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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

Networks are a powerful tool to model complex systems, and the definition of many Graph Neural Networks (GNN), Deep Learning algorithms that can handle networks, has opened a new way to approach many real-world problems that would be hardly…

Machine Learning · Computer Science 2021-09-28 Marco Grassia , Manlio De Domenico , Giuseppe Mangioni

While deep learning has achieved remarkable success across a wide range of applications, its theoretical understanding of representation learning remains limited. Deep neural kernels provide a principled framework to interpret…

Machine Learning · Computer Science 2025-11-11 Yong-Ming Tian , Shuang Liang , Shao-Qun Zhang , Feng-Lei Fan

Inferring topological and geometrical information from data can offer an alternative perspective on machine learning problems. Methods from topological data analysis, e.g., persistent homology, enable us to obtain such information,…

Computer Vision and Pattern Recognition · Computer Science 2018-02-19 Christoph Hofer , Roland Kwitt , Marc Niethammer , Andreas Uhl

Deep learning models are often considered black boxes due to their complex hierarchical transformations. Identifying suitable architectures is crucial for maximizing predictive performance with limited data. Understanding the geometric…

Machine Learning · Computer Science 2025-03-11 Michael Wienczkowski , Addisu Desta , Paschal Ugochukwu

Designing mechanically efficient geometry for architectural structures like shells, towers, and bridges, is an expensive iterative process. Existing techniques for solving such inverse problems rely on traditional optimization methods,…

Computational Engineering, Finance, and Science · Computer Science 2025-03-18 Rafael Pastrana , Eder Medina , Isabel M. de Oliveira , Sigrid Adriaenssens , Ryan P. Adams

Neural networks are computing models that have been leading progress in Machine Learning (ML) and Artificial Intelligence (AI) applications. In parallel, the first small scale quantum computing devices have become available in recent years,…

Quantum Physics · Physics 2021-05-21 Stefano Mangini , Francesco Tacchino , Dario Gerace , Daniele Bajoni , Chiara Macchiavello

In all but the most trivial optimization problems, the structure of the solutions exhibit complex interdependencies between the input parameters. Decades of research with stochastic search techniques has shown the benefit of explicitly…

Neural and Evolutionary Computing · Computer Science 2017-03-23 Shumeet Baluja

More than two decades ago, combinatorial topology was shown to be useful for analyzing distributed fault-tolerant algorithms in shared memory systems and in message passing systems. In this work, we show that combinatorial topology can also…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-10-05 Armando Castañeda , Pierre Fraigniaud , Ami Paz , Sergio Rajsbaum , Matthieu Roy , Corentin Travers

Almost all neural architecture search methods are evaluated in terms of performance (i.e. test accuracy) of the model structures that it finds. Should it be the only metric for a good autoML approach? To examine aspects beyond performance,…

Machine Learning · Computer Science 2020-03-04 Stefano Alletto , Shenyang Huang , Vincent Francois-Lavet , Yohei Nakata , Guillaume Rabusseau

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

We present probabilistic neural programs, a framework for program induction that permits flexible specification of both a computational model and inference algorithm while simultaneously enabling the use of deep neural networks.…

Neural and Evolutionary Computing · Computer Science 2016-12-05 Kenton W. Murray , Jayant Krishnamurthy

The use of machine learning algorithms to investigate phase transitions in physical systems is a valuable way to better understand the characteristics of these systems. Neural networks have been used to extract information of phases and…

Neural and Evolutionary Computing · Computer Science 2025-10-21 Rodrigo Carmo Terin , Zochil González Arenas , Roberto Santana

The abstraction of musical structures (notes, melodies, chords, harmonic or rhythmic progressions, etc.) as mathematical objects in a geometrical space is one of the great accomplishments of contemporary music theory. Building on this…

Sound · Computer Science 2019-05-07 Marco Buongiorno Nardelli

A new method to solve computationally challenging (random) parametric obstacle problems is developed and analyzed, where the parameters can influence the related partial differential equation (PDE) and determine the position and surface…

Machine Learning · Computer Science 2025-04-08 Martin Eigel , Cosmas Heiß , Janina E. Schütte

Deep neural networks (NN) have achieved great success in many applications. However, why do deep neural networks obtain good generalization at an over-parameterization regime is still unclear. To better understand deep NN, we establish the…

Machine Learning · Statistics 2021-12-02 Yueming Lyu , Ivor Tsang

Deep Neural Networks (DNNs) can be represented as graphs whose links and vertices iteratively process data and solve tasks sub-optimally. Complex Network Theory (CNT), merging statistical physics with graph theory, provides a method for…

Machine Learning · Computer Science 2024-04-19 Emanuele La Malfa , Gabriele La Malfa , Giuseppe Nicosia , Vito Latora

Various topological techniques and tools have been applied to neural networks in terms of network complexity, explainability, and performance. One fundamental assumption of this line of research is the existence of a global (Euclidean)…

Machine Learning · Computer Science 2022-01-02 Dongfang Zhao

The goal of this thesis is to develop the optimisation and generalisation theoretic foundations of learning in artificial neural networks. On optimisation, a new theoretical framework is proposed for deriving architecture-dependent…

Neural and Evolutionary Computing · Computer Science 2022-10-20 Jeremy Bernstein

Machine learning tasks are generally formulated as optimization problems, where one searches for an optimal function within a certain functional space. In practice, parameterized functional spaces are considered, in order to be able to…

Artificial Intelligence · Computer Science 2024-12-13 Manon Verbockhaven , Sylvain Chevallier , Guillaume Charpiat , Théo Rudkiewicz
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