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Learning dynamical systems that respect physical symmetries and constraints remains a fundamental challenge in data-driven modeling. Integrating physical laws with graph neural networks facilitates principled modeling of complex N-body…

Machine Learning · Computer Science 2026-04-16 Atamert Rahma , Chinmay Datar , Ana Cukarska , Felix Dietrich

Combinatorial optimization algorithms for graph problems are usually designed afresh for each new problem with careful attention by an expert to the problem structure. In this work, we develop a new framework to solve any combinatorial…

In Nature Machine Intelligence 4, 367 (2022), Schuetz et al provide a scheme to employ graph neural networks (GNN) as a heuristic to solve a variety of classical, NP-hard combinatorial optimization problems. It describes how the network is…

Disordered Systems and Neural Networks · Physics 2023-01-03 Stefan Boettcher

The semi-random graph process is an adaptive random graph process in which an online algorithm is initially presented an empty graph on $n$ vertices. In each round, a vertex $u$ is presented to the algorithm independently and uniformly at…

Combinatorics · Mathematics 2024-12-24 Alan Frieze , Pu Gao , Calum MacRury , Paweł Prałat , Gregory Sorkin

Link prediction is a fundamental task in graph learning, inherently shaped by the topology of the graph. While traditional heuristics are grounded in graph topology, they encounter challenges in generalizing across diverse graphs. Recent…

Machine Learning · Computer Science 2024-06-18 Juzheng Zhang , Lanning Wei , Zhen Xu , Quanming Yao

Graph Neural Networks (GNNs) are a powerful representational tool for solving problems on graph-structured inputs. In almost all cases so far, however, they have been applied to directly recovering a final solution from raw inputs, without…

Machine Learning · Statistics 2020-01-16 Petar Veličković , Rex Ying , Matilde Padovano , Raia Hadsell , Charles Blundell

The rapid growth of research in exploiting machine learning to predict chaotic systems has revived a recent interest in Hamiltonian Neural Networks (HNNs) with physical constraints defined by the Hamilton's equations of motion, which…

Machine Learning · Computer Science 2021-06-02 Chen-Di Han , Bryan Glaz , Mulugeta Haile , Ying-Cheng Lai

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

Neural networks that synergistically integrate data and physical laws offer great promise in modeling dynamical systems. However, iterative gradient-based optimization of network parameters is often computationally expensive and suffers…

Machine Learning · Computer Science 2026-04-16 Atamert Rahma , Chinmay Datar , Felix Dietrich

There has been a wave of interest in applying machine learning to study dynamical systems. We present a Hamiltonian neural network that solves the differential equations that govern dynamical systems. This is an equation-driven machine…

Computational Physics · Physics 2022-07-01 Marios Mattheakis , David Sondak , Akshunna S. Dogra , Pavlos Protopapas

Backtracking has been widely used for solving problems in artificial intelligence (AI), including constraint satisfaction problems and combinatorial optimization problems. Good branching heuristics can efficiently improve the performance of…

Artificial Intelligence · Computer Science 2022-11-29 Congsong Zhang , Yong Gao , James Nastos

In order to find Hamiltonian cycle, algorithm should find edges that creates a Hamiltonian cycle. Higher number of edges creates more possibilities to check to solve the problem. Algorithm rests on analysis of original graph and opposite…

Data Structures and Algorithms · Computer Science 2022-08-25 Paweł Kaftan

Graph Neural Networks (GNNs) have shown success in learning from graph-structured data, with applications to fraud detection, recommendation, and knowledge graph reasoning. However, training GNN efficiently is challenging because: 1) GPU…

Machine Learning · Computer Science 2021-11-12 Seung Won Min , Kun Wu , Mert Hidayetoğlu , Jinjun Xiong , Xiang Song , Wen-mei Hwu

Much combinatorial optimisation problems constitute a non-polynomial (NP) hard optimisation problem, i.e., they can not be solved in polynomial time. One such problem is finding the shortest route between two nodes on a graph.…

Machine Learning · Statistics 2017-09-08 Alessandro Bay , Biswa Sengupta

We demonstrate that a single training trajectory can transform a graph neural network into an unsupervised heuristic for combinatorial optimization. Focusing on the Travelling Salesman Problem, we show that encoding global structural…

Artificial Intelligence · Computer Science 2026-02-03 Yimeng Min , Carla P. Gomes

Given a network, the critical node detection problem finds a subset of nodes whose removal disrupts the network connectivity. Since many real-world systems are naturally modeled as graphs, assessing the vulnerability of the network is…

Discrete Mathematics · Computer Science 2025-12-02 Tuguldur Bayarsaikhan , Altannar Chinchuluun , Ashwin Arulselvan , Panos Pardalos

The graph coloring problem asks for an assignment of the minimum number of distinct colors to vertices in an undirected graph with the constraint that no pair of adjacent vertices share the same color. The problem is a thoroughly studied…

Machine Learning · Computer Science 2024-08-12 Kenneth Langedal , Fredrik Manne

We study Hamiltonicity in graphs obtained as the union of a deterministic $n$-vertex graph $H$ with linear degrees and a $d$-dimensional random geometric graph $G^d(n,r)$, for any $d\geq1$. We obtain an asymptotically optimal bound on the…

Combinatorics · Mathematics 2022-09-29 Alberto Espuny Díaz

We present a learning-based approach to computing solutions for certain NP-hard problems. Our approach combines deep learning techniques with useful algorithmic elements from classic heuristics. The central component is a graph…

Machine Learning · Computer Science 2018-10-26 Zhuwen Li , Qifeng Chen , Vladlen Koltun

Representing and learning from graphs is essential for developing effective machine learning models tailored to non-Euclidean data. While Graph Neural Networks (GNNs) strive to address the challenges posed by complex, high-dimensional graph…

Quantum Physics · Physics 2025-01-15 Wenxuan Wang
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