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We introduce a novel framework for constructing scalable and flexible covariance kernels for Gaussian processes (GPs) by directly learning the covariance structure under a regression-type parameterization induced by Vecchia approximations,…

Machine Learning · Statistics 2026-05-08 Jian Cao , Nian Liu , Ying Lin

Gaussian Processes (GPs) provide a powerful framework for making predictions and understanding uncertainty for classification with kernels and Bayesian non-parametric learning. Building such models typically requires strong prior knowledge…

Machine Learning · Computer Science 2024-08-16 Changze Huang , Di Wang

Gaussian process regression is a classical kernel method for function estimation and data interpolation. In large data applications, computational costs can be reduced using low-rank or sparse approximations of the kernel. This paper…

Numerical Analysis · Mathematics 2024-10-04 Daniel Sanz-Alonso , Ruiyi Yang

A Gaussian Process (GP) is a prominent mathematical framework for stochastic function approximation in science and engineering applications. This success is largely attributed to the GP's analytical tractability, robustness, non-parametric…

Machine Learning · Statistics 2022-05-19 Marcus M. Noack , Harinarayan Krishnan , Mark D. Risser , Kristofer G. Reyes

Much recent work in bioinformatics has focused on the inference of various types of biological networks, representing gene regulation, metabolic processes, protein-protein interactions, etc. A common setting involves inferring network edges…

Quantitative Methods · Quantitative Biology 2007-05-23 Jean-Philippe Vert , Jian Qiu , William Stafford Noble

Sparse Matrix-Matrix Multiplication (SpMM) is a fundamental operation in graph computing and analytics. However, the irregularity of real-world graphs poses significant challenges to achieving efficient SpMM operation for graph data on…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-12-13 Zhonggen Li , Xiangyu Ke , Yifan Zhu , Yunjun Gao , Yaofeng Tu

While kernel methods and Graph Neural Networks offer complementary strengths, integrating the two has posed challenges in efficiency and scalability. The Graph Neural Tangent Kernel provides a theoretical bridge by interpreting GNNs through…

Machine Learning · Computer Science 2025-07-17 Lin Wang , Shijie Wang , Sirui Huang , Qing Li

Transformer-based Vision-Language Models (VLMs) have achieved impressive performance on tasks such as image captioning, object recognition, and visual reasoning, but their high computational cost hinders deployment in latency-sensitive…

Computer Vision and Pattern Recognition · Computer Science 2025-08-26 Lianming Huang , Haibo Hu , Qiao Li , Xin He , Nan Guan , Chun Jason Xue

Gradient matching is a promising tool for learning parameters and state dynamics of ordinary differential equations. It is a grid free inference approach, which, for fully observable systems is at times competitive with numerical…

Machine Learning · Statistics 2018-04-11 Nico S. Gorbach , Stefan Bauer , Joachim M. Buhmann

Semi-implicit variational inference (SIVI) enhances the expressiveness of variational families through hierarchical semi-implicit distributions, but the intractability of their densities makes standard ELBO-based optimization biased. Recent…

Machine Learning · Statistics 2026-01-21 Longlin Yu , Ziheng Cheng , Shiyue Zhang , Cheng Zhang

The interpretation of complex high-dimensional data typically requires the use of dimensionality reduction techniques to extract explanatory low-dimensional representations. However, in many real-world problems these representations may not…

Machine Learning · Statistics 2019-06-25 Kaspar Märtens , Kieran R. Campbell , Christopher Yau

Gaussian process hyperparameter optimization requires linear solves with, and log-determinants of, large kernel matrices. Iterative numerical techniques are becoming popular to scale to larger datasets, relying on the conjugate gradient…

Machine Learning · Computer Science 2022-06-22 Jonathan Wenger , Geoff Pleiss , Philipp Hennig , John P. Cunningham , Jacob R. Gardner

We consider scattered data approximation on product regions of equal and different dimensionality. On each of these regions, we assume quasi-uniform but unstructured data sites and construct optimal sparse grids for scattered data…

Numerical Analysis · Mathematics 2026-04-24 Michael Griebel , Helmut Harbrecht , Michael Multerer

We present a new paradigm for speeding up randomized computations of several frequently used functions in machine learning. In particular, our paradigm can be applied for improving computations of kernels based on random embeddings. Above…

Machine Learning · Statistics 2016-04-26 Krzysztof Choromanski , Francois Fagan

We present an approach to construct appropriate and efficient emulators for Hamiltonian flow maps. Intended future applications are long-term tracing of fast charged particles in accelerators and magnetic plasma confinement configurations.…

Computational Physics · Physics 2021-06-02 Katharina Rath , Christopher G. Albert , Bernd Bischl , Udo von Toussaint

The rapid rise of scientific machine learning (SciML) has expanded the role of differentiable modeling, surrogate modeling, and data-driven constitutive laws in large-scale simulation. The JAX framework provides an attractive environment…

Mathematical Software · Computer Science 2026-04-27 Alberto Cattaneo , M Keith Ballard , Robert M. Kirby , Varun Shankar

We introduce a nonlinear method for directly embedding large, sparse, stochastic graphs into low-dimensional spaces, without requiring vertex features to reside in, or be transformed into, a metric space. Graph data and models are prevalent…

Machine Learning · Computer Science 2019-06-14 Nikos Pitsianis , Alexandros-Stavros Iliopoulos , Dimitris Floros , Xiaobai Sun

Support Vector Machines (SVMs) are popular tools for data mining tasks such as classification, regression, and density estimation. However, original SVM (C-SVM) only considers local information of data points on or over the margin.…

Artificial Intelligence · Computer Science 2010-09-28 Xin Liu , Ying Ding , Forrest Sheng Bao

w-Projection is a wide-field imaging technique that is widely used in radio synthesis arrays. Processing the wide-field big data generated by the future Square Kilometre Array (SKA) will require significant updates to current methods to…

Instrumentation and Methods for Astrophysics · Physics 2019-11-11 Baoqiang Lao , Tao An , Ang Yu , Wenhui Zhang , Junyi Wang , Quan Guo , Shaoguang Guo , Xiaocong Wu

Sparse Matrix-Matrix multiplication is a key kernel that has applications in several domains such as scientific computing and graph analysis. Several algorithms have been studied in the past for this foundational kernel. In this paper, we…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-01-10 Mehmet Deveci , Christian Trott , Sivasankaran Rajamanickam