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Parameterized quantum circuits have been extensively used as the basis for machine learning models in regression, classification, and generative tasks. For supervised learning, their expressivity has been thoroughly investigated and several…
With the development of artificial intelligence, simulation-based optimization problems, which present a significant challenge in the process systems engineering community, are increasingly being addressed with the surrogate-based…
Probabilistic circuits (PCs) are models that allow exact and tractable probabilistic inference. In contrast to neural networks, they are often assumed to be well-calibrated and robust to out-of-distribution (OOD) data. In this paper, we…
Probabilistic graphical models are powerful mathematical formalisms for machine learning and reasoning under uncertainty that are widely used for cognitive computing. However they cannot be employed efficiently for large problems (with…
Inference scaling methods for LLMs often rely on decomposing problems into steps (or groups of tokens), followed by sampling and selecting the best next steps. However, these steps and their sizes are often predetermined or manually…
Large-scale interconnected uncertain systems commonly have large state and uncertainty dimensions. Aside from the heavy computational cost of solving centralized robust stability analysis techniques, privacy requirements in the network can…
The characterization of quantum processes is a key tool in quantum information processing tasks for several reasons: on one hand, it allows to acknowledge errors in the implementations of quantum algorithms; on the other, it allows to…
Uncertainty quantification (UQ) is critical for assessing the reliability of machine learning interatomic potentials (MLIPs) in molecular dynamics (MD) simulations, identifying extrapolation regimes and enabling uncertainty-aware workflows…
We describe a representation and a set of inference methods that combine logic programming techniques with probabilistic network representations for uncertainty (influence diagrams). The techniques emphasize the dynamic construction and…
Denoising Diffusion Probabilistic Models (DDPMs) are a very popular class of deep generative model that have been successfully applied to a diverse range of problems including image and video generation, protein and material synthesis,…
Most of the fundamental, emergent, and phenomenological parameters of particle and nuclear physics are determined through parametric template fits. Simulations are used to populate histograms which are then matched to data. This approach is…
Physics-Informed Neural Networks (PINNs) are a novel computational approach for solving partial differential equations (PDEs) with noisy and sparse initial and boundary data. Although, efficient quantification of epistemic and aleatoric…
We introduce a deep neural network based method for solving a class of elliptic partial differential equations. We approximate the solution of the PDE with a deep neural network which is trained under the guidance of a probabilistic…
Simulating multi-scale phenomena such as turbulent fluid flows is typically computationally very expensive. Filtering the smaller scales allows for using coarse discretizations, however, this requires closure models to account for the…
Parameterized quantum circuits (PQCs), as one of the most promising schemes to realize quantum machine learning algorithms on near-term quantum computers, have been designed to solve machine earning tasks with quantum advantages. In this…
Neural operators (NOs) provide fast, resolution-invariant surrogates for mapping input fields to PDE solution fields, but their predictions can exhibit significant epistemic uncertainty due to finite data, imperfect optimization, and…
Predicting the output of quantum circuits is a hard computational task that plays a pivotal role in the development of universal quantum computers. Here we investigate the supervised learning of output expectation values of random quantum…
To provide robustness of distributed model predictive control (DMPC), this work proposes a robust DMPC formulation for discrete-time linear systems subject to unknown-but-bounded disturbances. Taking advantage of the structure of certain…
Inverse problems, particularly those governed by Partial Differential Equations (PDEs), are prevalent in various scientific and engineering applications, and uncertainty quantification (UQ) of solutions to these problems is essential for…
The calibration of complex computer codes using uncertainty quantification (UQ) methods is a rich area of statistical methodological development. When applying these techniques to simulators with spatial output, it is now standard to use…