable and resource efficient hyperparameter search…

Data Analysis, Statistics and Probability · Physics 2023-03-28 Eric Wulff , Maria Girone , David Southwick , Juan Pablo García Amboage , Eduard Cuba

Modern learning models are characterized by large hyperparameter spaces and long training times. These properties, coupled with the rise of parallel computing and the growing demand to productionize machine learning workloads, motivate the…

Machine Learning · Computer Science 2020-03-17 Liam Li , Kevin Jamieson , Afshin Rostamizadeh , Ekaterina Gonina , Moritz Hardt , Benjamin Recht , Ameet Talwalkar

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…

The plethora of complex artificial intelligence (AI) algorithms and available high performance computing (HPC) power stimulates the expeditious development of AI components with heterogeneous designs. Consequently, the need for cross-stack…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-03-16 Zhixiang Ren , Yongheng Liu , Tianhui Shi , Lei Xie , Yue Zhou , Jidong Zhai , Youhui Zhang , Yunquan Zhang , Wenguang Chen

Hyperparameter optimization (HPO) and neural architecture search (NAS) are methods of choice to obtain the best-in-class machine learning models, but in practice they can be costly to run. When models are trained on large datasets, tuning…

Machine Learning · Computer Science 2023-03-09 Ondrej Bohdal , Lukas Balles , Martin Wistuba , Beyza Ermis , Cédric Archambeau , Giovanni Zappella

We present two novel hyperparameter optimization strategies for optimization of deep learning models with a modular architecture constructed of multiple subnetworks. As complex networks with multiple subnetworks become more frequently…

Machine Learning · Computer Science 2022-02-25 Alex H. Treacher , Albert Montillo

On High-Performance Computing (HPC) systems, several hyperparameter configurations can be evaluated in parallel to speed up the Hyperparameter Optimization (HPO) process. State-of-the-art HPO methods follow a bandit-based approach and build…

Machine Learning · Computer Science 2025-11-03 Marcel Aach , Rakesh Sarma , Helmut Neukirchen , Morris Riedel , Andreas Lintermann

Continuing advances in neural interfaces have enabled simultaneous monitoring of spiking activity from hundreds to thousands of neurons. To interpret these large-scale data, several methods have been proposed to infer latent dynamic…

Machine Learning · Computer Science 2019-08-23 Mohammad Reza Keshtkaran , Chethan Pandarinath

The applications being developed within the U.S. Exascale Computing Project (ECP) to run on imminent Exascale computers will generate scientific results with unprecedented fidelity and record turn-around time. Many of these codes are based…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-08-04 Lipeng Wan , Axel Huebl , Junmin Gu , Franz Poeschel , Ana Gainaru , Ruonan Wang , Jieyang Chen , Xin Liang , Dmitry Ganyushin , Todd Munson , Ian Foster , Jean-Luc Vay , Norbert Podhorszki , Kesheng Wu , Scott Klasky

Machine learning algorithms have made remarkable achievements in the field of artificial intelligence. However, most machine learning algorithms are sensitive to the hyper-parameters. Manually optimizing the hyper-parameters is a common…

Machine Learning · Computer Science 2020-03-05 Bozhou Chen , Kaixin Zhang , Longshen Ou , Chenmin Ba , Hongzhi Wang , Chunnan Wang

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

Hyperparameters are a critical factor in reliably training well-performing reinforcement learning (RL) agents. Unfortunately, developing and evaluating automated approaches for tuning such hyperparameters is both costly and time-consuming.…

Retrieval-augmented generation (RAG) systems expose numerous design choices spanning query rewriting, chunking, retrieval depth, reranking, and context compression. In practice, these choices are often configured through heuristics,…

Artificial Intelligence · Computer Science 2026-05-29 Zhen Chen , Yibing Liu , Weihao Xie , Yu Liang , Peilin Chen , Shiqi Wang

Optimizing Retrieval-Augmented Generation (RAG) configurations for specific tasks is a complex and resource-intensive challenge. Motivated by this challenge, frameworks for RAG hyper-parameter optimization (HPO) have recently emerged, yet…

This paper proposes the first-ever algorithmic framework for tuning hyper-parameters of stochastic optimization algorithm based on reinforcement learning. Hyper-parameters impose significant influences on the performance of stochastic…

Machine Learning · Computer Science 2020-03-11 Haotian Zhang , Jianyong Sun , Zongben Xu

Computational chemistry has become an important tool to predict and understand molecular properties and reactions. Even though recent years have seen a significant growth in new algorithms and computational methods that speed up quantum…

Chemical Physics · Physics 2023-07-26 Albert Thie , Maximilian F. S. J. Menger , Shirin Faraji

AI accelerator processing capabilities and memory constraints largely dictate the scale in which machine learning workloads (e.g., training and inference) can be executed within a desirable time frame. Training a state of the art,…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-10-12 Michael Benington , Leo Phan , Chris Pierre Paul , Evan Shoemaker , Priyanka Ranade , Torstein Collett , Grant Hodgson Perez , Christopher Krieger

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

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
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