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The recently-introduced self-learning Monte Carlo method is a general-purpose numerical method that speeds up Monte Carlo simulations by training an effective model to propose uncorrelated configurations in the Markov chain. We implement…

Strongly Correlated Electrons · Physics 2017-10-11 Yuki Nagai , Huitao Shen , Yang Qi , Junwei Liu , Liang Fu

In this paper, we adopt a probability distribution estimation perspective to explore the optimization mechanisms of supervised classification using deep neural networks. We demonstrate that, when employing the Fenchel-Young loss, despite…

Machine Learning · Computer Science 2025-04-01 Binchuan Qi , Wei Gong , Li Li

Even though Bayesian neural networks offer a promising framework for modeling uncertainty, active learning and incorporating prior physical knowledge, few applications of them can be found in the context of interatomic force modeling. One…

Chemical Physics · Physics 2023-04-10 Tim Rensmeyer , Benjamin Craig , Denis Kramer , Oliver Niggemann

We examine the zero-temperature Metropolis Monte Carlo algorithm as a tool for training a neural network by minimizing a loss function. We find that, as expected on theoretical grounds and shown empirically by other authors, Metropolis…

Machine Learning · Computer Science 2022-08-11 Stephen Whitelam , Viktor Selin , Ian Benlolo , Corneel Casert , Isaac Tamblyn

We address the challenging problem of deep representation learning--the efficient adaption of a pre-trained deep network to different tasks. Specifically, we propose to explore gradient-based features. These features are gradients of the…

Machine Learning · Computer Science 2020-04-14 Fangzhou Mu , Yingyu Liang , Yin Li

Although deep learning has shown its powerful performance in many applications, the mathematical principles behind neural networks are still mysterious. In this paper, we consider the problem of learning a one-hidden-layer neural network…

Machine Learning · Computer Science 2019-07-17 Shuhao Xia , Yuanming Shi

We present a new method to approximate posterior probabilities of Bayesian Network using Deep Neural Network. Experiment results on several public Bayesian Network datasets shows that Deep Neural Network is capable of learning joint…

Machine Learning · Computer Science 2018-01-12 Jie Jia , Honggang Zhou , Yunchun Li

Achieving robust uncertainty quantification for deep neural networks represents an important requirement in many real-world applications of deep learning such as medical imaging where it is necessary to assess the reliability of a neural…

Machine Learning · Computer Science 2024-03-15 Tim Rensmeyer , Oliver Niggemann

In this paper, we will provide an introduction to the derivative-free optimization algorithms which can be potentially applied to train deep learning models. Existing deep learning model training is mostly based on the back propagation…

Machine Learning · Computer Science 2019-04-23 Jiawei Zhang

This paper proposes a novel approach to train deep neural networks by unlocking the layer-wise dependency of backpropagation training. The approach employs additional modules called local critic networks besides the main network model to be…

Machine Learning · Computer Science 2018-09-28 Hojung Lee , Jong-seok Lee

Deep learning techniques are increasingly applied to scientific problems, where the precision of networks is crucial. Despite being deemed as universal function approximators, neural networks, in practice, struggle to reduce the prediction…

Machine Learning · Computer Science 2023-07-19 Yongji Wang , Ching-Yao Lai

Training a very deep neural network is a challenging task, as the deeper a neural network is, the more non-linear it is. We compare the performances of various preconditioned Langevin algorithms with their non-Langevin counterparts for the…

Machine Learning · Computer Science 2023-01-02 Pierre Bras

Training deep neural networks for solving machine learning problems is one great challenge in the field, mainly due to its associated optimisation problem being highly non-convex. Recent developments have suggested that many training…

Machine Learning · Computer Science 2017-11-23 Hao Shen

We present a method for training a deep neural network containing sinusoidal activation functions to fit to time-series data. Weights are initialized using a fast Fourier transform, then trained with regularization to improve…

Neural and Evolutionary Computing · Computer Science 2014-05-12 Michael S. Gashler , Stephen C. Ashmore

We introduce a novel training principle for probabilistic models that is an alternative to maximum likelihood. The proposed Generative Stochastic Networks (GSN) framework is based on learning the transition operator of a Markov chain whose…

Machine Learning · Computer Science 2014-05-27 Yoshua Bengio , Éric Thibodeau-Laufer , Guillaume Alain , Jason Yosinski

Deep neural network training spends most of the computation on examples that are properly handled, and could be ignored. We propose to mitigate this phenomenon with a principled importance sampling scheme that focuses computation on…

Machine Learning · Computer Science 2019-10-29 Angelos Katharopoulos , François Fleuret

In this paper, we propose Stochastic Block-ADMM as an approach to train deep neural networks in batch and online settings. Our method works by splitting neural networks into an arbitrary number of blocks and utilizes auxiliary variables to…

Machine Learning · Computer Science 2021-05-04 Saeed Khorram , Xiao Fu , Mohamad H. Danesh , Zhongang Qi , Li Fuxin

Deep neural networks have recently achieved state of the art performance thanks to new training algorithms for rapid parameter estimation and new regularization methods to reduce overfitting. However, in practice the network architecture…

Machine Learning · Computer Science 2016-03-04 Minyoung Kim , Luca Rigazio

The training process of neural networks is known to be time-consuming, and having a deep architecture only aggravates the issue. This process consists mostly of matrix operations, among which matrix multiplication is the bottleneck. Several…

Machine Learning · Computer Science 2025-06-17 Sana Ebrahimi , Rishi Advani , Abolfazl Asudeh

Deep learning has been applied to various tasks in the field of machine learning and has shown superiority to other common procedures such as kernel methods. To provide a better theoretical understanding of the reasons for its success, we…

Machine Learning · Statistics 2023-05-31 Satoshi Hayakawa , Taiji Suzuki
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