Autoregressive and recurrent networks have achieved remarkable progress across various fields, from weather forecasting to molecular generation and Large Language Models. Despite their strong predictive capabilities, these models lack a rigorous framework for addressing uncertainty, which is key in scientific applications such as PDE solving, molecular generation and Machine Learning Force Fields. To address this shortcoming we present BARNN: a variational Bayesian Autoregressive and Recurrent Neural Network. BARNNs aim to provide a principled way to turn any autoregressive or recurrent model into its Bayesian version. BARNN is based on the variational dropout method, allowing to apply it to large recurrent neural networks as well. We also introduce a temporal version of the "Variational Mixtures of Posteriors" prior (tVAMP-prior) to make Bayesian inference efficient and well-calibrated. Extensive experiments on PDE modelling and molecular generation demonstrate that BARNN not only achieves comparable or superior accuracy compared to existing methods, but also excels in uncertainty quantification and modelling long-range dependencies.

In the present work, we introduce a novel approach to enhance the precision of reduced order models by exploiting a multi-fidelity perspective and DeepONets. Reduced models provide a real-time numerical approximation by simplifying the original model. The error introduced by the such operation is usually neglected and sacrificed in order to reach a fast computation. We propose to couple the model reduction to a machine learning residual learning, such that the above-mentioned error can be learned by a neural network and inferred for new predictions. We emphasize that the framework maximizes the exploitation of high-fidelity information, using it for building the reduced order model and for learning the residual. In this work, we explore the integration of proper orthogonal decomposition (POD), and gappy POD for sensors data, with the recent DeepONet architecture. Numerical investigations for a parametric benchmark function and a nonlinear parametric Navier-Stokes problem are presented.

In this work we propose an extension of physics informed supervised learning strategies to parametric partial differential equations. Indeed, even if the latter are indisputably useful in many applications, they can be computationally expensive most of all in a real-time and many-query setting. Thus, our main goal is to provide a physics informed learning paradigm to simulate parametrized phenomena in a small amount of time. The physics information will be exploited in many ways, in the loss function (standard physics informed neural networks), as an augmented input (extra feature employment) and as a guideline to build an effective structure for the neural network (physics informed architecture). These three aspects, combined together, will lead to a faster training phase and to a more accurate parametric prediction. The methodology has been tested for several equations and also in an optimal control framework.

In the deep learning field, a convolutional neural network (CNN) [28] is one of the most important architectures, widely used in academia and industrial research. For an overview of the topic, the interested reader might refer to [30, 16, 2, 5, 52]. Despite the great success in many fields including, but not limited, to computer vision [26, 40, 22] or natural language processing [50, 11], current CNNs are constrained to structural data. Indeed, the basic building block of a CNN is a trainable filter, represented by a discrete grid, which performs cross-correlation, also known as convolution, on a discrete domain. Nevertheless, the idea behind convolution can be easily extended mathematically to unstructured domains, for reference see [18]. One possible approach for this kind of problem is the graph neural networks (GNN) [24, 49], where a graph is built starting from the topology of the discretized space.

In this work, we present GAROM, a new approach for reduced order modelling (ROM) based on generative adversarial networks (GANs). GANs have the potential to learn data distribution and generate more realistic data. While widely applied in many areas of deep learning, little research is done on their application for ROM, i.e. approximating a high-fidelity model with a simpler one. In this work, we combine the GAN and ROM framework, by introducing a data-driven generative adversarial model able to learn solutions to parametric differential equations. The latter is achieved by modelling the discriminator network as an autoencoder, extracting relevant features of the input, and applying a conditioning mechanism to the generator and discriminator networks specifying the differential equation parameters. We show how to apply our methodology for inference, provide experimental evidence of the model generalisation, and perform a convergence study of the method.

As a major breakthrough in artificial intelligence and deep learning, Convolutional Neural Networks have achieved an impressive success in solving many problems in several fields including computer vision and image processing. Real-time performance, robustness of algorithms and fast training processes remain open problems in these contexts. In addition object recognition and detection are challenging tasks for resource-constrained embedded systems, commonly used in the industrial sector. To overcome these issues, we propose a dimensionality reduction framework based on Proper Orthogonal Decomposition, a classical model order reduction technique, in order to gain a reduction in the number of hyperparameters of the net. We have applied such framework to SSD300 architecture using PASCAL VOC dataset, demonstrating a reduction of the network dimension and a remarkable speedup in the fine-tuning of the network in a transfer learning context.