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Generative Learning of the Solution of Parametric Partial Differential Equations Using Guided Diffusion Models and Virtual Observations

arXiv.org Artificial Intelligence

We introduce a generative learning framework to model high-dimensional parametric systems using gradient guidance and virtual observations. We consider systems described by Partial Differential Equations (PDEs) discretized with structured or unstructured grids. The framework integrates multi-level information to generate high fidelity time sequences of the system dynamics. We demonstrate the effectiveness and versatility of our framework with two case studies in incompressible, two dimensional, low Reynolds cylinder flow on an unstructured mesh and incompressible turbulent channel flow on a structured mesh, both parameterized by the Reynolds number. Our results illustrate the framework's robustness and ability to generate accurate flow sequences across various parameter settings, significantly reducing computational costs allowing for efficient forecasting and reconstruction of flow dynamics.


Efficient Incremental Belief Updates Using Weighted Virtual Observations

arXiv.org Artificial Intelligence

We present an algorithmic solution to the problem of incremental belief updating in the context of Monte Carlo inference in Bayesian statistical models represented by probabilistic programs. Given a model and a sample-approximated posterior, our solution constructs a set of weighted observations to condition the model such that inference would result in the same posterior. This problem arises e.g. in multi-level modelling, incremental inference, inference in presence of privacy constraints. First, a set of virtual observations is selected, then, observation weights are found through a computationally efficient optimization procedure such that the reconstructed posterior coincides with or closely approximates the original posterior. We implement and apply the solution to a number of didactic examples and case studies, showing efficiency and robustness of our approach. The provided reference implementation is agnostic to the probabilistic programming language or the inference algorithm, and can be applied to most mainstream probabilistic programming environments.


Towards physically consistent data-driven weather forecasting: Integrating data assimilation with equivariance-preserving deep spatial transformers

arXiv.org Artificial Intelligence

There is growing interest in data-driven weather prediction (DDWP), for example using convolutional neural networks such as U-NETs that are trained on data from models or reanalysis. Here, we propose 3 components to integrate with commonly used DDWP models in order to improve their physical consistency and forecast accuracy. These components are 1) a deep spatial transformer added to the latent space of the U-NETs to preserve a property called equivariance, which is related to correctly capturing rotations and scalings of features in spatio-temporal data, 2) a data-assimilation (DA) algorithm to ingest noisy observations and improve the initial conditions for next forecasts, and 3) a multi-time-step algorithm, which combines forecasts from DDWP models with different time steps through DA, improving the accuracy of forecasts at short intervals. To show the benefit/feasibility of each component, we use geopotential height at 500~hPa (Z500) from ERA5 reanalysis and examine the short-term forecast accuracy of specific setups of the DDWP framework. Results show that the equivariance-preserving networks (U-STNs) clearly outperform the U-NETs, for example improving the forecast skill by $45\%$. Using a sigma-point ensemble Kalman (SPEnKF) algorithm for DA and U-STN as the forward model, we show that stable, accurate DA cycles are achieved even with high observation noise. The DDWP+DA framework substantially benefits from large ($O(1000)$) ensembles that are inexpensively generated with the data-driven forward model in each DA cycle. The multi-time-step DDWP+DA framework also shows promises, e.g., it reduces the average error by factors of 2-3.


Gaussian Process Neurons Learn Stochastic Activation Functions

arXiv.org Machine Learning

We propose stochastic, non-parametric activation functions that are fully learnable and individual to each neuron. Complexity and the risk of overfitting are controlled by placing a Gaussian process prior over these functions. The result is the Gaussian process neuron, a probabilistic unit that can be used as the basic building block for probabilistic graphical models that resemble the structure of neural networks. The proposed model can intrinsically handle uncertainties in its inputs and self-estimate the confidence of its predictions. Using variational Bayesian inference and the central limit theorem, a fully deterministic loss function is derived, allowing it to be trained as efficiently as a conventional neural network using mini-batch gradient descent. The posterior distribution of activation functions is inferred from the training data alongside the weights of the network. The proposed model favorably compares to deep Gaussian processes, both in model complexity and efficiency of inference. It can be directly applied to recurrent or convolutional network structures, allowing its use in audio and image processing tasks. As an preliminary empirical evaluation we present experiments on regression and classification tasks, in which our model achieves performance comparable to or better than a Dropout regularized neural network with a fixed activation function. Experiments are ongoing and results will be added as they become available.