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Recent advances in machine-learning interatomic potentials have enabled the efficient modeling of complex atomistic systems with an accuracy that is comparable to that of conventional quantum mechanics based methods. At the same time, the…

Materials Science · Physics 2021-05-06 April M. Miksch , Tobias Morawietz , Johannes Kästner , Alexander Urban , Nongnuch Artrith

The time and effort involved in hand-designing deep neural networks is immense. This has prompted the development of Neural Architecture Search (NAS) techniques to automate this design. However, NAS algorithms tend to be slow and expensive;…

Machine Learning · Computer Science 2021-06-14 Joseph Mellor , Jack Turner , Amos Storkey , Elliot J. Crowley

Predicting the properties of a molecule from its structure is a challenging task. Recently, deep learning methods have improved the state of the art for this task because of their ability to learn useful features from the given data. By…

Machine Learning · Computer Science 2020-08-28 Shengli Jiang , Prasanna Balaprakash

Quantum neural networks (QNNs) and quantum kernels stand as prominent figures in the realm of quantum machine learning, poised to leverage the nascent capabilities of near-term quantum computers to surmount classical machine learning…

Quantum Physics · Physics 2023-12-14 Yiming Huang , Huiyuan Wang , Yuxuan Du , Xiao Yuan

Artificial neural networks are at the heart of modern deep learning algorithms. We describe how to embed and train a general neural network in a quantum annealer without introducing any classical element in training. To implement the…

Quantum Physics · Physics 2022-08-17 Steve Abel , Juan C. Criado , Michael Spannowsky

Despite their great success, neural networks still remain as black-boxes due to the lack of interpretability. Here we propose a new analyzing method, namely the weight pathway analysis (WPA), to make them transparent. We consider weights in…

Machine Learning · Computer Science 2022-08-09 Sihan Feng , Yong Zhang , Fuming Wang , Hong Zhao

Neural networks with random hidden nodes have gained increasing interest from researchers and practical applications. This is due to their unique features such as very fast training and universal approximation property. In these networks…

Neural and Evolutionary Computing · Computer Science 2017-10-16 Grzegorz Dudek

Neural architecture search (NAS) has shown promise towards automating neural network design for a given task, but it is computationally demanding due to training costs associated with evaluating a large number of architectures to find the…

Computer Vision and Pattern Recognition · Computer Science 2025-02-07 Shahid Siddiqui , Christos Kyrkou , Theocharis Theocharides

The architecture of a neural network (NN) plays a critical role in determining its performance. However, there is no general closed-form function that maps between network structure and accuracy, making the process of architecture design…

Machine Learning · Computer Science 2025-07-29 Jinwook Hong

This paper presents an algorithm for analytically calculating the weights and thresholds of convolutional neural networks (CNNs) without using standard training procedures. The algorithm enables the determination of CNN parameters based on…

Computer Vision and Pattern Recognition · Computer Science 2025-05-29 Polad Geidarov

Non-local operations play a crucial role in computer vision enabling the capture of long-range dependencies through weighted sums of features across the input, surpassing the constraints of traditional convolution operations that focus…

Computer Vision and Pattern Recognition · Computer Science 2024-08-23 Sparsh Gupta , Debanjan Konar , Vaneet Aggarwal

We tackle image question answering (ImageQA) problem by learning a convolutional neural network (CNN) with a dynamic parameter layer whose weights are determined adaptively based on questions. For the adaptive parameter prediction, we…

Computer Vision and Pattern Recognition · Computer Science 2015-11-19 Hyeonwoo Noh , Paul Hongsuck Seo , Bohyung Han

This paper introduces the QMDP-net, a neural network architecture for planning under partial observability. The QMDP-net combines the strengths of model-free learning and model-based planning. It is a recurrent policy network, but it…

Artificial Intelligence · Computer Science 2017-11-06 Peter Karkus , David Hsu , Wee Sun Lee

In this thesis, we investigate whether quantum algorithms can be used in the field of machine learning for both long and near term quantum computers. We will first recall the fundamentals of machine learning and quantum computing and then…

Quantum Physics · Physics 2021-11-08 Jonas Landman

Quantum Machine Learning (QML) is a recent and rapidly evolving field where the theoretical framework and logic of quantum mechanics are employed to solve machine learning tasks. Various techniques with different levels of quantum-classical…

Quantum Physics · Physics 2023-04-17 Alessandro Giovagnoli , Yunpu Ma , Volker Tresp

We propose a method to incrementally learn an embedding space over the domain of network architectures, to enable the careful selection of architectures for evaluation during compressed architecture search. Given a teacher network, we…

Computer Vision and Pattern Recognition · Computer Science 2019-04-26 Shengcao Cao , Xiaofang Wang , Kris M. Kitani

For almost 70 years, researchers have typically selected the width of neural networks' layers either manually or through automated hyperparameter tuning methods such as grid search and, more recently, neural architecture search. This paper…

Machine Learning · Computer Science 2026-02-17 Federico Errica , Henrik Christiansen , Viktor Zaverkin , Mathias Niepert , Francesco Alesiani

The recent WSNet [1] is a new model compression method through sampling filterweights from a compact set and has demonstrated to be effective for 1D convolutionneural networks (CNNs). However, the weights sampling strategy of WSNet…

Computer Vision and Pattern Recognition · Computer Science 2020-01-01 Daquan Zhou , Xiaojie Jin , Qibin Hou , Kaixin Wang , Jianchao Yang , Jiashi Feng

The learning process for multi layered neural networks with many nodes makes heavy demands on computational resources. In some neural network models, the learning formulas, such as the Widrow-Hoff formula, do not change the eigenvectors of…

Quantum Physics · Physics 2018-02-22 Ammar Daskin

We investigate deep morphological neural networks (DMNNs). We demonstrate that despite their inherent non-linearity, "linear" activations are essential for DMNNs. To preserve their inherent sparsity, we propose architectures that constraint…

Machine Learning · Computer Science 2025-12-24 Konstantinos Fotopoulos , Petros Maragos