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The increasing availability of graph-structured data motivates the task of optimising over functions defined on the node set of graphs. Traditional graph search algorithms can be applied in this case, but they may be sample-inefficient and…

Machine Learning · Computer Science 2023-10-31 Xingchen Wan , Pierre Osselin , Henry Kenlay , Binxin Ru , Michael A. Osborne , Xiaowen Dong

Basis Function (BF) expansions are a cornerstone of any engineer's toolbox for computational function approximation which shares connections with both neural networks and Gaussian processes. Even though BF expansions are an intuitive and…

Signal Processing · Electrical Eng. & Systems 2024-08-15 Anton Kullberg , Frida Viset , Isaac Skog , Gustaf Hendeby

Procedural material models have been gaining traction in many applications thanks to their flexibility, compactness, and easy editability. We explore the inverse rendering problem of procedural material parameter estimation from…

Graphics · Computer Science 2025-04-22 Yu Guo , Milos Hasan , Lingqi Yan , Shuang Zhao

We implemented a geometry optimizer based on Gaussian process regression (GPR) to find minimum structures on potential energy surfaces. We tested both a two times differentiable form of the Mat\'{e}rn kernel and the squared exponential…

Chemical Physics · Physics 2020-09-15 Alexander Denzel , Johannes Kästner

A central theme in classical algorithms for the reconstruction of discontinuous functions from observational data is perimeter regularization via the use of the total variation. On the other hand, sparse or noisy data often demands a…

Optimization and Control · Mathematics 2020-04-13 Oliver R. A. Dunbar , Matthew M. Dunlop , Charles M. Elliott , Viet Ha Hoang , Andrew M. Stuart

In this work, we propose an adaptive radial basis function (RBF) approach for the efficient solution of multidimensional spatiotemporal integrodifferential equations. Our approach can automatically adjust the shape of RBFs and provide an…

Numerical Analysis · Mathematics 2026-04-08 Mingtao Xia , Qijing Shen

Some real-world problems revolve to solve the optimization problem \max_{x\in\mathcal{X}}f\left(x\right) where f\left(.\right) is a black-box function and X might be the set of non-vectorial objects (e.g., distributions) where we can only…

Machine Learning · Computer Science 2017-09-20 Trung Le , Khanh Nguyen , Tu Dinh Nguyen , Dinh Phung

This paper proposes an automatic controller tuning framework based on linear optimal control combined with Bayesian optimization. With this framework, an initial set of controller gains is automatically improved according to a pre-defined…

Robotics · Computer Science 2017-09-21 Alonso Marco , Philipp Hennig , Jeannette Bohg , Stefan Schaal , Sebastian Trimpe

In this paper, a new localized radial basis function (RBF) method based on partition of unity (PU) is proposed for solving boundary and initial-boundary value problems. The new method is benefited from a direct discretization approach and…

Numerical Analysis · Mathematics 2020-10-28 Davoud Mirzaei

Bayesian optimization has become a fundamental global optimization algorithm in many problems where sample efficiency is of paramount importance. Recently, there has been proposed a large number of new applications in fields such as…

Artificial Intelligence · Computer Science 2019-02-06 Ruben Martinez-Cantin

We present a new method for the solution of PDEs on manifolds $\mathbb{M} \subset \mathbb{R}^d$ of co-dimension one using stable scale-free radial basis function (RBF) interpolation. Our method involves augmenting polyharmonic spline (PHS)…

Numerical Analysis · Mathematics 2018-08-15 Varun Shankar , Akil Narayan , Robert M. Kirby

Random Fourier Features (RFF) is among the most popular and broadly applicable approaches for scaling up kernel methods. In essence, RFF allows the user to avoid costly computations on a large kernel matrix via a fast randomized…

Machine Learning · Statistics 2023-02-23 Junwen Yao , N. Benjamin Erichson , Miles E. Lopes

While particle trajectories encode information on their governing potentials, potentials can be challenging to robustly extract from trajectories. Measurement errors may corrupt a particle's position, and sparse sampling of the potential…

Data Analysis, Statistics and Probability · Physics 2022-02-08 J. Shepard Bryan , Prithviraj Basak , John Bechhoefer , Steve Presse

We tackle the problem of system identification, where we select inputs, observe the corresponding outputs from the true system, and optimize the parameters of our model to best fit the data. We propose a practical and computationally…

Systems and Control · Electrical Eng. & Systems 2025-10-02 Alexandros E. Tzikas , Mykel J. Kochenderfer

This note carries three purposes involving our latest advances on the radial basis function (RBF) approach. First, we will introduce a new scheme employing the boundary knot method (BKM) to nonlinear convection-diffusion problem. It is…

Computational Engineering, Finance, and Science · Computer Science 2007-05-23 W. Chen , W. He

While Bayesian neural networks (BNNs) have drawn increasing attention, their posterior inference remains challenging, due to the high-dimensional and over-parameterized nature. To address this issue, several highly flexible and scalable…

Machine Learning · Statistics 2019-05-10 Ziyu Wang , Tongzheng Ren , Jun Zhu , Bo Zhang

Because of the high approximation power and simplicity of computation of smooth radial basis functions (RBFs), in recent decades they have received much attention for function approximation. These RBFs contain a shape parameter that…

Numerical Analysis · Mathematics 2023-06-23 Fatemeh Pooladi , Hossein Hosseinzadeh

Real world experiments are expensive, and thus it is important to reach a target in minimum number of experiments. Experimental processes often involve control variables that changes over time. Such problems can be formulated as a…

Random Fourier Features (RFF) demonstrate wellappreciated performance in kernel approximation for largescale situations but restrict kernels to be stationary and positive definite. And for non-stationary kernels, the corresponding RFF could…

Machine Learning · Statistics 2021-04-15 Qin Luo , Kun Fang , Jie Yang , Xiaolin Huang

Gaussian processes are important models in the field of probabilistic numerics. We present a procedure for optimizing Mat\'ern kernel temporal Gaussian processes with respect to the kernel covariance function's hyperparameters. It is based…

Machine Learning · Computer Science 2025-08-14 Wouter M. Kouw
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