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We develop a general approach to distill symbolic representations of a learned deep model by introducing strong inductive biases. We focus on Graph Neural Networks (GNNs). The technique works as follows: we first encourage sparse latent…

Machine Learning · Computer Science 2020-11-19 Miles Cranmer , Alvaro Sanchez-Gonzalez , Peter Battaglia , Rui Xu , Kyle Cranmer , David Spergel , Shirley Ho

Not only are Deep Neural Networks (DNNs) black box models, but also we frequently conceptualize them as such. We lack good interpretations of the mechanisms linking inputs to outputs. Therefore, we find it difficult to analyze in…

Machine Learning · Computer Science 2020-06-29 Christopher Snyder , Sriram Vishwanath

Due to their high energy intensity, buildings play a major role in the current worldwide energy transition. Building models are ubiquitous since they are needed at each stage of the life of buildings, i.e. for design, retrofitting, and…

Machine Learning · Computer Science 2022-07-12 Loris Di Natale , Bratislav Svetozarevic , Philipp Heer , Colin N. Jones

Rapid development of big data and high-performance computing have encouraged explosive studies of deep learning in geoscience. However, most studies only take single-type data as input, frittering away invaluable multisource, multi-scale…

Machine Learning · Computer Science 2020-05-19 Zhenyu Yuan , Yuxin Jiang , Jingjing Li , Handong Huang

Modeling of conservative systems with neural networks is an area of active research. A popular approach is to use Hamiltonian neural networks (HNNs) which rely on the assumptions that a conservative system is described with Hamilton's…

Artificial Intelligence · Computer Science 2024-07-18 Katsiaryna Haitsiukevich , Alexander Ilin

Deep neural networks (DNNs) transform stimuli across multiple processing stages to produce representations that can be used to solve complex tasks, such as object recognition in images. However, a full understanding of how they achieve this…

Neurons and Cognition · Quantitative Biology 2018-11-01 David G. T. Barrett , Ari S. Morcos , Jakob H. Macke

The robotic systems continuously interact with complex dynamical systems in the physical world. Reliable predictions of spatiotemporal evolution of these dynamical systems, with limited knowledge of system dynamics, are crucial for…

Artificial Intelligence · Computer Science 2019-01-08 Yun Long , Xueyuan She , Saibal Mukhopadhyay

We present a differentiable soft-body physics simulator that can be composed with neural networks as a differentiable layer. In contrast to other differentiable physics approaches that use explicit forward models to define state…

Machine Learning · Computer Science 2021-09-13 Junior Rojas , Eftychios Sifakis , Ladislav Kavan

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

We introduce Neural Dynamical Systems (NDS), a method of learning dynamical models in various gray-box settings which incorporates prior knowledge in the form of systems of ordinary differential equations. NDS uses neural networks to…

Distributed deep neural networks (DNNs) have become a cornerstone for scaling machine learning to meet the demands of increasingly complex applications. However, the rapid growth in model complexity far outpaces CMOS technology scaling,…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-06-12 Jonas Svedas , Hannah Watson , Nathan Laubeuf , Diksha Moolchandani , Abubakr Nada , Arjun Singh , Dwaipayan Biswas , James Myers , Debjyoti Bhattacharjee

Deep neural networks (DNNs) have found applications in diverse signal processing (SP) problems. Most efforts either directly adopt the DNN as a black-box approach to perform certain SP tasks without taking into account of any known…

Signal Processing · Electrical Eng. & Systems 2022-04-27 Zhe Zhang , Xiang Chen , Zhi Tian

The implicit solvent approach offers a computationally efficient framework to model solvation effects in molecular simulations. However, its accuracy often falls short compared to explicit solvent models, limiting its use in precise…

Scientific modeling faces a tradeoff between the interpretability of mechanistic theory and the predictive power of machine learning. While existing hybrid approaches have made progress by incorporating domain knowledge into machine…

Machine Learning · Computer Science 2026-04-15 Carson Dudley , Reiden Magdaleno , Christopher Harding , Marisa Eisenberg

In the context of the energy transition, with increasing integration of renewable sources and cross-border electricity exchanges, power grids are encountering greater uncertainty and operational risk. Maintaining grid stability under…

Machine Learning · Computer Science 2025-09-24 Milad Leyli-abadi , Antoine Marot , Jérôme Picault

The rapid evolution of machine learning (ML) has led to the widespread adoption of complex "black box" models, such as deep neural networks and ensemble methods. These models exhibit exceptional predictive performance, making them…

Machine Learning · Computer Science 2025-03-28 Moncef Garouani , Josiane Mothe , Ayah Barhrhouj , Julien Aligon

Substitution of well-grounded theoretical models by data-driven predictions is not as simple in engineering and sciences as it is in social and economic fields. Scientific problems suffer most times from paucity of data, while they may…

Machine Learning · Computer Science 2020-11-18 Jacobo Ayensa-Jiménez , Mohamed H. Doweidar , Jose Antonio Sanz-Herrera , Manuel Doblaré

We introduce \emph{Dynamical Physics-Modeled Neural Networks} (DynPMNNs), a continuous-time deep learning architecture in which each hidden layer is defined as the solution of an ordinary differential equation. Unlike classical feed-forward…

Machine Learning · Computer Science 2026-05-12 Raul Felipe-Sosa , Angel Martin del Rey , Maria Flores Ceballos

While physics conveys knowledge of nature built from an interplay between observations and theory, it has been considered less importantly in deep neural networks. Especially, there are few works leveraging physics behaviors when the…

Machine Learning · Computer Science 2019-02-12 Sungyong Seo , Yan Liu

The control of high-dimensional systems, such as soft robots, requires models that faithfully capture complex dynamics while remaining computationally tractable. This work presents a framework that integrates Graph Neural Network…