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Graph neural networks (GNNs) have been widely used in representation learning on graphs and achieved superior performance in tasks such as node classification. However, analyzing heterogeneous graph of different types of nodes and links…

Machine Learning · Computer Science 2021-01-08 Shin-woo Park , Byung Jun Bae , Jinyoung Yeo , Seung-won Hwang

We revisit the method of small subgraph conditioning, used to establish that random regular graphs are Hamiltonian a.a.s. We refine this method using new technical machinery for random $d$-regular graphs on $n$ vertices that hold not just…

Probability · Mathematics 2015-05-25 Tobias Johnson , Elliot Paquette

Learning an algorithm from examples is a fundamental problem that has been widely studied. Recently it has been addressed using neural networks, in particular by Neural Turing Machines (NTMs). These are fully differentiable computers that…

Machine Learning · Computer Science 2016-03-16 Łukasz Kaiser , Ilya Sutskever

This study proposes a hybrid deep-learning-metaheuristic framework with a bi-level architecture for road network design problems (NDPs). We train a graph neural network (GNN) to approximate the solution of the user equilibrium (UE) traffic…

Neural and Evolutionary Computing · Computer Science 2023-12-12 Bahman Madadi , Goncalo Homem de Almeida Correia

Accurate long-range prediction of geophysical systems is difficult due to strongly nonlinear dynamics, the high computational cost of full-physics simulations, and the error accumulation that arise when one-step autoregressive surrogates…

Machine Learning · Computer Science 2026-05-29 Zesheng Liu , Maryam Rahnemoonfar

Current graph neural networks (GNNs) lack generalizability with respect to scales (graph sizes, graph diameters, edge weights, etc..) when solving many graph analysis problems. Taking the perspective of synthesizing graph theory programs,…

Machine Learning · Computer Science 2020-10-27 Hao Tang , Zhiao Huang , Jiayuan Gu , Bao-Liang Lu , Hao Su

In this paper we present the first deterministic polynomial time algorithm for determining the existence of a Hamiltonian cycle and finding a Hamiltonian cycle in general graphs. Our algorithm can also solve the Hamiltonian path problem in…

Data Structures and Algorithms · Computer Science 2022-07-12 Aimin Hou

The Hamiltonian formalism plays a central role in classical and quantum physics. Hamiltonians are the main tool for modelling the continuous time evolution of systems with conserved quantities, and they come equipped with many useful…

Machine Learning · Computer Science 2020-02-17 Peter Toth , Danilo Jimenez Rezende , Andrew Jaegle , Sébastien Racanière , Aleksandar Botev , Irina Higgins

We perform a massive evaluation of neural networks with architectures corresponding to random graphs of various types. We investigate various structural and numerical properties of the graphs in relation to neural network test accuracy. We…

Machine Learning · Computer Science 2020-12-03 Romuald A. Janik , Aleksandra Nowak

Conventional neural networks are universal function approximators, but because they are unaware of underlying symmetries or physical laws, they may need impractically many training data to approximate nonlinear dynamics. Recently introduced…

Machine Learning · Computer Science 2020-10-30 Anshul Choudhary , John F. Lindner , Elliott G. Holliday , Scott T. Miller , Sudeshna Sinha , William L. Ditto

We introduce a new setting of algorithmic problems in random graphs, studying the minimum number of queries one needs to ask about the adjacency between pairs of vertices of ${\mathcal G}(n,p)$ in order to typically find a subgraph…

Combinatorics · Mathematics 2016-08-05 Asaf Ferber , Michael Krivelevich , Benny Sudakov , Pedro Vieira

Modeling of conservative systems with neural networks is an area of active research. A popular approach is to use Hamiltonian neural networks (HNNs) which rely on the assumptions that a conservative system is described with Hamilton's…

Artificial Intelligence · Computer Science 2024-07-18 Katsiaryna Haitsiukevich , Alexander Ilin

In the graph node embedding problem, embedding spaces can vary significantly for different data types, leading to the need for different GNN model types. In this paper, we model the embedding update of a node feature as a Hamiltonian orbit…

Machine Learning · Computer Science 2023-05-31 Qiyu Kang , Kai Zhao , Yang Song , Sijie Wang , Wee Peng Tay

Path finding in graphs is one of the most studied classes of problems in computer science. In this context, search algorithms are often extended with heuristics for a more efficient search of target nodes. In this work we combine recent…

Artificial Intelligence · Computer Science 2022-04-20 Danilo Numeroso , Davide Bacciu , Petar Veličković

The notion of treewidth, introduced by Robertson and Seymour in their seminal Graph Minors series, turned out to have tremendous impact on graph algorithmics. Many hard computational problems on graphs turn out to be efficiently solvable in…

Data Structures and Algorithms · Computer Science 2019-09-24 Michał Ziobro , Marcin Pilipczuk

Seminal works on graph neural networks have primarily targeted semi-supervised node classification problems with few observed labels and high-dimensional signals. With the development of graph networks, this setup has become a de facto…

Social and Information Networks · Computer Science 2020-02-11 Clément Vignac , Guillermo Ortiz-Jiménez , Pascal Frossard

Traditionally, graph neural networks have been trained using a single observed graph. However, the observed graph represents only one possible realization. In many applications, the graph may encounter uncertainties, such as having…

Machine Learning · Computer Science 2024-10-10 See Hian Lee , Feng Ji , Kelin Xia , Wee Peng Tay

Finding Hamitonian Cycles in square grid graphs is a well studied and important questions. More recent work has extended these results to triangular and hexagonal grids, as well as further restricted versions. In this paper, we examine a…

Computational Complexity · Computer Science 2018-05-09 Kaiying Hou , Jayson Lynch

Graph Neural Networks (GNNs) have achieved remarkable success across diverse tasks on graph-structured data, primarily through the use of learned weights in message passing layers. In this paper, we demonstrate that random weights can be…

Machine Learning · Computer Science 2025-02-04 Thu Bui , Carola-Bibiane Schönlieb , Bruno Ribeiro , Beatrice Bevilacqua , Moshe Eliasof

Machine learning methods are widely used in the natural sciences to model and predict physical systems from observation data. Yet, they are often used as poorly understood "black boxes," disregarding existing mathematical structure and…

Machine Learning · Computer Science 2023-10-24 Marco David , Florian Méhats