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We investigate a simple objective for nonlinear instrumental variable (IV) regression based on a kernelized conditional moment restriction (CMR) known as a maximum moment restriction (MMR). The MMR objective is formulated by maximizing the…

Machine Learning · Computer Science 2023-02-10 Rui Zhang , Masaaki Imaizumi , Bernhard Schölkopf , Krikamol Muandet

Invariant risk minimization (IRM) has recently emerged as a promising alternative for domain generalization. Nevertheless, the loss function is difficult to optimize for nonlinear classifiers and the original optimization objective could…

Machine Learning · Computer Science 2022-03-22 Bo Li , Yifei Shen , Yezhen Wang , Wenzhen Zhu , Colorado J. Reed , Jun Zhang , Dongsheng Li , Kurt Keutzer , Han Zhao

Approximations of the Dirac delta distribution are commonly used to create sequences of smooth functions approximating nonsmooth (generalized) functions, via convolution. In this work, we show a priori rates of convergence of this…

Numerical Analysis · Mathematics 2021-11-18 Luca Heltai , Wenyu Lei

Isogeometric analysis was proposed to bridge the gap between computer-aided design and numerical discretization. However, standard multi-patch isogeometric analysis mandates conformal discretizations across patch interfaces, posing…

Computational Engineering, Finance, and Science · Computer Science 2026-04-09 Yusuf T. Elbadry , Giuliano Guarino , Pablo Antolín , Oliver Weeger

We implemented a coarse-graining procedure to construct mesoscopic models of complex molecules. The final aim is to obtain better results on properties depending on slow modes of the molecules. Therefore the number of particles considered…

Soft Condensed Matter · Physics 2009-10-31 Hendrik Meyer , Oliver Biermann , Roland Faller , Dirk Reith , Florian Mueller-Plathe

Learning a distance metric from the given training samples plays a crucial role in many machine learning tasks, and various models and optimization algorithms have been proposed in the past decade. In this paper, we generalize several…

Machine Learning · Computer Science 2013-09-24 Faqiang Wang , Wangmeng Zuo , Lei Zhang , Deyu Meng , David Zhang

Kernel methods, particularly kernel ridge regression (KRR), are time-proven, powerful nonparametric regression techniques known for their rich capacity, analytical simplicity, and computational tractability. The analysis of their predictive…

Statistics Theory · Mathematics 2025-09-23 Xin Bing , Xin He , Chao Wang

We employ a fast and accurate algorithm to treat dielectric interfaces within molecular dynamics simulations and demonstrate the importance of dielectric boundary forces (DBFs) in two systems of interests in soft-condensed matter science.…

Soft Condensed Matter · Physics 2010-03-08 Stefan Kesselheim , Marcello Sega , Christian Holm

Gaussian Process (GP) regression is a powerful nonparametric Bayesian framework, but its performance depends critically on the choice of covariance kernel. Selecting an appropriate kernel is therefore central to model quality, yet remains…

Machine Learning · Computer Science 2026-01-14 Md Shafiqul Islam , Shakti Prasad Padhy , Douglas Allaire , Raymundo Arróyave

We present an algorithm for fast generation of quasi-uniform and variable-spacing nodes on domains whose boundaries are represented as computer-aided design (CAD) models, more specifically non-uniform rational B-splines (NURBS). This new…

Numerical Analysis · Mathematics 2024-07-04 Urban Duh , Varun Shankar , Gregor Kosec

Asymmetric kernels naturally exist in real life, e.g., for conditional probability and directed graphs. However, most of the existing kernel-based learning methods require kernels to be symmetric, which prevents the use of asymmetric…

Machine Learning · Computer Science 2022-02-04 Mingzhen He , Fan He , Lei Shi , Xiaolin Huang , Johan A. K. Suykens

We present a novel energy-based numerical analysis of semilinear diffusion-reaction boundary value problems. Based on a suitable variational setting, the proposed computational scheme can be seen as an energy minimisation approach. More…

Numerical Analysis · Mathematics 2022-02-16 Mario Amrein , Pascal Heid , Thomas P. Wihler

Physics-informed machine learning combines the expressiveness of data-based approaches with the interpretability of physical models. In this context, we consider a general regression problem where the empirical risk is regularized by a…

Artificial Intelligence · Computer Science 2025-07-15 Nathan Doumèche , Francis Bach , Gérard Biau , Claire Boyer

In this work, based on the moving-least-squares immersed boundary method, we proposed a new technique to improve the calculation of the volume force representing the body boundary. For boundary with simple geometry, we theoretically analyse…

Numerical Analysis · Mathematics 2021-10-27 Wenyuan Chen , Shufan Zou , Qingdong Cai , Yantao Yang

In this work we present a novel optimization strategy for image reconstruction tasks under analysis-based image regularization, which promotes sparse and/or low-rank solutions in some learned transform domain. We parameterize such…

Computer Vision and Pattern Recognition · Computer Science 2023-08-11 Iaroslav Koshelev , Stamatios Lefkimmiatis

Point set is a flexible and lightweight representation widely used for 3D deep learning. However, their discrete nature prevents them from representing continuous and fine geometry, posing a major issue for learning-based shape generation.…

Computer Vision and Pattern Recognition · Computer Science 2021-04-07 Shi-Lin Liu , Hao-Xiang Guo , Hao Pan , Peng-Shuai Wang , Xin Tong , Yang Liu

We perform a stability analysis for a fluid-structure interaction problem in which a spherical elastic shell or membrane is immersed in a 3D viscous, incompressible fluid. The shell is an idealised structure having zero thickness, and has…

Fluid Dynamics · Physics 2016-11-01 William Ko , John M. Stockie

We introduce the implicitly constrained least squares (ICLS) classifier, a novel semi-supervised version of the least squares classifier. This classifier minimizes the squared loss on the labeled data among the set of parameters implied by…

Machine Learning · Statistics 2017-01-31 Jesse H. Krijthe , Marco Loog

The immersed boundary (IB) method has become a leading approach in cardiac fluid-structure interaction (FSI) modeling due to its ability to handle large deformations and complex geometries without requiring mesh regeneration. However, the…

Computational Physics · Physics 2025-09-16 Pengfei Ma , Li Cai , Xuan Wang , Hao Gao

This paper develops a computational framework with unfitted meshes to solve linear piezoelectricity and flexoelectricity electromechanical boundary value problems including strain gradient elasticity at infinitesimal strains. The high-order…

Numerical Analysis · Mathematics 2020-10-08 David Codony , Onofre Marco , Sonia Fernández-Méndez , Irene Arias