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We introduce a deep neural network to model in a symmetry preserving way the environmental dependence of the centers of the electronic charge. The model learns from ab-initio density functional theory, wherein the electronic centers are…

Computational Physics · Physics 2020-07-29 Linfeng Zhang , Mohan Chen , Xifan Wu , Han Wang , Weinan E , Roberto Car

Employing deep neural networks as natural image priors to solve inverse problems either requires large amounts of data to sufficiently train expressive generative models or can succeed with no data via untrained neural networks. However,…

Machine Learning · Computer Science 2019-10-25 Oscar Leong , Wesam Sakla

Deep neural networks are applied in more and more areas of everyday life. However, they still lack essential abilities, such as robustly dealing with spatially transformed input signals. Approaches to mitigate this severe robustness issue…

Machine Learning · Computer Science 2024-05-28 Johann Schmidt , Sebastian Stober

This paper introduces a novel approach to solve inverse problems by leveraging deep learning techniques. The objective is to infer unknown parameters that govern a physical system based on observed data. We focus on scenarios where the…

Machine Learning · Computer Science 2023-10-02 Sidney Besnard , Frédéric Jurie , Jalal M. Fadili

We present a novel approach for training deep neural networks in a Bayesian way. Classical, i.e. non-Bayesian, deep learning has two major drawbacks both originating from the fact that network parameters are considered to be deterministic.…

Machine Learning · Statistics 2019-03-11 Konstantin Posch , Jan Steinbrener , Jürgen Pilz

We examine a class of deep learning models with a tractable method to compute information-theoretic quantities. Our contributions are three-fold: (i) We show how entropies and mutual informations can be derived from heuristic statistical…

Machine Learning · Computer Science 2020-01-22 Marylou Gabrié , Andre Manoel , Clément Luneau , Jean Barbier , Nicolas Macris , Florent Krzakala , Lenka Zdeborová

We study inverse reinforcement learning (IRL) and imitation learning (IM), the problems of recovering a reward or policy function from expert's demonstrated trajectories. We propose a new way to improve the learning process by adding a…

Machine Learning · Computer Science 2022-08-23 The Viet Bui , Tien Mai , Patrick Jaillet

\textit{Graph neural networks} (GNNs) are effective models for many dynamical systems consisting of entities and relations. Although most GNN applications assume a single type of entity and relation, many situations involve multiple types…

Machine Learning · Computer Science 2023-10-12 Ferran Alet , Erica Weng , Tomás Lozano Pérez , Leslie Pack Kaelbling

We present an analysis of predictive uncertainty based out-of-distribution detection for different approaches to estimate various models' epistemic uncertainty and contrast it with extreme value theory based open set recognition. While the…

Machine Learning · Computer Science 2019-08-27 Martin Mundt , Iuliia Pliushch , Sagnik Majumder , Visvanathan Ramesh

In many tasks, in particular in natural science, the goal is to determine hidden system parameters from a set of measurements. Often, the forward process from parameter- to measurement-space is a well-defined function, whereas the inverse…

We present a novel class of Physics-Informed Neural Networks that is formulated based on the principles of Evidential Deep Learning, where the model incorporates uncertainty quantification by learning parameters of a higher-order…

Machine Learning · Computer Science 2025-01-28 Hai Siong Tan , Kuancheng Wang , Rafe McBeth

Human inertial thinking schemes can be formed through learning, which are then applied to quickly solve similar problems later. However, when problems are significantly different, inertial thinking generally presents the solutions that are…

Machine Learning · Computer Science 2018-03-02 Li Huihui , Wen Guihua

An Ising machine is any hardware specifically designed for finding the ground state of the Ising model. Relevant examples are coherent Ising machines and quantum annealers. In this paper, we propose a new machine learning model that is…

Machine Learning · Computer Science 2024-03-26 Ludwig Schmid , Enrico Zardini , Davide Pastorello

Many challenging image processing tasks can be described by an ill-posed linear inverse problem: deblurring, deconvolution, inpainting, compressed sensing, and superresolution all lie in this framework. Traditional inverse problem solvers…

Computer Vision and Pattern Recognition · Computer Science 2019-06-05 Davis Gilton , Greg Ongie , Rebecca Willett

Sparsity-based methods have a long history in the field of signal processing and have been successfully applied to various image reconstruction problems. The involved sparsifying transformations or dictionaries are typically either…

Image and Video Processing · Electrical Eng. & Systems 2022-06-10 Andreas Kofler , Christian Wald , Tobias Schaeffter , Markus Haltmeier , Christoph Kolbitsch

The Ising model was originally developed to model magnetisation of solids in statistical physics. As a network of binary variables with the probability of becoming 'active' depending only on direct neighbours, the Ising model appears…

Statistics Theory · Mathematics 2018-07-31 Lourens Waldorp , Maarten Marsman , Gunter Maris

The closure problem in fluid modeling is a well-known challenge to modelers aiming to accurately describe their system of interest. Over many years, analytic formulations in a wide range of regimes have been presented but a practical,…

Computational Physics · Physics 2020-08-26 Romit Maulik , Nathan A. Garland , Xian-Zhu Tang , Prasanna Balaprakash

A leading hypothesis for the surprising generalization of neural networks is that the dynamics of gradient descent bias the model towards simple solutions, by searching through the solution space in an incremental order of complexity. We…

Machine Learning · Computer Science 2020-01-01 Daniel Gissin , Shai Shalev-Shwartz , Amit Daniely

Inverse reinforcement learning (IRL) infers a reward function from demonstrations, allowing for policy improvement and generalization. However, despite much recent interest in IRL, little work has been done to understand the minimum set of…

Machine Learning · Computer Science 2019-08-19 Daniel S. Brown , Scott Niekum

We consider the task of solving generic inverse problems, where one wishes to determine the hidden parameters of a natural system that will give rise to a particular set of measurements. Recently many new approaches based upon deep learning…

Machine Learning · Computer Science 2021-10-13 Simiao Ren , Willie Padilla , Jordan Malof