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We propose an Gaussian Mixture Model (GMM) learning algorithm, based on our previous work of GMM expansion idea. The new algorithm brings more robustness and simplicity than classic Expectation Maximization (EM) algorithm. It also improves…

Machine Learning · Computer Science 2023-09-07 Weiguo Lu , Xuan Wu , Deng Ding , Gangnan Yuan

While selecting the hyper-parameters of Neural Networks (NNs) has been so far treated as an art, the emergence of more complex, deeper architectures poses increasingly more challenges to designers and Machine Learning (ML) practitioners,…

Machine Learning · Computer Science 2017-12-08 Dimitrios Stamoulis , Ermao Cai , Da-Cheng Juan , Diana Marculescu

We introduce a new regression framework, Gaussian process regression networks (GPRN), which combines the structural properties of Bayesian neural networks with the non-parametric flexibility of Gaussian processes. This model accommodates…

Machine Learning · Statistics 2011-10-21 Andrew Gordon Wilson , David A. Knowles , Zoubin Ghahramani

In the present paper a newer application of Artificial Neural Network (ANN) has been developed i.e., predicting response-function results of electrical-mechanical system through ANN. This method is specially useful to complex systems for…

Neural and Evolutionary Computing · Computer Science 2011-11-09 R. C. Gupta , Ankur Agarwal , Ruchi Gupta , Sanjay Gupta

We show that Gaussian process regression (GPR) allows representing multivariate functions with low-dimensional terms via kernel design. When using a kernel built with HDMR (High-dimensional model representation), one obtains a similar type…

Numerical Analysis · Mathematics 2023-01-27 Eita Sasaki , Manabu Ihara , Sergei Manzhos

Graph neural networks (GNNs) are effective machine learning models for many graph-related applications. Despite their empirical success, many research efforts focus on the theoretical limitations of GNNs, i.e., the GNNs expressive power.…

Machine Learning · Computer Science 2025-01-13 Bingxu Zhang , Changjun Fan , Shixuan Liu , Kuihua Huang , Xiang Zhao , Jincai Huang , Zhong Liu

The generalization properties of Gaussian processes depend heavily on the choice of kernel, and this choice remains a dark art. We present the Neural Kernel Network (NKN), a flexible family of kernels represented by a neural network. The…

Machine Learning · Computer Science 2018-08-07 Shengyang Sun , Guodong Zhang , Chaoqi Wang , Wenyuan Zeng , Jiaman Li , Roger Grosse

The radial basis function (RBF) approach is applied in predicting nuclear masses for 8 widely used nuclear mass models, ranging from macroscopic-microscopic to microscopic types. A significantly improved accuracy in computing nuclear masses…

Nuclear Theory · Physics 2013-09-03 Z. M. Niu , Z. L. Zhu , Y. F. Niu , B. H. Sun , T. H. Heng , J. Y. Guo

Supervised machine learning algorithms, such as graph neural networks (GNN), have successfully predicted material properties. However, the superior performance of GNN usually relies on end-to-end learning on large material datasets, which…

Materials Science · Physics 2025-05-22 Jian-Gang Kong , Ke-Lin Zhao , Jian Li , Qing-Xu Li , Yu Liu , Rui Zhang , Jia-Ji Zhu , Kai Chang

We present a method to extrapolate nuclear binding energies from known values for neighbouring nuclei. We select four specific mass relations constructed to eliminate smooth variation of the binding energy as function nucleon numbers. The…

Nuclear Theory · Physics 2014-08-27 D. Hove , A. S. Jensen , K. Riisager

Gaussian processes (GP) for machine learning have been studied systematically over the past two decades and they are by now widely used in a number of diverse applications. However, GP kernel design and the associated hyper-parameter…

Machine Learning · Computer Science 2020-10-28 Feng Yin , Lishuo Pan , Xinwei He , Tianshi Chen , Sergios Theodoridis , Zhi-Quan , Luo

Deep neural networks (DNN) and Gaussian processes (GP) are two powerful models with several theoretical connections relating them, but the relationship between their training methods is not well understood. In this paper, we show that…

Machine Learning · Statistics 2020-07-21 Mohammad Emtiyaz Khan , Alexander Immer , Ehsan Abedi , Maciej Korzepa

Natural Language Processing (NLP) is widely used in fields like machine translation and sentiment analysis. However, traditional NLP models struggle with accuracy and efficiency. This paper introduces Deep Convolutional Neural Networks…

Computation and Language · Computer Science 2024-12-23 Chang Weng , Scott Rood , Mehdi Ali Ramezani , Amir Aslani , Reza Zarrab , Wang Zwuo , Sanjeev Salimans , Tim Satheesh

The Bayesian neural network (BNN) method is used to construct a predictive model for fragment prediction of proton induced spallation reactions with the guidance of a simplified EPAX formula. Compared to the experimental data, it is found…

Nuclear Theory · Physics 2022-11-17 Peng Dan , Hui-Ling Wei , Xi-Xi Chen , Xiao-Bao Wei , Yu-Ting Wang , Jie Pu , Kai-Xuan Cheng , Chun-Wang Ma

We present a data-driven analysis of dipole strength functions across the nuclear chart, employing an artificial neural network to model and predict nuclear dipole responses. We train the network on a dataset of experimentally measured…

Nuclear Theory · Physics 2024-12-05 Weiguang Jiang , Tim Egert , Sonia Bacca , Francesca Bonaiti , Peter von Neumann Cosel

We introduce Neural Parameter Regression (NPR), a novel framework specifically developed for learning solution operators in Partial Differential Equations (PDEs). Tailored for operator learning, this approach surpasses traditional DeepONets…

Machine Learning · Computer Science 2024-03-20 Konrad Mundinger , Max Zimmer , Sebastian Pokutta

Subgraph representation learning based on Graph Neural Network (GNN) has exhibited broad applications in scientific advancements, such as predictions of molecular structure-property relationships and collective cellular function. In…

Machine Learning · Computer Science 2022-10-17 Yili Shen , Xiao Liu , Cheng-Wei Ju , Jiaxu Yan , Jun Yi , Zhou Lin , Hui Guan

Graph neural network interatomic potentials (GNN-IPs) are gaining significant attention due to their capability of learning from large datasets. Specifically, universal interatomic potentials based on GNN, usually trained with crystalline…

Materials Science · Physics 2025-01-08 Sungwoo Kang

We construct flexible likelihoods for multi-output Gaussian process models that leverage neural networks as components. We make use of sparse variational inference methods to enable scalable approximate inference for the resulting class of…

Machine Learning · Statistics 2019-06-03 Martin Jankowiak , Jacob Gardner

The wide adoption of Convolutional Neural Networks (CNNs) in applications where decision-making under uncertainty is fundamental, has brought a great deal of attention to the ability of these models to accurately quantify the uncertainty in…

Machine Learning · Statistics 2018-05-29 Gia-Lac Tran , Edwin V. Bonilla , John P. Cunningham , Pietro Michiardi , Maurizio Filippone