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To infer multilayer deep representations of high-dimensional discrete and nonnegative real vectors, we propose an augmentable gamma belief network (GBN) that factorizes each of its hidden layers into the product of a sparse connection…

Machine Learning · Statistics 2016-10-07 Mingyuan Zhou , Yulai Cong , Bo Chen

Recently, graph neural networks (GNNs) have been successfully applied to recommender systems. In recommender systems, the user's feedback behavior on an item is usually the result of multiple factors acting at the same time. However, a…

Information Retrieval · Computer Science 2020-07-14 Dongbo Xi , Fuzhen Zhuang , Yongchun Zhu , Pengpeng Zhao , Xiangliang Zhang , Qing He

We propose an effective method to improve Protein Function Prediction (PFP) utilizing hierarchical features of Gene Ontology (GO) terms. Our method consists of a language model for encoding the protein sequence and a Graph Convolutional…

Artificial Intelligence · Computer Science 2021-12-07 Kyudam Choi , Yurim Lee , Cheongwon Kim , Minsung Yoon

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

Reduced graphene oxide (rGO) exhibits strong anisotropic light absorption and high compatibility with photonic integrated chips, making it a promising material for implementing high performance onchip polarization selective devices. The…

Various machine learning models have been used to predict the properties of polycrystalline materials, but none of them directly consider the physical interactions among neighboring grains despite such microscopic interactions critically…

Materials Science · Physics 2021-07-16 Minyi Dai , Mehmet F. Demirel , Yingyu Liang , Jia-Mian Hu

Many scientific and engineering processes produce spatially unstructured data. However, most data-driven models require a feature matrix that enforces both a set number and order of features for each sample. They thus cannot be easily…

Machine Learning · Computer Science 2021-09-30 Francis Ogoke , Kazem Meidani , Amirreza Hashemi , Amir Barati Farimani

The Generalized Additive Model (GAM) is a powerful tool and has been well studied. This model class helps to identify additive regression structure. Via available test procedures one may identify the regression structure even sharper if…

Methodology · Statistics 2020-09-11 Rong Liu , Wolfgang Karl Härdle

The Gaussian process latent variable model (GPLVM) is a popular probabilistic method used for nonlinear dimension reduction, matrix factorization, and state-space modeling. Inference for GPLVMs is computationally tractable only when the…

Machine Learning · Statistics 2023-06-16 Michael Minyi Zhang , Gregory W. Gundersen , Barbara E. Engelhardt

This paper describes heavy-tailed extensions of a state-of-the-art versatile blind source separation method called fast multichannel nonnegative matrix factorization (FastMNMF) from a unified point of view. The common way of deriving such…

Sound · Computer Science 2022-05-12 Mathieu Fontaine , Kouhei Sekiguchi , Aditya Nugraha , Yoshiaki Bando , Kazuyoshi Yoshii

With our ability to record more neurons simultaneously, making sense of these data is a challenge. Functional connectivity is one popular way to study the relationship between multiple neural signals. Correlation-based methods are a set of…

Neurons and Cognition · Quantitative Biology 2017-06-09 Tiger W. Lin , Anup Das , Giri P. Krishnan , Maxim Bazhenov , Terrence J. Sejnowski

Systems biology is an emerging interdisciplinary area of research that focuses on study of complex interactions in a biological system, such as gene regulatory networks. The discovery of gene regulatory networks leads to a wide range of…

Neural and Evolutionary Computing · Computer Science 2016-10-13 Khalid Raza , Mansaf Alam

Graph Neural Networks (GNNs) are deep-learning architectures designed for graph-type data, where understanding relationships among individual observations is crucial. However, achieving promising GNN performance, especially on unseen data,…

Machine Learning · Computer Science 2024-05-22 Lequan Lin , Dai Shi , Andi Han , Zhiyong Wang , Junbin Gao

Nonnegative matrix factorization (NMF) is a linear dimensionality technique for nonnegative data with applications such as image analysis, text mining, audio source separation and hyperspectral unmixing. Given a data matrix $M$ and a…

Machine Learning · Computer Science 2021-04-14 Junjun Pan , Nicolas Gillis

Scaling deep learning models has been at the heart of recent revolutions in language modelling and image generation. Practitioners have observed a strong relationship between model size, dataset size, and performance. However,…

Mixture models with Gamma and or inverse-Gamma distributed mixture components are useful for medical image tissue segmentation or as post-hoc models for regression coefficients obtained from linear regression within a Generalised Linear…

Machine Learning · Statistics 2016-07-27 A. Llera , D. Vidaurre , R. H. R. Pruim , C. F. Beckmann

Self-supervised learning has shown its promising capability in graph representation learning in recent work. Most existing pre-training strategies usually choose the popular Graph neural networks (GNNs), which can be seen as a special form…

Machine Learning · Computer Science 2023-06-16 Yilin Ding , Zhen Liu , Hao Hao

Graph Neural Networks (GNNs), especially message-passing neural networks (MPNNs), have emerged as powerful architectures for learning on graphs in diverse applications. However, MPNNs face challenges when modeling non-local interactions in…

Machine Learning · Statistics 2024-01-31 Ilyes Batatia , Lars L. Schaaf , Huajie Chen , Gábor Csányi , Christoph Ortner , Felix A. Faber

Fourier feature approximations have been successfully applied in the literature for scalable Gaussian Process (GP) regression. In particular, Quadrature Fourier Features (QFF) derived from Gaussian quadrature rules have gained popularity in…

Machine Learning · Statistics 2023-10-24 Kevin Li , Max Balakirsky , Simon Mak

The implicit solvent approach offers a computationally efficient framework to model solvation effects in molecular simulations. However, its accuracy often falls short compared to explicit solvent models, limiting its use in precise…