English
Related papers

Related papers: A Note on Automatic Kernel Carpentry for Atomistic…

200 papers

We propose an adaptive scheme for distributed learning of nonlinear functions by a network of nodes. The proposed algorithm consists of a local adaptation stage utilizing multiple kernels with projections onto hyperslabs and a diffusion…

Signal Processing · Electrical Eng. & Systems 2018-09-05 Ban-Sok Shin , Masahiro Yukawa , Renato Luis Garrido Cavalcante , Armin Dekorsy

Kernel density estimation (KDE) is integral to a range of generative and discriminative tasks in machine learning. Drawing upon tools from the multidimensional calculus of variations, we derive an optimal weight function that reduces bias…

Machine Learning · Computer Science 2023-11-07 Sangwoong Yoon , Frank C. Park , Gunsu S Yun , Iljung Kim , Yung-Kyun Noh

These notes provide a self-contained introduction to kernel methods and their geometric foundations in machine learning. Starting from the construction of Hilbert spaces, we develop the theory of positive definite kernels, reproducing…

Classical atomistic simulations based on interatomic potentials resolve lattice instabilities, defect nucleation, and microstructure evolution with high fidelity, but their accessible system sizes remain far below those required for…

Numerical Analysis · Mathematics 2026-05-26 Aagashram Neelakandan , Karsten Albe , Bernhard Eidel

Modern Bayesian optimization and adaptive sampling methods increasingly rely on nonlinear parametric models, yet theoretical guarantees for such models under adaptive data collection remain limited. Existing analyses largely focus on…

Machine Learning · Statistics 2026-05-14 Rafael Oliveira

This work presents a distributed algorithm for nonlinear adaptive learning. In particular, a set of nodes obtain measurements, sequentially one per time step, which are related via a nonlinear function; their goal is to collectively…

Information Theory · Computer Science 2016-02-09 Symeon Chouvardas , Moez Draief

Kernel functions are vital ingredients of several machine learning algorithms, but often incur significant memory and computational costs. We introduce an approach to kernel approximation in machine learning algorithms suitable for…

An infinitely wide model is a weighted integration $\int \varphi(x,v) d \mu(v)$ of feature maps. This model excels at handling an infinite number of features, and thus it has been adopted to the theoretical study of deep learning. Kernel…

Machine Learning · Statistics 2020-07-08 Sho Sonoda

This article presents a quantum computing approach to designing of similarity measures and kernels for classification of stochastic symbolic time series. In the area of machine learning, kernels are important components of various…

Quantum Physics · Physics 2025-06-10 Vanio Markov , Vladimir Rastunkov , Daniel Fry

Atomic-scale phase-field modeling formulates the probability densities of atomic vibrations as Gaussian distributions and derives a free energy functional using variational Gaussian theory and interatomic potentials. This framework permits…

Materials Science · Physics 2025-09-17 Kairi Masuda , Yu Kumagai

Natural language processing often involves computations with semantic or syntactic graphs to facilitate sophisticated reasoning based on structural relationships. While convolution kernels provide a powerful tool for comparing graph…

Computation and Language · Computer Science 2018-02-13 Sahil Garg , Greg Ver Steeg , Aram Galstyan

Several statistical approaches based on reproducing kernels have been proposed to detect abrupt changes arising in the full distribution of the observations and not only in the mean or variance. Some of these approaches enjoy good…

Statistics Theory · Mathematics 2017-10-13 Alain Celisse , Guillemette Marot , Morgane Pierre-Jean , Guillem Rigaill

Previous results pertaining to algebraic state and parameter estimation of linear systems based on a special construction of a forward-backward kernel representation of linear differential invariants are extended to handle large noise in…

Systems and Control · Electrical Eng. & Systems 2021-02-02 Debarshi Patanjali Ghoshal , Hannah Michalska

In this paper, we propose a novel adaptive kernel for the radial basis function (RBF) neural networks. The proposed kernel adaptively fuses the Euclidean and cosine distance measures to exploit the reciprocating properties of the two. The…

Machine Learning · Statistics 2019-05-10 Shujaat Khan , Imran Naseem , Roberto Togneri , Mohammed Bennamoun

We show that machine learning can improve the accuracy of simulations of stress waves in one-dimensional composite materials. We propose a data-driven technique to learn nonlocal constitutive laws for stress wave propagation models. The…

Machine Learning · Computer Science 2020-12-09 Huaiqian You , Yue Yu , Stewart Silling , Marta D'Elia

In this paper, a class of high order numerical schemes is proposed to solve the nonlinear parabolic equations with variable coefficients. This method is based on our previous work [10] for convection-diffusion equations, which relies on a…

Numerical Analysis · Mathematics 2020-12-30 Kaipeng Wang , Andrew Christlieb , Yan Jiang , Mengping Zhang

We study the risk (i.e. generalization error) of Kernel Ridge Regression (KRR) for a kernel $K$ with ridge $\lambda>0$ and i.i.d. observations. For this, we introduce two objects: the Signal Capture Threshold (SCT) and the Kernel Alignment…

Machine Learning · Statistics 2020-06-18 Arthur Jacot , Berfin Şimşek , Francesco Spadaro , Clément Hongler , Franck Gabriel

Nystr\"om approximation is a fast randomized method that rapidly solves kernel ridge regression (KRR) problems through sub-sampling the n-by-n empirical kernel matrix appearing in the objective function. However, the performance of such a…

Machine Learning · Statistics 2021-03-10 Yifan Chen , Yun Yang

A linear multiple regression model in function spaces is formulated, under temporal correlated errors. This formulation involves kernel regressors. A generalized least-squared regression parameter estimator is derived. Its asymptotic…

Statistics Theory · Mathematics 2018-08-07 M. D. Ruiz-Medina , D. Miranda , R. M. Espejo

A multi-task learning (MTL) framework, called gradient kernel ridge regression, for nuclear masses and separation energies is developed by introducing gradient kernel functions to the kernel ridge regression (KRR) approach. By taking the…

Nuclear Theory · Physics 2022-08-31 X. H. Wu , Y. Y. Lu , P. W. Zhao