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Effectively predicting molecular interactions has the potential to accelerate molecular dynamics by multiple orders of magnitude and thus revolutionize chemical simulations. Graph neural networks (GNNs) have recently shown great successes…

Computational Physics · Physics 2024-06-25 Johannes Gasteiger , Florian Becker , Stephan Günnemann

Graph contrastive learning (GCL) shows great potential in unsupervised graph representation learning. Data augmentation plays a vital role in GCL, and its optimal choice heavily depends on the downstream task. Many GCL methods with…

Machine Learning · Computer Science 2023-05-30 Xin Xiong , Furao Shen , Xiangyu Wang , Jian Zhao

Group equivariant convolutional neural networks (G-CNNs) have been successfully applied in geometric deep learning. Typically, G-CNNs have the advantage over CNNs that they do not waste network capacity on training symmetries that should…

Machine Learning · Computer Science 2023-04-04 Gijs Bellaard , Daan L. J. Bon , Gautam Pai , Bart M. N. Smets , Remco Duits

Generalized Gibbs kernels are those that may take any direction not necessarily bounded to each axis along the parameters of the objective function. We study how to optimally choose such directions in a Directional, random scan, Gibbs…

Generic matrix multiplication (GEMM) and one-dimensional convolution/cross-correlation (CONV) kernels often constitute the bulk of the compute- and memory-intensive processing within image/audio recognition and matching systems. We propose…

Multimedia · Computer Science 2014-11-12 Mohammad Ashraful Anam , Paul N. Whatmough , Yiannis Andreopoulos

This paper introduces a novel density estimator supported on $d$-dimensional half-spaces. It stands out as the first asymmetric kernel density estimator for half-spaces in the literature. Using the multivariate inverse Gaussian (MIG)…

Statistics Theory · Mathematics 2026-03-09 Léo R. Belzile , Alain Desgagné , Christian Genest , Frédéric Ouimet

The recent development of high-throughput sequencing creates a large collection of multi-omics data, which enables researchers to better investigate cancer molecular profiles and cancer taxonomy based on molecular subtypes. Integrating…

Genomics · Quantitative Biology 2024-01-25 Bingjun Li , Sheida Nabavi

The Neural Tangent Kernel (NTK) is the wide-network limit of a kernel defined using neural networks at initialization, whose embedding is the gradient of the output of the network with respect to its parameters. We study the "after kernel",…

Machine Learning · Computer Science 2021-12-14 Philip M. Long

An important goal in visual recognition is to devise image representations that are invariant to particular transformations. In this paper, we address this goal with a new type of convolutional neural network (CNN) whose invariance is…

Computer Vision and Pattern Recognition · Computer Science 2015-01-08 Julien Mairal , Piotr Koniusz , Zaid Harchaoui , Cordelia Schmid

We analyze the convergence of generalized kernel-based interpolation methods. This is done under minimalistic assumptions on both the kernel and the target function. On these grounds, we further prove convergence of popular greedy data…

Numerical Analysis · Mathematics 2024-11-26 Kristof Albrecht , Armin Iske

We applied pre-defined kernels also known as filters or masks developed for image processing to convolution neural network. Instead of letting neural networks find its own kernels, we used 41 different general-purpose kernels of blurring,…

Computer Vision and Pattern Recognition · Computer Science 2019-01-23 Jay Hoon Jung , Yousun Shin , YoungMin Kwon

As a robust nonlinear similarity measure in kernel space, correntropy has received increasing attention in domains of machine learning and signal processing. In particular, the maximum correntropy criterion (MCC) has recently been…

Machine Learning · Statistics 2016-07-12 Badong Chen , Lei Xing , Haiquan Zhao , Nanning Zheng , José C. Príncipe

Graph kernel is a powerful tool measuring the similarity between graphs. Most of the existing graph kernels focused on node labels or attributes and ignored graph hierarchical structure information. In order to effectively utilize graph…

Machine Learning · Computer Science 2020-11-03 Kai Ma , Peng Wan , Daoqiang Zhang

Currently, increasingly deeper neural networks have been applied to improve their accuracy. In contrast, We propose a novel wider Convolutional Neural Networks (CNN) architecture, motivated by the Multi-column Deep Neural Networks and the…

Computer Vision and Pattern Recognition · Computer Science 2018-10-10 Xiaobo Huang

Support Vector Machines (SVMs) are powerful learners that have led to state-of-the-art results in various computer vision problems. SVMs suffer from various drawbacks in terms of selecting the right kernel, which depends on the image…

Computer Vision and Pattern Recognition · Computer Science 2014-03-31 Gemma Roig , Xavier Boix , Luc Van Gool

Physics-informed neural networks (PINNs) offer a mesh-free framework for solving partial differential equations (PDEs), yet training often suffers from gradient pathologies, spectral bias, and poor convergence, especially for problems with…

Machine Learning · Computer Science 2026-05-20 Jianan Yang , Yiran Wang , Shuai Li , Fujun Cao , Xuefei Yan , Junmin Liu

With the emergence of passive and active optical sensors available for geospatial imaging, information fusion across sensors is becoming ever more important. An important aspect of single (or multiple) sensor geospatial image analysis is…

Computer Vision and Pattern Recognition · Computer Science 2016-07-19 Saurabh Prasad , Minshan Cui , Lifeng Yan

In real supervised learning scenarios, it is not uncommon that the training and test sample follow different probability distributions, thus rendering the necessity to correct the sampling bias. Focusing on a particular covariate shift…

Machine Learning · Computer Science 2012-06-22 Yaoliang Yu , Csaba Szepesvari

Kernel mean embeddings are a popular tool that consists in representing probability measures by their infinite-dimensional mean embeddings in a reproducing kernel Hilbert space. When the kernel is characteristic, mean embeddings can be used…

Machine Learning · Computer Science 2021-06-29 Boris Muzellec , Francis Bach , Alessandro Rudi

In this paper, we propose CKGAN, a novel generative adversarial network (GAN) variant based on an integral probability metrics framework with characteristic kernel (CKIPM). CKIPM, as a distance between two probability distributions, is…

Machine Learning · Computer Science 2025-04-09 Kuntian Zhang , Simin Yu , Yaoshu Wang , Makoto Onizuka , Chuan Xiao