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Automated Machine Learning with ensembling (or AutoML with ensembling) seeks to automatically build ensembles of Deep Neural Networks (DNNs) to achieve qualitative predictions. Ensemble of DNNs are well known to avoid over-fitting but they…

Machine Learning · Computer Science 2022-08-31 Pierrick Pochelu , Serge G. Petiton , Bruno Conche

In this paper, we present a cross-entropy optimization method for hyperparameter optimization in stochastic gradient-based approaches to train deep neural networks. The value of a hyperparameter of a learning algorithm often has great…

Machine Learning · Computer Science 2024-09-17 Kevin Li , Fulu Li

Neural Networks (NN) has been used in many areas with great success. When a NN's structure (Model) is given, during the training steps, the parameters of the model are determined using an appropriate criterion and an optimization algorithm…

Machine Learning · Computer Science 2024-08-15 Ali Mohammad-Djafari , Ning Chu , Li Wang , Caifang Cai , Liang Yu

GPUs have been favored for training deep learning models due to their highly parallelized architecture. As a result, most studies on training optimization focus on GPUs. There is often a trade-off, however, between cost and efficiency when…

Neural Networks (NNs) are effective models for refining the accuracy of molecular dynamics, opening up new fields of application. Typically trained bottom-up, atomistic NN potential models can reach first-principle accuracy, while…

Chemical Physics · Physics 2025-05-19 Paul Fuchs , Stephan Thaler , Sebastien Röcken , Julija Zavadlav

Overparameterized models have proven to be powerful tools for solving various machine learning tasks. However, overparameterization often leads to a substantial increase in computational and memory costs, which in turn requires extensive…

Machine Learning · Computer Science 2024-03-13 Soo Min Kwon , Zekai Zhang , Dogyoon Song , Laura Balzano , Qing Qu

In this work, we propose a new training method for finding minimum weight norm solutions in over-parameterized neural networks (NNs). This method seeks to improve training speed and generalization performance by framing NN training as a…

Machine Learning · Statistics 2018-06-22 Yamini Bansal , Madhu Advani , David D Cox , Andrew M Saxe

We propose a novel algorithm for combined unit and layer pruning of deep neural networks that functions during training and without requiring a pre-trained network to apply. Our algorithm optimally trades-off learning accuracy and pruning…

Machine Learning · Computer Science 2025-07-17 Valentin Frank Ingmar Guenter , Athanasios Sideris

Recently, the study of graph neural network (GNN) has attracted much attention and achieved promising performance in molecular property prediction. Most GNNs for molecular property prediction are proposed based on the idea of learning the…

Machine Learning · Computer Science 2021-04-15 Yingfang Yuan , Wenjun Wang , Wei Pang

Deep learning has become very popular for tasks such as predictive modeling and pattern recognition in handling big data. Deep learning is a powerful machine learning method that extracts lower level features and feeds them forward for the…

Machine Learning · Computer Science 2018-03-07 Steven Young , Tamer Abdou , Ayse Bener

The customizable nature of deep learning models have allowed them to be successful predictors in various disciplines. These models are often trained with respect to thousands or millions of instances for complicated problems, but the…

Machine Learning · Computer Science 2019-12-24 Drimik Roy Chowdhury , Muhammad Firmansyah Kasim

Deep learning models are widely used across computer vision and other domains. When working on the model induction, selecting the right architecture for a given dataset often relies on repetitive trial-and-error procedures. This procedure…

Machine Learning · Computer Science 2026-01-06 Yen-Chia Chen , Hsing-Kuo Pao , Hanjuan Huang

Performance optimization of deep learning models is conducted either manually or through automatic architecture search, or a combination of both. On the other hand, their performance strongly depends on the target hardware and how…

Machine Learning · Computer Science 2022-09-23 Vahid Partovi Nia , Alireza Ghaffari , Mahdi Zolnouri , Yvon Savaria

Inferring parameters of macro-kinetic growth models, typically represented by Ordinary Differential Equations (ODE), from the experimental data is a crucial step in bioprocess engineering. Conventionally, estimates of the parameters are…

Machine Learning · Computer Science 2023-12-07 Maxim Borisyak , Stefan Born , Peter Neubauer , Mariano Nicolas Cruz-Bournazou

Ensembles of Deep Neural Networks (DNNs) have achieved qualitative predictions but they are computing and memory intensive. Therefore, the demand is growing to make them answer a heavy workload of requests with available computational…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-08-31 Pierrick Pochelu , Serge G. Petiton , Bruno Conche

Deep learning techniques play an increasingly important role in industrial and research environments due to their outstanding results. However, the large number of hyper-parameters to be set may lead to errors if they are set manually. The…

Machine Learning · Computer Science 2020-06-04 Michele Fraccaroli , Evelina Lamma , Fabrizio Riguzzi

In comparison to classical shallow representation learning techniques, deep neural networks have achieved superior performance in nearly every application benchmark. But despite their clear empirical advantages, it is still not well…

Machine Learning · Computer Science 2022-01-11 Calvin Murdock , George Cazenavette , Simon Lucey

Hyperparameters play a critical role in machine learning. Hyperparameter tuning can make the difference between state-of-the-art and poor prediction performance for any algorithm, but it is particularly challenging for structure learning…

Machine Learning · Computer Science 2024-02-21 Damian Machlanski , Spyridon Samothrakis , Paul Clarke

Recent progress in deep learning has been driven by increasingly larger models. However, their computational and energy demands have grown proportionally, creating significant barriers to their deployment and to a wider adoption of deep…

Machine Learning · Computer Science 2025-09-16 Pedro Savarese

Hyperparameters are configuration variables controlling the behavior of machine learning algorithms. They are ubiquitous in machine learning and artificial intelligence and the choice of their values determines the effectiveness of systems…