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Graphs are ubiquitous data structures for representing interactions between entities. With an emphasis on the use of graphs to represent chemical molecules, we explore the task of learning to generate graphs that conform to a distribution…

Machine Learning · Computer Science 2019-03-08 Qi Liu , Miltiadis Allamanis , Marc Brockschmidt , Alexander L. Gaunt

We present a simple linear programming (LP) based method to learn compact and interpretable sets of rules encoding the facts in a knowledge graph (KG) and use these rules to solve the KG completion problem. Our LP model chooses a set of…

Artificial Intelligence · Computer Science 2023-03-07 Sanjeeb Dash , Joao Goncalves

We introduce an algorithm that conjectures the structure of a permutation class in the form of a disjoint cover of "rules"; similar to generalized grid classes. The cover is usually easily verified by a human and translated into an…

Combinatorics · Mathematics 2017-05-12 Christian Bean , Bjarki Gudmundsson , Henning Ulfarsson

Machine learning on graphs is an important and ubiquitous task with applications ranging from drug design to friendship recommendation in social networks. The primary challenge in this domain is finding a way to represent, or encode, graph…

Social and Information Networks · Computer Science 2018-04-11 William L. Hamilton , Rex Ying , Jure Leskovec

In this paper, we extend the sampling theory on graphs by constructing a framework that exploits the structure in product graphs for efficient sampling and recovery of bandlimited graph signals that lie on them. Product graphs are graphs…

Information Theory · Computer Science 2018-09-27 Rohan Varma , Jelena Kovačević

The generation of explanation graphs is a significant task that aims to produce explanation graphs in response to user input, revealing the internal reasoning process. This task is challenging due to the significant discrepancy between…

Computation and Language · Computer Science 2023-06-02 Han Cui , Shangzhan Li , Yu Zhang , Qi Shi

Recent work has shown that not only decision trees (DTs) may not be interpretable but also proposed a polynomial-time algorithm for computing one PI-explanation of a DT. This paper shows that for a wide range of classifiers, globally…

Artificial Intelligence · Computer Science 2021-06-24 Xuanxiang Huang , Yacine Izza , Alexey Ignatiev , Joao Marques-Silva

We investigate graph transformations, defined using Datalog-like rules based on acyclic conjunctive two-way regular path queries (acyclic C2RPQs), and we study two fundamental static analysis problems: type checking and equivalence of…

Databases · Computer Science 2023-04-21 Iovka Boneva , Benoit Groz , Jan Hidders , Filip Murlak , Slawomir Staworko

We develop a theory of confluence of graphs. We describe an algorithm for proving that a given system of reduction rules for abstract graphs and graphs in surfaces is locally confluent. We apply this algorithm to show that each simple Lie…

Quantum Algebra · Mathematics 2014-10-01 Adam S. Sikora , Bruce W. Westbury

A graph theoretic approach is proposed for object shape representation in a hierarchical compositional architecture called Compositional Hierarchy of Parts (CHOP). In the proposed approach, vocabulary learning is performed using a hybrid…

Computer Vision and Pattern Recognition · Computer Science 2015-01-26 Umit Rusen Aktas , Mete Ozay , Ales Leonardis , Jeremy L. Wyatt

Generating novel graph structures that optimize given objectives while obeying some given underlying rules is fundamental for chemistry, biology and social science research. This is especially important in the task of molecular graph…

Machine Learning · Computer Science 2019-02-26 Jiaxuan You , Bowen Liu , Rex Ying , Vijay Pande , Jure Leskovec

ZX-diagrams are a powerful graphical language for the description of quantum processes with applications in fundamental quantum mechanics, quantum circuit optimization, tensor network simulation, and many more. The utility of ZX-diagrams…

Quantum Physics · Physics 2024-10-01 Maximilian Nägele , Florian Marquardt

Graph transformation is the rule-based modification of graphs, and is a discipline dating back to the 1970s. In general, to match the left-hand graph of a fixed rule within a host graph requires polynomial time, but to improve matching…

Logic in Computer Science · Computer Science 2021-01-05 Graham Campbell , Detlef Plump

Simple conceptual graphs are considered as the kernel of most knowledge representation formalisms built upon Sowa's model. Reasoning in this model can be expressed by a graph homomorphism called projection, whose semantics is usually given…

Artificial Intelligence · Computer Science 2011-06-10 J. F. Baget , M. L. Mugnier

We show that the formalism of "Sum-Over-Path" (SOP), used for symbolically representing linear maps or quantum operators, together with a proper rewrite system, has a structure of dagger-compact PROP. Several consequences arise from this…

Quantum Physics · Physics 2020-03-13 Renaud Vilmart

A paradigm that was successfully applied in the study of both pure and algorithmic problems in graph theory can be colloquially summarized as stating that "any graph is close to being the disjoint union of expanders". Our goal in this paper…

Combinatorics · Mathematics 2015-02-03 Guy Moshkovitz , Asaf Shapira

Graphs are fundamental objects that find widespread applications across computer science and beyond. Graph Theory has yielded deep insights about structural properties of various families of graphs, which are leveraged in the design and…

Data Structures and Algorithms · Computer Science 2023-08-30 Rachit Nimavat

We address the problem of reasoning on graph transformations featuring actions such as \emph{addition} and \emph{deletion} of nodes and edges, node \emph{merging} and \emph{cloning}, node or edge \emph{labelling} and edge…

Logic in Computer Science · Computer Science 2018-03-08 Jon Haël Brenas , Rachid Echahed , Martin Strecker

Graph translation is very promising research direction and has a wide range of potential real-world applications. Graph is a natural structure for representing relationship and interactions, and its translation can encode the intrinsic…

Machine Learning · Computer Science 2021-03-17 Tianxiang Zhao , Xianfeng Tang , Xiang Zhang , Suhang Wang

{\em Algorithms with predictions} incorporate machine learning predictions into algorithm design. A plethora of recent works incorporated predictions to improve on worst-case optimal bounds for online problems. In this paper, we initiate…

Data Structures and Algorithms · Computer Science 2023-09-12 Monika Henzinger , Barna Saha , Martin P. Seybold , Christopher Ye