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Related papers: Constraint-based graph network simulator

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We present a novel approach to modelling and learning vector fields from physical systems using neural networks that explicitly satisfy known linear operator constraints. To achieve this, the target function is modelled as a linear…

Machine Learning · Statistics 2021-04-29 Johannes Hendriks , Carl Jidling , Adrian Wills , Thomas Schön

We propose a new family of neural networks to predict the behaviors of physical systems by learning their underpinning constraints. A neural projection operator lies at the heart of our approach, composed of a lightweight network with an…

Neural and Evolutionary Computing · Computer Science 2020-12-15 Shuqi Yang , Xingzhe He , Bo Zhu

Many machine learning applications require outputs that satisfy complex, dynamic constraints. This task is particularly challenging in Graph Neural Network models due to the variable output sizes of graph-structured data. In this paper, we…

Machine Learning · Computer Science 2025-10-14 Ahmed Rashwan , Keith Briggs , Chris Budd , Lisa Kreusser

Graph Neural Networks (GNN) rely on graph convolutions to learn features from network data. GNNs are stable to different types of perturbations of the underlying graph, a property that they inherit from graph filters. In this paper we…

Machine Learning · Computer Science 2022-02-11 Juan Cervino , Luana Ruiz , Alejandro Ribeiro

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

Graph learning from data represents a canonical problem that has received substantial attention in the literature. However, insufficient work has been done in incorporating prior structural knowledge onto the learning of underlying…

Machine Learning · Statistics 2019-04-23 Sandeep Kumar , Jiaxi Ying , José Vinícius de M. Cardoso , Daniel Palomar

We propose a method for efficiently incorporating constraints into a stochastic gradient Langevin framework for the training of deep neural networks. Constraints allow direct control of the parameter space of the model. Appropriately…

Machine Learning · Computer Science 2021-06-22 Benedict Leimkuhler , Timothée Pouchon , Tiffany Vlaar , Amos Storkey

Here we present a machine learning framework and model implementation that can learn to simulate a wide variety of challenging physical domains, involving fluids, rigid solids, and deformable materials interacting with one another. Our…

Machine Learning · Computer Science 2020-09-15 Alvaro Sanchez-Gonzalez , Jonathan Godwin , Tobias Pfaff , Rex Ying , Jure Leskovec , Peter W. Battaglia

As machine learning models, specifically neural networks, are becoming increasingly popular, there are concerns regarding their trustworthiness, specially in safety-critical applications, e.g. actions of an autonomous vehicle must be safe.…

Machine Learning · Computer Science 2023-12-15 Kshitij Goyal , Sebastijan Dumancic , Hendrik Blockeel

The significance of learning constraints from data is underscored by its potential applications in real-world problem-solving. While constraints are popular for modeling and solving, the approaches to learning constraints from data remain…

Machine Learning · Computer Science 2024-03-05 Eduardo Vyhmeister , Rocio Paez , Gabriel Gonzalez

Data driven models of dynamical systems help planners and controllers to provide more precise and accurate motions. Most model learning algorithms will try to minimize a loss function between the observed data and the model's predictions.…

Artificial Intelligence · Computer Science 2021-02-12 Clark Zhang , Santiago Paternain , Alejandro Ribeiro

Mesh-based simulations are central to modeling complex physical systems in many disciplines across science and engineering. Mesh representations support powerful numerical integration methods and their resolution can be adapted to strike…

Machine Learning · Computer Science 2021-06-21 Tobias Pfaff , Meire Fortunato , Alvaro Sanchez-Gonzalez , Peter W. Battaglia

Machine learning models are widely used for real-world applications, such as document analysis and vision. Constrained machine learning problems are problems where learned models have to both be accurate and respect constraints. For…

Machine Learning · Computer Science 2021-12-03 Guillaume Perez , Sebastian Ament , Carla Gomes , Arnaud Lallouet

Neural networks are increasingly used in complex (data-driven) simulations as surrogates or for accelerating the computation of classical surrogates. In many applications physical constraints, such as mass or energy conservation, must be…

Computational Physics · Physics 2020-02-25 Jim Magiera , Deep Ray , Jan S. Hesthaven , Christian Rohde

Neural network modules conditioned by known priors can be effectively trained and combined to represent systems with nonlinear dynamics. This work explores a novel formulation for data-efficient learning of deep control-oriented nonlinear…

Dynamical Systems · Mathematics 2021-01-07 Elliott Skomski , Soumya Vasisht , Colby Wight , Aaron Tuor , Jan Drgona , Draguna Vrabie

Simulating object deformations is a critical challenge across many scientific domains, including robotics, manufacturing, and structural mechanics. Learned Graph Network Simulators (GNSs) offer a promising alternative to traditional…

Combinatorial optimization problems are typically tackled by the branch-and-bound paradigm. We propose a new graph convolutional neural network model for learning branch-and-bound variable selection policies, which leverages the natural…

Machine Learning · Computer Science 2019-10-31 Maxime Gasse , Didier Chételat , Nicola Ferroni , Laurent Charlin , Andrea Lodi

Optimization problems over dynamic networks have been extensively studied and widely used in the past decades to formulate numerous real-world problems. However, (1) traditional optimization-based approaches do not scale to large networks,…

Machine Learning · Computer Science 2023-05-17 Daniele Gammelli , James Harrison , Kaidi Yang , Marco Pavone , Filipe Rodrigues , Francisco C. Pereira

This paper presents the input convex neural network architecture. These are scalar-valued (potentially deep) neural networks with constraints on the network parameters such that the output of the network is a convex function of (some of)…

Machine Learning · Computer Science 2017-06-15 Brandon Amos , Lei Xu , J. Zico Kolter

Simulation-Grounded Neural Networks (SGNNs) are predictive models trained entirely on synthetic data from mechanistic simulations. They have achieved state-of-the-art performance in domains where real-world labels are limited or unobserved,…

Machine Learning · Computer Science 2025-10-03 Carson Dudley , Marisa Eisenberg
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