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Recent advances in graph convolutional networks have significantly improved the performance of chemical predictions, raising a new research question: "how do we explain the predictions of graph convolutional networks?" A possible approach…

Machine Learning · Computer Science 2018-07-06 Hirotaka Akita , Kosuke Nakago , Tomoki Komatsu , Yohei Sugawara , Shin-ichi Maeda , Yukino Baba , Hisashi Kashima

Bidimensionality is the most common technique to design subexponential-time parameterized algorithms on special classes of graphs, particularly planar graphs. The core engine behind it is a combinatorial lemma of Robertson, Seymour and…

Data Structures and Algorithms · Computer Science 2019-03-05 Fedor V. Fomin , Daniel Lokshtanov , Fahad Panolan , Saket Saurabh , Meirav Zehavi

The $k$-vertex disjoint paths problem is one of the most studied problems in algorithmic graph theory. In 1994, Schrijver proved that the problem can be solved in polynomial time for every fixed $k$ when restricted to the class of planar…

Computational Complexity · Computer Science 2013-12-06 Saeed Amiri , Ali Golshani , Stephan Kreutzer , Sebastian Siebertz

We present analytical treatment of quantum walks on a cycle graph. The investigation is based on a realistic physical model of the graph in which decoherence is induced by continuous monitoring of each graph vertex with nearby quantum point…

Quantum Physics · Physics 2007-05-23 Dmitry Solenov , Leonid Fedichkin

The study of genome rearrangement has many flavours, but they all are somehow tied to edit distances on variations of a multi-graph called the breakpoint graph. We study a weighted 2-break distance on Eulerian 2-edge-colored multi-graphs,…

Data Structures and Algorithms · Computer Science 2018-10-24 Pijus Simonaitis , Annie Chateau , Krister M. Swenson

Applying machine learning to molecules is challenging because of their natural representation as graphs rather than vectors.Several architectures have been recently proposed for deep learning from molecular graphs, but they suffer from…

Machine Learning · Statistics 2020-09-15 Jaak Simm , Adam Arany , Edward De Brouwer , Yves Moreau

We address the problem of enumerating all maximal clique-partitions of an undirected graph and present an algorithm based on the observation that every maximal clique-partition can be produced from the maximal clique-cover of the graph by…

Discrete Mathematics · Computer Science 2023-09-26 Mircea Marin , Temur Kutsia , Cleo Pau , Mikheil Rukhaia

Realistic path planning applications often require optimizing with respect to several criteria simultaneously. Here we introduce an efficient algorithm for bi-criteria path planning on graphs. Our approach is based on augmenting the state…

We show that any complete $k$-partite graph $G$ on $n$ vertices, with $k \ge 3$, whose edges are two-coloured, can be covered with two vertex-disjoint monochromatic paths of distinct colours. We prove this under the necessary assumption…

Combinatorics · Mathematics 2014-10-08 Oliver Schaudt , Maya Stein

The spectral theory of quantum graphs is related via an exact trace formula with the spectrum of the lengths of periodic orbits (cycles) on the graphs. The latter is a degenerate spectrum, and understanding its structure (i.e.,finding out…

Mathematical Physics · Physics 2009-11-13 U. Gavish , U. Smilansky

There has been intensive work on the parameterized complexity of the typically NP-hard task to edit undirected graphs into graphs fulfilling certain given vertex degree constraints. In this work, we lift the investigations to the case of…

Discrete Mathematics · Computer Science 2018-02-01 Robert Bredereck , Vincent Froese , Marcel Koseler , Marcelo Garlet Millani , André Nichterlein , Rolf Niedermeier

The enumeration of chemical graphs is an important topic in cheminformatics and bioinformatics, particularly in the discovery of novel drugs. These graphs are typically either tree-like multigraphs or composed of tree-like multigraphs…

Discrete Mathematics · Computer Science 2025-02-11 Muhammad Ilyas , Seemab Hayat , Naveed Ahmed Azam

Upper bounds on the maximum number of minimal codewords in a binary code follow from the theory of matroids. Random coding provide lower bounds. In this paper we compare these bounds with analogous bounds for the cycle code of graphs. This…

Information Theory · Computer Science 2012-04-05 Adel Alahmadi , R. E. L. Aldred , Romar dela Cruz , Patrick Solé , Carsten Thomassen

Generative methods for graphs need to be sufficiently flexible to model complex dependencies between sets of nodes. At the same time, the generated graphs need to satisfy domain-dependent feasibility conditions, that is, they should not…

Machine Learning · Computer Science 2025-01-22 Stefan Mautner , Rolf Backofen , Fabrizio Costa

The chordal ring (CR) graphs are a well-known family of graphs used to model some interconnection networks for computer systems in which all nodes are in a cycle. Generalizing the CR graphs, in this paper, we introduce the families of…

Combinatorics · Mathematics 2024-09-04 M. A. Reyes , C. Dalfó , M. A. Fiol

Consider an acyclic directed network $G$ with sources $S_1, S_2,..., S_l$ and distinct sinks $R_1, R_2,..., R_l$. For $i=1, 2,..., l$, let $c_i$ denote the min-cut between $S_i$ and $R_i$. Then, by Menger's theorem, there exists a group of…

Information Theory · Computer Science 2013-01-10 Li Xu , Weiping Shang , Guangyue Han

Graphs are a natural representation of data from various contexts, such as social connections, the web, road networks, and many more. In the last decades, many of these networks have become enormous, requiring efficient algorithms to cut…

Data Structures and Algorithms · Computer Science 2021-08-11 Alexander Noe

We study the impact of forbidding short cycles to the edge density of $k$-planar graphs; a $k$-planar graph is one that can be drawn in the plane with at most $k$ crossings per edge. Specifically, we consider three settings, according to…

In this paper we design {\sf FPT}-algorithms for two parameterized problems. The first is \textsc{List Digraph Homomorphism}: given two digraphs $G$ and $H$ and a list of allowed vertices of $H$ for every vertex of $G$, the question is…

Data Structures and Algorithms · Computer Science 2015-09-25 Eunjung Kim , Christophe Paul , Ignasi Sau , Dimitrios M. Thilikos

The problems of computing eccentricity, radius, and diameter are fundamental to graph theory. These parameters are intrinsically defined based on the distance metric of the graph. In this work, we propose quantum algorithms for the diameter…

Quantum Physics · Physics 2025-02-28 Adam Wesołowski , Jinge Bao