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We consider the problem of learning a function respecting a symmetry from among a class of symmetries. We develop a unified framework that enables symmetry discovery across a broad range of subgroups including locally symmetric, dihedral…

Machine Learning · Computer Science 2023-10-30 Pavan Karjol , Rohan Kashyap , Aditya Gopalan , Prathosh A. P

Functional data analysis almost always involves smoothing discrete observations into curves, because they are never observed in continuous time and rarely without error. Although smoothing parameters affect the subsequent inference,…

Methodology · Statistics 2025-04-07 Sunny G. W. Wang , Valentin Patilea , Nicolas Klutchnikoff

We propose kernel-gradient drifting, a one-step generative modeling framework that replaces the fixed Euclidean displacement direction in drifting models with directions induced by the kernel itself. Standard drifting is attractive because…

The task of deducing three-dimensional molecular configurations from their two-dimensional graph representations holds paramount importance in the fields of computational chemistry and pharmaceutical development. The rapid advancement of…

Biomolecules · Quantitative Biology 2025-01-09 Bobin Yang , Jie Deng , Zhenghan Chen , Ruoxue Wu

Graphs are ubiquitous in social networks and biochemistry, where Graph Neural Networks (GNN) are the state-of-the-art models for prediction. Graphs can be evolving and it is vital to formally model and understand how a trained GNN responds…

Machine Learning · Computer Science 2024-03-12 Yazheng Liu , Xi Zhang , Sihong Xie

We extend the diffusion-map formalism to data sets that are induced by asymmetric kernels. Analytical convergence results of the resulting expansion are proved, and an algorithm is proposed to perform the dimensional reduction. In this work…

Machine Learning · Computer Science 2024-01-24 Alvaro Almeida Gomez , Antonio Silva Neto , Jorge zubelli

Graph convolutional networks are a new promising learning approach to deal with data on irregular domains. They are predestined to overcome certain limitations of conventional grid-based architectures and will enable efficient handling of…

Computer Vision and Pattern Recognition · Computer Science 2018-09-17 Lasse Hansen , Jasper Diesel , Mattias P. Heinrich

Kernels on graphs have had limited options for node-level problems. To address this, we present a novel, generalized kernel for graphs with node feature data for semi-supervised learning. The kernel is derived from a regularization…

Machine Learning · Computer Science 2022-11-29 Yin-Cong Zhi , Felix L. Opolka , Yin Cheng Ng , Pietro Liò , Xiaowen Dong

Kernel-based non-linear dimensionality reduction methods, such as Local Linear Embedding (LLE) and Laplacian Eigenmaps, rely heavily upon pairwise distances or similarity scores, with which one can construct and study a weighted graph…

Statistics Theory · Mathematics 2019-08-06 Tingran Gao

We present a unified framework to study graph kernels, special cases of which include the random walk graph kernel \citep{GaeFlaWro03,BorOngSchVisetal05}, marginalized graph kernel \citep{KasTsuIno03,KasTsuIno04,MahUedAkuPeretal04}, and…

Machine Learning · Computer Science 2010-11-30 S. V. N. Vishwanathan , Karsten M. Borgwardt , Imre Risi Kondor , Nicol N. Schraudolph

In this paper, we propose Complex Diffusion Maps (CDM), a novel diffusion mapping framework that aims to reveal the dominant complex harmonics of high-dimensional data. Inspired by the local Gaussian kernel relevant to the heat equation and…

Machine Learning · Computer Science 2026-05-05 Tongzhen Dang , Weiyang Ding , Michael K. Ng

Learning mappings between functional spaces, also known as function-on-function regression, is a fundamental problem in functional data analysis with broad applications, including spatiotemporal forecasting, curve prediction, and climate…

Machine Learning · Computer Science 2026-04-07 Matthew Lowery , Zhitong Xu , Da Long , Keyan Chen , Daniel S. Johnson , Yang Bai , Varun Shankar , Shandian Zhe

Can neural networks learn to compare graphs without feature engineering? In this paper, we show that it is possible to learn representations for graph similarity with neither domain knowledge nor supervision (i.e.\ feature engineering or…

Machine Learning · Computer Science 2019-04-23 Rami Al-Rfou , Dustin Zelle , Bryan Perozzi

The correlation matrix is a central representation of functional brain networks in neuroimaging. Traditional analyses often treat pairwise interactions independently in a Euclidean setting, overlooking the intrinsic geometry of correlation…

Machine Learning · Statistics 2025-04-10 Kisung You , Yelim Lee , Hae-Jeong Park

The aim of this paper is to present a survey of some recent results obtained in the study of spaces with asymmetric norm. The presentation follows the ideas from the theory of normed spaces (topology, continuous linear operators, continuous…

Functional Analysis · Mathematics 2016-08-14 S. Cobzaş

In this paper, we explore the use of the diffusion geometry framework for the fusion of geometric and photometric information in local and global shape descriptors. Our construction is based on the definition of a diffusion process on the…

Computer Vision and Pattern Recognition · Computer Science 2015-03-17 Artiom Kovnatsky , Michael M. Bronstein , Alexander M. Bronstein , Ron Kimmel

Fixed point theorems are one of the many tools used to prove existence and uniqueness of differential equations. When the data involved contains products of distributions, some of these tools may not be useful. Thus rises the necessity to…

Analysis of PDEs · Mathematics 2022-05-03 S. O. Juriaans , J. Oliveira

Typical R-convolution graph kernels invoke the kernel functions that decompose graphs into non-isomorphic substructures and compare them. However, overlooking implicit similarities and topological position information between those…

Machine Learning · Computer Science 2024-05-10 Shuhao Tang , Hao Tian , Xiaofeng Cao , Wei Ye

By selecting different filter functions, spectral algorithms can generate various regularization methods to solve statistical inverse problems within the learning-from-samples framework. This paper combines distributed spectral algorithms…

Machine Learning · Statistics 2025-02-18 Jiading Liu , Lei Shi

The past decade has seen a flourishing of advances in harmonic analysis of graphs. They lie at the crossroads of graph theory and such analytical tools as graph Laplacians, Markov processes and associated boundaries, analysis of path-space,…

Dynamical Systems · Mathematics 2020-07-31 Sergey Bezuglyi , Palle E. T. Jorgensen