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Spectral features are widely incorporated within Graph Neural Networks (GNNs) to improve their expressive power, or their ability to distinguish among non-isomorphic graphs. One popular example is the usage of graph Laplacian eigenvectors…

Machine Learning · Computer Science 2025-09-29 Snir Hordan , Maya Bechler-Speicher , Gur Lifshitz , Nadav Dym

A connection between the General Linear Model (GLM) in combination with classical statistical inference and the machine learning (MLE)-based inference is described in this paper. Firstly, the estimation of the GLM parameters is expressed as…

Machine Learning · Statistics 2022-02-10 Juan Manuel Gorriz , SIPBA group , John Suckling

Symmetric functions, which take as input an unordered, fixed-size set, are known to be universally representable by neural networks that enforce permutation invariance. These architectures only give guarantees for fixed input sizes, yet in…

Machine Learning · Computer Science 2022-10-11 Aaron Zweig , Joan Bruna

Imbalanced classification presents a formidable challenge in machine learning, particularly when tabular datasets are plagued by noise and overlapping class boundaries. From a geometric perspective, the core difficulty lies in the…

Machine Learning · Computer Science 2026-02-16 Xubin Wang , Qing Li , Weijia Jia

Sparse matrix computations are ubiquitous in scientific computing. With the recent interest in scientific machine learning, it is natural to ask how sparse matrix computations can leverage neural networks (NN). Unfortunately, multi-layer…

Numerical Analysis · Mathematics 2023-10-24 Nicholas S. Moore , Eric C. Cyr , Peter Ohm , Christopher M. Siefert , Raymond S. Tuminaro

Graph neural networks (GNNs) are commonly used in semi-supervised settings. Previous research has primarily focused on finding appropriate graph filters (e.g. aggregation methods) to perform well on both homophilic and heterophilic graphs.…

Machine Learning · Computer Science 2025-01-17 Yoonhyuk Choi , Jiho Choi , Taewook Ko , Chong-Kwon Kim

Large language models (LLMs) are advanced AI systems applied across various domains, including NLP, information retrieval, and recommendation systems. Despite their adaptability and efficiency, LLMs have not been extensively explored for…

Artificial Intelligence · Computer Science 2025-07-08 Harshith Manjunath , Lucas Heublein , Tobias Feigl , Felix Ott

Correctly capturing the symmetry transformations of data can lead to efficient models with strong generalization capabilities, though methods incorporating symmetries often require prior knowledge. While recent advancements have been made…

Integer Linear Programs (ILPs) are a flexible and ubiquitous model for discrete optimization problems. Solving ILPs is \textsf{NP-Hard} yet of great practical importance. Super-quadratic quantum speedups for ILPs have been difficult to…

Implicit Neural Representations (INRs) employ neural networks to represent continuous functions by mapping coordinates to the corresponding values of the target function, with applications e.g., inverse graphics. However, INRs face a…

Computer Vision and Pattern Recognition · Computer Science 2025-02-11 Mingze Ma , Qingtian Zhu , Yifan Zhan , Zhengwei Yin , Hongjun Wang , Yinqiang Zheng

Many learning algorithms such as kernel machines, nearest neighbors, clustering, or anomaly detection, are based on the concept of 'distance' or 'similarity'. Before similarities are used for training an actual machine learning model, we…

Graph neural networks (GNNs) are emerging machine learning models on graphs. Permutation-equivariance and proximity-awareness are two important properties highly desirable for GNNs. Both properties are needed to tackle some challenging…

Machine Learning · Computer Science 2022-02-23 Ziwei Zhang , Chenhao Niu , Peng Cui , Jian Pei , Bo Zhang , Wenwu Zhu

We present two novel applications of symmetries for mixed-integer linear programming. First we propose two variants of a new heuristic to improve the objective value of a feasible solution using symmetries. These heuristics can use either…

Optimization and Control · Mathematics 2014-08-19 Philipp M. Christophel , Menal Güzelsoy , Imre Pólik

There remains an open question about the usefulness and the interpretation of Machine learning (MLE) approaches for discrimination of spatial patterns of brain images between samples or activation states. In the last few decades, these…

Machine Learning · Statistics 2022-09-22 JM Gorriz , R. Martin-Clemente , C. G. Puntonet , A. Ortiz , J. Ramirez , J. Suckling

Invariance to nuisance transformations is one of the desirable properties of effective representations. We consider transformations that form a \emph{group} and propose an approach based on kernel methods to derive local group invariant…

Machine Learning · Computer Science 2017-05-25 Anant Raj , Abhishek Kumar , Youssef Mroueh , P. Thomas Fletcher , Bernhard Schölkopf

Joint object matching, also known as multi-image matching, namely, the problem of finding consistent partial maps among all pairs of objects within a collection, is a crucial task in many areas of computer vision. This problem subsumes…

Optimization and Control · Mathematics 2022-11-29 Antonio De Rosa , Aida Khajavirad

Partial Label Learning (PLL) aims to learn from the data where each training example is associated with a set of candidate labels, among which only one is correct. The key to deal with such problem is to disambiguate the candidate label…

Machine Learning · Computer Science 2019-01-11 Gengyu Lyu , Songhe Feng , Tao Wang , Congyan Lang , Yidong Li

Recently, machine learning, particularly message-passing graph neural networks (MPNNs), has gained traction in enhancing exact optimization algorithms. For example, MPNNs speed up solving mixed-integer optimization problems by imitating…

Machine Learning · Computer Science 2023-10-17 Chendi Qian , Didier Chételat , Christopher Morris

Using symmetry as an inductive bias in deep learning has been proven to be a principled approach for sample-efficient model design. However, the relationship between symmetry and the imperative for equivariance in neural networks is not…

Machine Learning · Computer Science 2024-03-25 Sékou-Oumar Kaba , Siamak Ravanbakhsh

Employing equivariance in neural networks leads to greater parameter efficiency and improved generalization performance through the encoding of domain knowledge in the architecture; however, the majority of existing approaches require an a…

Machine Learning · Computer Science 2023-05-31 Emmanouil Theodosis , Karim Helwani , Demba Ba