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Diffractive optical elements that divide an input beam into a set of replicas are used in many optical applications ranging from image processing to communications. Their design requires time-consuming optimization processes, which, for a…

In some real world applications, such as spectrometry, functional models achieve better predictive performances if they work on the derivatives of order m of their inputs rather than on the original functions. As a consequence, the use of…

Statistics Theory · Mathematics 2011-05-04 Fabrice Rossi , Nathalie Villa-Vialaneix

Generative models show great promise for the inverse design of molecules and inorganic crystals, but remain largely ineffective within more complex structures such as amorphous materials. Here, we present a diffusion model that reliably…

Disordered Systems and Neural Networks · Physics 2026-01-21 Kai Yang , Daniel Schwalbe-Koda

Bayesian posterior inference is prevalent in various machine learning problems. Variational inference provides one way to approximate the posterior distribution, however its expressive power is limited and so is the accuracy of resulting…

Machine Learning · Computer Science 2018-07-11 Guoqing Zheng , Yiming Yang , Jaime Carbonell

Flow-based generative models are a family of exact log-likelihood models with tractable sampling and latent-variable inference, hence conceptually attractive for modeling complex distributions. However, flow-based models are limited by…

Machine Learning · Computer Science 2019-05-09 Huadong Liao , Jiawei He , Kunxian Shu

Flow-based deep generative models learn data distributions by transforming a simple base distribution into a complex distribution via a set of invertible transformations. Due to the invertibility, such models can score unseen data samples…

Machine Learning · Computer Science 2019-06-18 Maximilian Schmidt , Marko Simic

Deep Gaussian processes (DGPs), a hierarchical composition of GP models, have successfully boosted the expressive power of their single-layer counterpart. However, it is impossible to perform exact inference in DGPs, which has motivated the…

Machine Learning · Computer Science 2021-05-27 Haibin Yu , Dapeng Liu , Yizhou Chen , Bryan Kian Hsiang Low , Patrick Jaillet

We investigate graph representation learning approaches that enable models to generalize across graphs: given a model trained using the representations from one graph, our goal is to apply inference using those same model parameters when…

Machine Learning · Computer Science 2023-02-20 Anton Amirov , Chris Quirk , Jennifer Neville

We construct a generative network for Monte-Carlo sampling in lattice field theories and beyond, for which the learning of layerwise propagation is done and optimised independently on each layer. The architecture uses physics-informed…

High Energy Physics - Lattice · Physics 2025-10-31 Friederike Ihssen , Renzo Kapust , Jan M. Pawlowski

Normalizing Flows (NFs) are powerful and efficient models for density estimation. When modeling densities on manifolds, NFs can be generalized to injective flows but the Jacobian determinant becomes computationally prohibitive. Current…

Machine Learning · Computer Science 2025-01-27 Marcello Massimo Negri , Jonathan Aellen , Volker Roth

Discrete normalizing flows are promising generative models with advantages such as analytical log-likelihood computation and end-to-end training. However, the architectural constraints to ensure invertibility and tractable Jacobian…

Machine Learning · Computer Science 2026-05-06 Jiaru Zhang , Juanwu Lu , Xiaoyu Wu , Ziran Wang , Ruqi Zhang

Solving inverse problems involving measurement noise and modeling errors requires regularization in order to avoid data overfit. Geophysical inverse problems, in which the Earth's highly heterogeneous structure is unknown, present a…

Geophysics · Physics 2022-03-31 Ali Siahkoohi , Rafael Orozco , Gabrio Rizzuti , Felix J. Herrmann

Normalizing flows can transform a simple prior probability distribution into a more complex target distribution. Here, we evaluate the ability and efficiency of generative machine learning methods to sample the Boltzmann distribution of an…

Soft Condensed Matter · Physics 2024-09-16 Gerhard Jung , Giulio Biroli , Ludovic Berthier

In materials science, the challenge of rapid prototyping materials with desired properties often involves extensive experimentation to find suitable microstructures. Additionally, finding microstructures for given properties is typically an…

Machine Learning · Computer Science 2024-05-22 Sébastien Bompas , Stefan Sandfeld

Generative models based on flow matching have attracted significant attention for their simplicity and superior performance in high-resolution image synthesis. By leveraging the instantaneous change-of-variables formula, one can directly…

Computer Vision and Pattern Recognition · Computer Science 2025-01-06 Yasi Zhang , Peiyu Yu , Yaxuan Zhu , Yingshan Chang , Feng Gao , Ying Nian Wu , Oscar Leong

The recently proposed generative flow networks (GFlowNets) are a method of training a policy to sample compositional discrete objects with probabilities proportional to a given reward via a sequence of actions. GFlowNets exploit the…

Machine Learning · Computer Science 2024-02-27 Daniil Tiapkin , Nikita Morozov , Alexey Naumov , Dmitry Vetrov

Generative models, such as the method of normalizing flows, have been suggested as alternatives to the standard algorithms for generating lattice gauge field configurations. Studies with the method of normalizing flows demonstrate the proof…

High Energy Physics - Lattice · Physics 2023-01-05 Javad Komijani , Marina K. Marinkovic

We present a generative model that is defined on finite sets of exchangeable, potentially high dimensional, data. As the architecture is an extension of RealNVPs, it inherits all its favorable properties, such as being invertible and…

Machine Learning · Computer Science 2019-09-09 Kashif Rasul , Ingmar Schuster , Roland Vollgraf , Urs Bergmann

Normalizing flows are constructed from a base distribution with a known density and a diffeomorphism with a tractable Jacobian. The base density of a normalizing flow can be parameterised by a different normalizing flow, thus allowing maps…

Machine Learning · Computer Science 2022-11-07 Samuel Klein , John Andrew Raine , Tobias Golling

In this paper we describe an adaptive refinement strategy for LR B-splines. The presented strategy ensures, at each iteration, local linear independence of the obtained set of LR B-splines. This property is then exploited in two…

Numerical Analysis · Mathematics 2020-07-15 Francesco Patrizi , Carla Manni , Francesca Pelosi , Hendrik Speleers
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