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A common problem of classical neural network architectures is that additional information or expert knowledge cannot be naturally integrated into the learning process. To overcome this limitation, we propose a two-step approach consisting…

Machine Learning · Computer Science 2024-06-17 Florian Seiffarth

The efficient parallel execution of complex computations requires balancing the workload across processors while minimizing the communication between them. This inherent trade-off is often captured by graph partitioning or DAG scheduling…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-05-04 Pál András Papp , Toni Böhnlein , A. N. Yzelman

Genetic Programming (GP) is known to suffer from the burden of being computationally expensive by design. While, over the years, many techniques have been developed to mitigate this issue, data vectorization, in particular, is arguably…

Neural and Evolutionary Computing · Computer Science 2021-06-23 Francisco Baeta , João Correia , Tiago Martins , Penousal Machado

The Internet routing protocol BGP expresses topological reachability and policy-based decisions simultaneously in path vectors. A complete view on the Internet backbone routing is given by the collection of all valid routes, which is…

Networking and Internet Architecture · Computer Science 2016-08-08 Johann Schlamp , Matthias Wählisch , Thomas C. Schmidt , Georg Carle , Ernst W. Biersack

In this paper we present an algorithmic framework for solving a class of combinatorial optimization problems on graphs with bounded pathwidth. The problems are NP-hard in general, but solvable in linear time on this type of graphs. The…

Data Structures and Algorithms · Computer Science 2012-12-18 Mugurel Ionut Andreica

As software becomes larger, programming languages become higher-level, and processors continue to fail to be clocked faster, we'll increasingly require compilers to reduce code bloat, eliminate abstraction penalties, and exploit interesting…

Programming Languages · Computer Science 2018-09-10 Nuno P. Lopes , John Regehr

The dramatic increase of complex, multi-step, and rapidly evolving attacks in dynamic networks involves advanced cyber-threat detectors. The GPML (Graph Processing for Machine Learning) library addresses this need by transforming raw…

Machine Learning · Computer Science 2025-05-15 Majed Jaber , Julien Michel , Nicolas Boutry , Pierre Parrend

Process mapping asks to assign vertices of a task graph to processing elements of a supercomputer such that the computational workload is balanced while the communication cost is minimized. Motivated by the recent success of GPU-based graph…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-03-16 Petr Samoldekin , Christian Schulz , Henning Woydt

Graph transformations are a powerful computational model for manipulating complex networks, but handling temporal aspects and scalability remain significant challenges. We present a novel approach to implementing these transformations using…

Databases · Computer Science 2025-03-04 Evgeny Skvortsov , Yilin Xia , Bertram Ludäscher , Shawn Bowers

Retrosynthesis prediction is one of the fundamental challenges in organic chemistry and related fields. The goal is to find reactants molecules that can synthesize product molecules. To solve this task, we propose a new graph-to-graph…

Quantitative Methods · Quantitative Biology 2022-04-20 Zaiyun Lin , Shiqiu Yin , Lei Shi , Wenbiao Zhou , YingSheng Zhang

Machine learning models made up of millions or billions of parameters are trained and served on large multi-GPU systems. As models grow in size and execute on more GPUs, the collective communications used in these applications become a…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-07-21 Meghan Cowan , Saeed Maleki , Madanlal Musuvathi , Olli Saarikivi , Yifan Xiong

Many real-world systems, such as social networks, rely on mining efficiently large graphs, with hundreds of millions of vertices and edges. This volume of information requires partitioning the graph across multiple nodes in a distributed…

Distributed, Parallel, and Cluster Computing · Computer Science 2013-09-11 Luis Vaquero , Felix Cuadrado , Dionysios Logothetis , Claudio Martella

GPCG is an algorithm within the Toolkit for Advanced Optimization (TAO) for solving bound constrained, convex quadratic problems. Originally developed by More' and Toraldo, this algorithm was designed for large-scale problems but had been…

Mathematical Software · Computer Science 2007-05-23 Steven J. Benson , Lois Curfman McInnes , Jorge J. Moré

There has been a growing interest in causal learning in recent years. Commonly used representations of causal structures, including Bayesian networks and structural equation models (SEM), take the form of directed acyclic graphs (DAGs). We…

Machine Learning · Computer Science 2025-11-20 Pavel Rytir , Ales Wodecki , Jakub Marecek

The representation of graphs is commonly based on the adjacency matrix concept. This formulation is the foundation of most algebraic and computational approaches to graph processing. The advent of deep learning language models offers a wide…

Artificial Intelligence · Computer Science 2025-12-16 Ezequiel Lopez-Rubio

Graph rewrite systems are powerful tools to model and study complex problems in various fields of research. Their successful application to chemical reaction modelling on a molecular level was shown but no appropriate and simple system is…

Mathematical Software · Computer Science 2013-04-05 Martin Mann , Heinz Ekker , Christoph Flamm

Graph similarity is critical in graph-related tasks such as graph retrieval, where metrics like maximum common subgraph (MCS) and graph edit distance (GED) are commonly used. However, exact computations of these metrics are known to be…

Machine Learning · Computer Science 2025-10-02 Zhouyang Liu , Yixin Chen , Ning Liu , Jiezhong He , Dongsheng Li

Many combinatorial optimization problems can be phrased in the language of constraint satisfaction problems. We introduce a graph neural network architecture for solving such optimization problems. The architecture is generic; it works for…

Artificial Intelligence · Computer Science 2020-02-12 Jan Toenshoff , Martin Ritzert , Hinrikus Wolf , Martin Grohe

We target the problem of provably computing the equivalence between two complex expression trees. To this end, we formalize the problem of equivalence between two such programs as finding a set of semantics-preserving rewrite rules from one…

Programming Languages · Computer Science 2021-06-10 Steve Kommrusch , Théo Barollet , Louis-Noël Pouchet

Graph Neural Networks (GNNs) have emerged as a powerful and flexible framework for representation learning on irregular data. As they generalize the operations of classical CNNs on grids to arbitrary topologies, GNNs also bring much of the…

Machine Learning · Computer Science 2021-03-31 Mehdi Bahri , Gaétan Bahl , Stefanos Zafeiriou